Class P.patens Cold P.patens Cold P.patens Cold Blank Blank IS IS QC QC QC QC QC QC QC Blank Bryum RT Bryum RT Bryum RT Bryum Cold Bryum Cold Bryum Cold P.patens RT P.patens RT P.patens RT NA NA NA NA NA NA NA NA NA NA NA NA NA NA File type Sample Sample Sample Blank Blank Standard Standard QC QC QC QC QC QC QC Sample Sample Sample Sample Sample Sample Sample Sample Sample Sample NA NA NA NA NA NA NA NA NA NA NA NA NA NA Injection order 15 16 17 18 19 20 21 1 2 3 10 11 23 24 15 4 5 6 7 8 9 12 13 14 NA NA NA NA NA NA NA NA NA NA NA NA NA NA Batch ID 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Average Average Average Average Average Average Average Stdev Stdev Stdev Stdev Stdev Stdev Stdev Alignment ID Average Rt(min) Average Mz Metabolite name Adduct type Post curation result Fill % MS/MS assigned Reference RT Reference m/z Formula Ontology INCHIKEY SMILES Annotation tag (VS1.0) RT matched m/z matched MS/MS matched Comment Manually modified for quantification Manually modified for annotation Isotope tracking parent ID Isotope tracking weight number Total score RT similarity Dot product Reverse dot product Fragment presence % S/N average Spectrum reference file name MS1 isotopic spectrum MS/MS spectrum P. cold 1 P. cold 2 P. cold 3 Extraction blank 1 Extraction blank 2 IS 1 IS 2 QC-1 QC-2 QC-3 QC-4 QC-5 QC-6 QC-7 Blank 1 B. room temp 1 B. room temp 2 B. room temp 3 B. cold 1 B. cold 2 B. cold 3 P. room temp 1 P. room temp 2 P. room temp 3 Blank IS Bryum RT Bryum Cold P.patens RT P.patens Cold QC Blank IS Bryum RT Bryum Cold P.patens RT P.patens Cold QC 0 7.306 115.24892 Unknown [M-H]- ion correlated with 3; similar chromatogram in higher mz_2 0.458 False null null null null null null 999 False False False False False null null null null null null null 85.25 P. cold 1 115.24935:4010 116.2527:0 117.25606:0 26011 25893 28327 0 0 0 0 17725 16529 18470 17813 17243 16991 17116 0 26436 31744 12087 13600 28359 30563 30099 27067 32693 0 0 23422.3079427083 24174.1451822917 29953.0032552083 26743.62890625 17412.2991071429 0 0 10168.9198813292 9223.45642738812 2815.9324171279 1372.59446763084 639.181985103823 1 7.303 115.45486 Unknown [M-H]- ion correlated with 2 0.75 False null null null null null null 999 False False False False False null null null null null null null 107.85 P. cold 1 115.4553:6287 116.45865:0 117.46201:0 39325 37815 39916 0 0 0 0 26414 26272 26783 24962 26193 25086 25522 0 37275 45523 16552 19442 43438 45658 42824 40192 46265 0 0 33116.6373697917 36179.3131510417 43093.53515625 39018.875 25890.3850446429 0 0 14925.9811962293 14537.16094255 3045.83511846307 1083.56406758531 701.553465050764 2 7.303 115.66081 Unknown [M-H]- ion correlated with 1 0.75 False null null null null null null 999 False False False False False null null null null null null null 102.09 P. cold 1 115.66034:5761 116.66369:0 117.66705:0 36474 35589 38518 0 0 0 0 24961 22896 23988 24095 24195 23829 25436 0 36284 44266 17133 19181 41447 43935 41685 36872 43874 0 0 32560.796875 34854.361328125 40810.3815104167 36860.4661458333 24199.8214285714 0 0 13944.1301913533 13630.4002274106 3582.14559895636 1501.91658534233 816.555465998355 3 7.305 115.8658 Unknown [M-H]- ion correlated with 0 0.417 False null null null null null null 999 False False False False False null null null null null null null 84.59 P. cold 1 115.86591:3940 116.86926:0 117.87262:0 24309 24934 27033 0 0 0 0 17109 16335 16966 16821 16740 16481 17821 0 25015 30757 12212 12906 28256 29621 28021 25093 31495 0 0 22661.23828125 23594.5266927083 28202.7604166667 25425.5345052083 16896.1770368304 0 0 9494.23091808523 9281.44092268855 3205.12171984387 1426.61079618573 486.81273640464 4 6.443 123.97879 Unknown [M-H]- ion correlated with 6; ion correlated with 7; similar chromatogram in higher mz_5; similar chromatogram in higher mz_6; similar chromatogram in higher mz_7 0.208 False null null null null null null 999 False False False False False null null null null null null null 69.24 B. room temp 2 123.97879:3866 124.98214:0 125.9855:0 2572 2471 2480 0 0 0 0 5631 6208 6233 6021 5875 6008 5765 0 16068 18297 13014 10047 16289 15688 2804 3032 2733 0 0 15792.9397786458 14007.9046223958 2856.35384114583 2507.50317382813 5962.9404296875 0 0 2652.50426898515 3443.46803741891 156.090856635154 55.7507322326394 221.971921193419 5 6.443 124.19089 Unknown [M-H]- ion correlated with 6 0.25 False null null null null null null 999 False False False False False null null null null null null null 98.73 B. room temp 1 124.18801:5130 125.19136:0 126.19472:0 3504 3767 3702 0 0 0 0 8259 8463 8649 8538 8715 8853 8767 0 23880 27445 19342 9326 24155 23474 4510 4234 4872 0 0 23555.5397135417 18984.978515625 4538.77669270833 3657.56713867188 8606.18917410714 0 0 4061.29737744385 8371.5458388307 319.938224367391 137.106884216333 202.64110714666 6 6.441 124.40221 Unknown [M-H]- ion correlated with 5 0.25 True null null null null null null 999 False False False False False null null null null null null null 92.07 B. room temp 1 124.40105:5122 125.4044:0 126.40776:0 40.99029:66 3712 3627 3421 0 0 0 0 7749 8469 8248 8586 7923 8162 8198 0 22989 25336 18284 8684 22333 22371 3857 3982 4622 0 0 22202.720703125 17795.9163411458 4153.64143880208 3586.65397135417 8190.66838727679 0 0 3591.33782258829 7891.11896540768 410.154712811402 149.874457151794 289.954560926642 7 6.447 124.61363 Unknown [M-H]- ion correlated with 4 0.167 False null null null null null null 999 False False False False False null null null null null null null 68.99 B. room temp 2 124.61363:3847 125.61698:0 126.62034:0 2548 2614 2347 0 0 0 0 5640 5563 5439 5247 5645 5642 5916 0 16505 17486 12282 9701 15546 14889 2926 2880 3117 0 0 15424.0670572917 13378.7174479167 2974.3623046875 2503.01456705729 5584.76123046875 0 0 2765.01372905195 3201.8149841004 125.867040775307 139.11140256202 206.257771928182 14 4.53 165.0405 Unknown [M-H]- 0.083 False null null null null null null 999 False False False False False null null null null null null null 3.22 QC-7 165.0405:3082 166.04385:517 167.04721:299 352 633 422 0 0 0 188 12242 13880 14143 19783 20824 21710 21088 0 1828 10860 10295 1587 2466 18741 0 1076 1037 0 94.1137237548828 7661.25834147135 7597.7206624349 704.340494791667 469.013793945313 17667.0873325893 0 133.09690453959 5059.27931198252 9659.96655806047 610.287668437081 146.088422279225 4055.43284517905 18 3.985 189.0921 Unknown [M-H]- similar chromatogram in higher mz_326; found in higher mz's MsMs_326; similar chromatogram in higher mz_359; similar chromatogram in higher mz_411 0.542 True null null null null null null 999 False False False False False null null null null null null null 195.47 P. cold 3 189.09219:12230 190.09554:2395 191.0989:0 43.01932:88 69.03532:63 81.03534:322 83.05008:702 93.03491:36 132.0591:18 145.06744:93 173.05978:98 187.06717:19 188.96271:36 189.09154:401 189.31912:5 89206 91796 97448 0 0 0 0 48093 43043 44591 43753 44620 44019 44468 0 8980 7642 7241 9763 5503 5833 130895 134755 137367 0 0 7954.43424479167 7032.9443359375 134338.921875 92816.828125 44655.2661830357 0 0 910.86409657842 2370.0757455727 3256.06157298062 4215.14119850133 1616.43301004762 19 1.259 197.11867 Unknown [M-H]- ion correlated with 283; similar chromatogram in higher mz_109 0.5 True null null null null null null 999 False False False False False null null null null null null null 140.89 P. cold 1 197.11867:13546 198.12202:2370 199.12538:248 59.0149:54 71.05066:72 97.06532:204 97.24133:11 97.52094:27 99.08155:77 126.03067:84 137.09779:37 152.65582:29 153.09821:64 153.12807:3227 153.17784:11 153.19473:10 153.23701:12 153.25412:8 153.29262:29 153.39946:6 157.08488:56 179.06873:20 179.10722:691 197.11971:99 90650 89357 79203 0 0 0 0 32882 28574 27932 31988 29310 28305 29510 0 17452 15376 18518 10996 16338 13759 70839 52843 69542 0 0 17115.4375 13697.8349609375 64408.0716145833 86403.4505208333 29785.8180803571 0 0 1597.69882012619 2671.66937360063 10036.188879122 6268.87091305575 1907.93278185997 21 1.651 207.13965 Unknown [M-H]- similar chromatogram in higher mz_350 0.542 True null null null null null null 999 False False False False False null null null null null null null 194.13 P. cold 1 207.1393:12871 208.14265:1914 209.14601:0 41.00373:85 43.01935:62 68.98062:31 69.02093:33 69.03511:348 71.05079:8 80.02637:17 91.05598:16 93.03504:61 95.05227:28 97.02785:109 105.51181:28 110.03611:122 121.02332:77 136.05527:34 136.55193:14 139.11229:783 139.25436:8 139.29922:9 141.09944:15 145.10059:44 151.11372:40 163.07478:18 163.11365:207 177.12216:40 178.0984:30 179.14211:41 189.12852:78 207.09477:30 207.13824:2165 207.18925:13 207.25392:5 207.45296:18 207.49774:9 207.60228:10 87978 85199 108965 0 82 0 0 28679 27206 27471 27144 27089 25212 24427 0 9855 12811 7147 9538 12071 15215 143458 165363 132503 27.3922602335612 0 9937.63932291667 12274.5960286458 147107.619791667 94047.4270833333 26746.8507254464 47.4447864586765 0 2832.64414685691 2843.85075422347 16731.2464304016 12993.2272051579 1442.13162647548 31 2.094 239.20142 FA 15:1 [M-H]- 0.25 True 5.35 239.20171 C15H28O2 FA DJCQJZKZUCHHAL-UHFFFAOYSA-N O=C(O)CCCCCCCC=CCCCCC 410 True True True False False null null 100 99.9 66.5 75 100 29.95 B. cold 3 239.20158:3966 240.20493:668 241.20829:0 59.00149:18 59.0129:110 155.12379:22 223.00339:19 239.16895:28 239.20135:905 239.27599:19 239.36136:7 239.58595:11 239.69293:25 0 0 0 0 0 0 0 16768 15357 14186 14242 15358 14270 14305 0 26398 25164 24238 30776 24239 29081 0 0 230 0 0 25266.78515625 28031.9915364583 76.8041636149089 0 14926.6994977679 0 0 1083.84898494119 3392.17447176776 133.028713613855 0 965.777723935958 33 1.717 249.18683 FA 16:3 [M-H]- similar chromatogram in higher mz_148 0.792 True 4.68 249.186 C16H26O2 FA KBGYPXOSNDMZRV-UHFFFAOYSA-N O=C(O)CCCCCC=CCC=CCC=CCC 410 True True True False False null null 100 100 73.9 75 100 2865.05 QC-4 249.18636:135378 250.18971:27205 251.19307:1940 41.03936:192 45.07173:6 59.01387:458 67.05422:32 83.04975:23 85.02949:60 87.00219:51 95.08594:90 111.04453:36 125.09708:38 129.08591:30 141.09937:8 151.14165:54 155.10324:22 164.96291:14 177.09451:43 177.14638:15 177.16359:78 205.12587:89 205.14581:31 205.15994:24 205.19498:457 205.58086:18 207.46799:16 231.1254:7 231.15692:23 231.17474:148 247.17062:104 247.9039:7 248.42644:10 248.97308:253 249.07481:6 249.18605:33473 249.37152:39 249.40511:28 249.42957:27 249.46066:39 249.51225:59 249.58075:92 249.59383:39 249.63652:25 249.65784:45 113193 118803 114375 0 0 0 0 1220946 1093080 1061880 1008062 998718 1014277 1010040 0 2347548 2688666 2044948 1174369 2478901 1811608 180428 176239 168121 0 0 2360387.54166667 1821626.08333333 174929.489583333 115456.9921875 1058143.45535714 0 0 322051.084924289 652323.694567751 6257.52198181234 2957.69065172002 79600.0482547006 35 2.014 251.20367 FA 16:2 [M-H]- similar chromatogram in higher mz_440; adduct linked to 306_[2M-H]-; found in higher mz's MsMs_306; similar chromatogram in higher mz_275 0.792 True 5.18 251.20171 C16H28O2 FA RVEKLXYYCHAMDF-UHFFFAOYSA-N O=C(O)CCCCCCCC=CCC=CCCC 410 True True True False False null null 100 99.9 75 75 100 5424.62 P. cold 3 251.20175:15845 252.2051:3571 253.20846:354 45.00415:7 250.01965:10 251.14384:40 251.20132:5158 251.25598:20 251.28186:28 251.33812:7 251.44772:22 251.50252:18 251.5354:30 251.60117:17 251.63406:18 116945 113516 116690 0 0 0 0 3086364 2794572 2730668 2673967 2667969 2604442 2635115 0 5050649 5184608 4553580 4629390 4722200 4613892 247860 238354 222193 0 0 4929612.66666667 4655160.33333333 236135.859375 115717.140625 2741871.07142857 0 0 332470.193680702 58572.438288698 12976.5166513997 1910.24188038189 164283.624798745 36 2.353 253.21701 FA 16:1 [M-H]- 0.25 True 5.71 253.2173 C16H30O2 FA SECPZKHBENQXJG-UHFFFAOYSA-N O=C(O)CCCCCCCC=CCCCCCC 410 True True True True False null null 100 99.9 75 75 100 85.35 P. cold 3 253.21725:6913 254.2206:1518 255.22396:9006 253.21648:2304 253.29111:16 253.47879:11 253.52885:20 253.60039:19 59295 58099 57087 2108 1995 745 1698 1283421 1189993 1143819 1078153 1076444 1105253 1083954 0 2329506 2386228 2044018 2015133 2018350 2088116 77010 79325 74869 1367.78434244792 1221.65963745117 2253250.45833333 2040532.625 77067.9088541667 58160.2747395833 1137290.98214286 1185.88565822012 673.545665162759 183406.83179156 41239.3570044518 2228.52221997728 1105.30633845418 76643.3405321644 37 2.287 253.21809 FA 16:1 [M-H]- 0.542 True 5.71 253.2173 C16H30O2 FA SECPZKHBENQXJG-UHFFFAOYSA-N O=C(O)CCCCCCCC=CCCCCCC 410 True True True False False null null 100 99.9 75 75 100 1581.25 QC-1 253.21767:129511 254.22102:22050 255.22438:7987 252.11134:29 253.21664:11847 253.2973:72 253.34183:24 253.39671:43 253.41159:31 253.45734:38 253.49034:18 253.52335:30 253.55637:19 253.58415:34 253.60643:21 253.64534:22 3405 3039 60034 0 0 0 0 1304511 1209640 1162707 1084968 1095484 1110854 1099292 0 2341784 2395982 2057262 2025098 2027546 2117817 7807 7359 79159 0 0 2265009.41666667 2056820 31441.4503580729 22159.5013020833 1152493.625 0 0 181943.922336034 52838.9137749999 41325.087703163 32801.0841895801 80470.8331356901 56 3.013 255.23546 FA 16:0 [M-H]- similar chromatogram in higher mz_99; found in higher mz's MsMs_337; adduct linked to 323_[2M-H]-; found in higher mz's MsMs_430; found in higher mz's MsMs_422; found in higher mz's MsMs_323; found in higher mz's MsMs_141; similar chromatogram in higher mz_153; found in higher mz's MsMs_153; found in higher mz's MsMs_99 0.958 True 6.14 255.233 C16H32O2 FA IPCSVZSSVZVIGE-UHFFFAOYSA-N O=C(O)CCCCCCCCCCCCCCC 410 True True True False False null null 100 100 75 75 100 162.93 Extraction blank 2 255.23318:67447 256.23653:8331 257.23989:653 44.99769:144 254.23528:8 254.96696:21 255.09386:6 255.12144:15 255.17274:98 255.23283:20046 255.31036:89 255.34665:38 255.39754:52 255.42667:35 255.47369:60 255.51881:20 255.57944:23 255.59441:25 255.64549:29 255.67366:27 255.71786:16 3619633 3403551 3208010 447592 581455 952144 892621 10840217 10075596 9927471 9243232 9553651 9628338 9640334 15604 13046265 14110224 12163375 12305267 13447493 12661579 4142178 3778476 4015294 348217.134114583 922382.40625 13106621.3333333 12804779.6666667 3978649.41666667 3410397.91666667 9844119.85714286 295724.987491929 42088.9843540454 974826.867925958 584422.691182789 184599.112594754 205896.906972326 514176.849441716 57 1.919 263.20148 FA 17:3 [M-H]- 0.25 True 5.16 263.20169 C17H28O2 FA FAFSAZIEJFMBBY-UHFFFAOYSA-N O=C(O)CCCCCCC=CCC=CCC=CCC 410 True True True False False null null 100 99.9 86.4 75 100 125.39 B. cold 3 263.20187:5380 264.20522:1359 265.20858:0 59.01242:59 127.07886:18 165.12772:46 220.0816:10 227.75519:5 263.1709:222 263.20041:2079 263.2486:11 263.34952:14 263.45047:13 263.51218:11 263.63519:9 275 258 338 0 0 0 0 20328 18226 18156 17473 17134 17642 16256 0 48063 56545 39833 29415 55416 38643 295 727 474 0 0 48147.0690104167 41157.935546875 498.666046142578 290.27626546224 17887.7353515625 0 0 8356.30446735337 13181.328626922 217.167488420406 41.8567726399243 1265.12872528655 59 2.296 265.21698 FA 17:2 [M-H]- 0.542 True 5.59 265.21729 C17H30O2 FA LEIXEEFBKOMCEQ-UHFFFAOYSA-N O=C(O)CCCCCCCC=CCC=CCCCC 410 True True True False False null null 100 99.9 75 75 100 269.03 B. room temp 2 265.21698:31789 266.22033:5308 267.22369:582 59.01491:23 247.20387:13 263.96198:30 265.0466:25 265.09723:9 265.14362:77 265.21698:13435 265.30316:73 265.33484:39 265.38525:26 265.42926:33 265.45178:49 265.50681:34 265.53082:22 265.56396:16 265.58627:19 265.62704:23 265.70782:16 5847 5591 5108 0 0 0 0 116282 105492 105591 89446 93237 95799 97258 0 225207 235312 203046 170933 199891 192791 8151 8455 8450 0 0 221188.239583333 187871.5625 8351.75764973958 5515.5673828125 100443.595982143 0 0 16503.8998218133 15092.7128876596 174.210944047432 375.123168014177 9196.54802762672 60 2.771 267.23343 FA 17:1 [M-H]- 0.542 True 5.96 267.233 C17H32O2 FA QSBYPNXLFMSGKH-UHFFFAOYSA-N O=C(O)CCCCCCCC=CCCCCCCC 410 True True True False False null null 100 99.9 75 75 100 560.25 QC-4 267.23288:17220 268.23623:3302 269.23959:677 223.16867:36 267.19382:243 267.23334:7316 267.32312:27 267.37411:7 267.39764:11 267.42514:29 267.45886:11 267.49277:15 267.5191:12 267.59399:39 267.63223:21 267.69086:27 15901 14756 15927 0 74 0 0 164732 144983 146192 142419 147752 148304 141353 0 319321 340544 268000 345782 345280 329703 21972 21473 19235 24.78515625 0 309288.114583333 340254.895833333 20893.443359375 15528.1009114583 147962.178571429 42.9291498985333 0 37298.1863529197 9141.62111967227 1457.6624951831 669.0096786333 7829.61296687701 61 1.377 269.12946 Unknown [M-H]- 0.125 True null null null null null null 999 False False False False False null null null null null null null 20.67 P. room temp 1 269.12912:5693 270.13247:945 271.13583:0 44.99897:37 59.01417:456 59.05457:10 72.9909:38 171.1387:96 186.9977:17 195.1347:25 223.10657:22 225.18622:15 254.10609:170 268.36929:12 269.08188:67 269.12912:2156 269.21191:214 269.24927:51 269.33813:10 269.44873:14 269.4686:16 269.57736:6 1641 493 10811 0 20 0 0 7241 8322 7127 7532 8250 8056 6203 0 5750 10737 9207 4093 3041 4356 39678 123721 68801 6.72083346048991 0 8564.72412109375 3829.91284179688 77400.0520833333 4314.85232543945 7532.97077287946 11.6408250227775 0 2554.48248341724 695.945510840463 42676.3722034043 5654.93014211906 756.013580884706 62 1.501 269.21234 w/o MS2:FA 16:1;(2OH) [M-H]- adduct linked to 120_[M+FA-H]- 0.542 False 5.3 269.21219 C16H30O3 OxFA MFMJWERISIRPMN-UHFFFAOYSA-N O=C(O)C(O)CCCCCCC=CCCCCCC 530 True True False False False null null 100 99.9 null null null 18.34 B. cold 1 269.21234:4419 270.21569:878 271.21905:552 11167 6999 13917 73 119 958 576 54221 51831 47675 50360 48510 49015 51259 0 44464 45736 55443 45552 47664 44879 35418 24293 24702 64.0374374389648 767.057006835938 48547.8515625 46031.8333333333 28137.271484375 10694.3968098958 50410.1841517857 59.8900063904508 270.059461379235 6005.57855377896 1453.43213779027 6308.1845995861 3482.95225862595 2247.4883353858 64 3.435 269.24918 FA 17:0 [M-H]- 0.833 True 6.45 269.2486 C17H34O2 FA KEMQGTRYUADPNZ-UHFFFAOYSA-N O=C(O)CCCCCCCCCCCCCCCC 410 True True True False False null null 100 100 74.3 75 100 394.65 B. cold 3 269.2489:41506 270.25225:8080 271.25561:714 59.01354:672 59.13685:18 78.96052:32 136.98837:31 182.97797:27 209.06863:33 266.3576:26 267.6958:24 267.79758:14 267.98645:11 269.10641:19 269.24835:15059 269.33246:26 269.3511:43 269.40024:26 269.42291:65 269.45129:33 269.48526:27 269.50232:52 269.54178:8 269.55905:28 269.60324:17 269.63776:42 269.65552:58 269.6955:29 269.71793:16 106089 109332 47038 3651 13796 54584 24438 290914 262424 273414 254152 259716 213736 264283 144 345022 448135 438463 326484 380195 330238 77413 66627 71010 5863.45630900065 39511.041015625 410540.03125 345638.9375 71683.140625 87486.2473958333 259805.6875 7089.56217035346 21316.758671274 56945.6795047424 29985.3870123478 5424.43578532471 35066.960154731 23573.3848200902 65 1.63 271.228 FA 16:0;(2OH) [M-H]- similar chromatogram in higher mz_630; similar chromatogram in higher mz_1025; similar chromatogram in higher mz_1043 0.792 True 5.67 271.22791 C16H32O3 OxFA KMEKMXBMYZGGDT-UHFFFAOYSA-N O=C(O)CCCCCCC(O)CCCCCCCC 410 True True True False False null null 100 99.9 66.4 75 100 208.1 QC-4 271.22809:9928 272.23144:2122 273.2348:232 225.22211:323 225.27245:5 253.21539:58 269.21375:18 271.09872:27 271.11691:12 271.1839:92 271.22775:2697 271.29779:8 271.34332:10 271.47437:7 271.50848:11 271.56009:7 271.63901:6 75019 73491 61851 170 162 1022 268 128862 129743 125628 110172 112527 116486 109385 0 162975 164771 123567 164664 167083 171693 131389 100121 100522 110.454874674479 644.995391845703 150437.682291667 167813.416666667 110677.471354167 70120.3645833333 118971.910714286 95.7343912769275 533.345949828054 23288.2188699375 3570.81003762289 17937.8968382108 7201.99632321707 8899.61689108482 66 1.546 273.18594 w/o MS2:FA 18:5 [M-H]- similar chromatogram in higher mz_458 0.125 False 5.1 273.186 C18H26O2 FA LYJOUWBWJDKKEF-UHFFFAOYSA-N O=C(O)CC=CCC=CCC=CCC=CCC=CCC 530 True True False False False null null 100 99.9 null null null 123.74 B. cold 2 273.18594:11298 274.18929:2640 275.19265:530 0 0 0 0 0 0 0 14796 13143 15595 14238 13410 13421 12770 0 26258 26364 14909 3470 80448 25052 0 0 0 0 0 22510.3248697917 36323.2697753906 0 0 13910.4095982143 0 0 6583.17620639465 39707.2794409176 0 0 1008.82379767044 67 1.796 275.2023 FA 18:4 [M-H]- 0.542 True 5.21 275.20169 C18H28O2 FA JIWBIWFOSCKQMA-UHFFFAOYSA-N O=C(O)CCCCC=CCC=CCC=CCC=CCC 410 True True True False False null null 100 99.9 66 75 100 575.38 QC-1 275.20135:18705 276.2047:3853 277.20806:411 41.03718:40 59.01236:80 113.36673:9 177.16409:60 206.14153:17 231.21046:131 275.04932:14 275.1427:25 275.20059:1499 275.61273:12 4217 61 4873 0 0 0 0 178524 168944 163600 149259 145221 149858 155774 0 428720 493560 304063 184329 666221 368252 6911 5796 7598 0 0 408781.28125 406267.286458333 6768.22672526042 3050.49885304769 158739.915178571 0 0 96309.2660658393 243185.045366517 909.172120086525 2609.60704925304 12106.9000157128 68 2.169 277.21942 FA 18:3 [M-H]- similar chromatogram in higher mz_481; found in higher mz's MsMs_360; found in higher mz's MsMs_481 0.792 True 5.58 277.21729 C18H30O2 FA DTOSIQBPPRVQHS-UHFFFAOYSA-N O=C(O)CCCCCCCC=CCC=CCC=CCC 410 True True True False False null null 100 99.9 75 75 100 6172.43 P. cold 2 277.2175:111182 278.22085:21717 279.22421:1965 59.01381:90 67.0543:44 71.01298:20 135.33073:5 141.09138:29 182.12843:25 205.12492:28 205.20972:24 233.18954:45 233.22649:51 259.20502:43 275.19955:145 275.57202:16 275.73267:25 275.87039:11 275.94501:8 276.05502:11 276.10345:20 277.04819:35 277.10571:38 277.14417:241 277.21729:34828 277.41605:29 277.47131:33 277.50253:33 277.5488:85 277.63184:35 277.67917:38 277.70227:33 754131 785193 760221 371 755 1411 1114 7270768 6654002 6511510 6173466 6126204 6055119 6236964 140 9876648 10607053 9147373 6586066 10431243 8910025 1008900 973779 953290 422.284840901693 1262.6337890625 9877024.66666667 8642444.5 978656.5625 766514.708333333 6432576.21428571 310.553860523161 210.242042891015 729840.072898394 1936503.80702227 28124.3197160088 16459.696083627 428090.0874955 69 2.597 279.23523 FA 18:2 [M-H]- adduct linked to 130_[M+FA-H]-; adduct linked to 365_[2M-H]-; similar chromatogram in higher mz_207; similar chromatogram in higher mz_410; similar chromatogram in higher mz_448; similar chromatogram in higher mz_538; found in higher mz's MsMs_538; found in higher mz's MsMs_365; found in higher mz's MsMs_488; similar chromatogram in higher mz_250 0.792 True 6.04 279.233 C18H32O2 FA OYHQOLUKZRVURQ-UHFFFAOYSA-N O=C(O)CCCCCCCC=CCC=CCCCCC 410 True True True False False null null 100 99.9 75 75 100 7458.95 P. cold 3 279.23364:199568 280.23699:46308 281.24035:4413 168.11247:32 261.22552:46 262.22723:21 277.3129:17 277.70377:13 277.9516:14 278.21606:11 278.29773:15 278.55795:10 278.68369:9 279.0361:25 279.23358:76234 279.62613:29 279.66119:38 279.70911:43 1500562 1512275 1516233 4164 5736 6956 6400 7475277 6973644 6895225 6751934 6786720 6680892 6722680 373 10589321 11166852 9699736 8968458 10671580 9808940 2074326 2147312 2016468 3424.13100179036 6677.99243164063 10485303 9816326 2079368.66666667 1509689.875 6898053.07142857 2757.13271837933 393.17657482948 739068.432289595 851585.023041152 65567.6784985766 8148.8818510195 274034.691152025 70 3.143 281.25006 FA 18:1 [M-H]- similar chromatogram in higher mz_699; similar chromatogram in higher mz_767; adduct linked to 132_[M+FA-H]-; adduct linked to 376_[2M-H]-; similar chromatogram in higher mz_163; similar chromatogram in higher mz_191; similar chromatogram in higher mz_496; found in higher mz's MsMs_496; found in higher mz's MsMs_376; found in higher mz's MsMs_489 0.958 True 6.41 281.2486 C18H34O2 FA ZQPPMHVWECSIRJ-UHFFFAOYSA-N O=C(O)CCCCCCCC=CCCCCCCCC 410 True True True False False null null 100 99.9 75 75 100 1903.35 P. room temp 1 281.24869:46356 282.25204:10844 283.2554:6977 280.79901:13 281.15231:22 281.17636:84 281.24896:14930 281.30835:90 281.34149:37 281.39014:23 281.43719:37 281.46118:41 281.48846:36 281.52325:43 281.55145:17 281.57254:23 281.62231:17 281.64792:30 281.68271:14 281.69977:32 281.73895:14 435905 422002 419740 42094 44099 49878 67776 3460818 3345475 3207888 3005534 3009096 2945688 3030836 2091 5933308 6227908 5071888 5104346 5587347 5265871 377965 395177 392264 29427.9157714844 58827.23828125 5744367.83333333 5319188.16666667 388468.645833333 425882.3125 3143619.25 23695.2589638156 12655.5927716229 600723.422483536 245874.787129716 9212.52465833355 8753.08602873108 197716.969155933 88 1.733 287.22302 w/o MS2:FA 16:0;2O [M-H]- 0.042 True 5.46 287.22281 C16H32O4 OxFA BOVBNBWBCCWHEP-UHFFFAOYSA-N O=C(O)CCCCCCC(O)CCCCCCCCO 530 True True False False False null null 100 99.9 null null null 147.05 B. cold 1 287.22302:30102 288.22637:4344 289.22973:510 43.01089:11 47.01319:95 56.99892:74 58.00532:33 75.00993:225 137.13448:50 209.19382:11 211.19566:27 223.20885:32 239.20752:14 241.21625:74 243.20483:41 272.78055:36 285.57419:15 287.01312:17 287.22321:9539 287.30487:33 287.33344:13 287.36115:11 287.42386:22 287.48447:14 287.54507:17 287.59195:24 287.633:25 287.65054:35 287.69476:12 0 0 0 41 0 0 0 74808 72861 80510 66612 67193 78882 83157 0 439840 378311 353101 640097 421956 149253 2179 245 0 13.6148745218913 0 390417.572916667 403768.78125 808.123524983724 0 74860.5959821429 23.5816544105907 0 44618.5515746364 245926.74750492 1193.57545126395 0 6425.75283145583 89 1.394 287.2236 FA 16:0;2O [M-H]- adduct linked to 399_[2M-H]-; found in higher mz's MsMs_399 0.542 True 5.46 287.22281 C16H32O4 OxFA BOVBNBWBCCWHEP-UHFFFAOYSA-N O=C(O)CCCCCCC(O)CCCCCCCCO 410 True True True False False null null 100 99.9 74.4 75 100 4131.57 QC-3 287.22345:151008 288.2268:26441 289.23016:2364 43.0192:64 44.997:137 47.0136:679 56.9986:428 72.9924:186 73.99997:57 75.00874:1603 75.03613:9 75.20833:19 75.31325:8 75.84319:52 140.42799:32 183.17368:36 197.19106:23 211.20863:40 223.20641:133 241.21661:362 241.57533:8 265.4744:11 269.20889:51 285.30042:7 285.40518:5 285.55109:6 285.63269:16 285.66367:9 285.78464:12 286.12946:10 286.16428:19 286.92493:9 286.94247:22 287.02444:8 287.05957:28 287.1181:57 287.22345:49961 287.55869:75 287.58972:21 287.62991:46 287.65125:60 287.68158:23 112 27 0 30 0 0 0 3442493 2964315 3013215 3001521 2913343 2995725 3070507 36 5725668 3755497 3914206 5736242 5971494 6696752 7379 412 0 22.0146045684814 0 4465123.5 6134829.5 2597.00089518229 46.0735931396484 3057302.64285714 19.2825397856384 0 1094543.52066158 500652.70042116 4146.51625141842 58.3230476201995 176429.514771118 90 2.137 289.21765 FA 19:4 [M-H]- ion correlated with 403 0.542 True 5.58 289.21729 C19H30O2 FA WGHAFGFVXFHPLK-UHFFFAOYSA-N O=C(O)CCCCCC=CCC=CCC=CCC=CCC 410 True True True False False null null 100 99.9 65 75 100 153.37 B. room temp 3 289.2175:9178 290.22085:2362 291.22421:0 59.01255:168 75.01059:16 93.06882:18 105.06639:26 121.1036:16 151.11095:40 191.14487:27 191.17999:69 193.08456:48 203.03046:22 203.31902:19 245.22749:159 245.2626:5 271.20767:12 289.13556:15 289.21765:2199 289.29874:14 289.4353:24 0 0 255 0 0 0 0 46350 35894 39584 38988 38943 37107 37365 0 81438 83912 69477 64334 80963 72621 530 689 291 0 0 78275.3697916667 72639.3138020833 503.396311442057 85.1439005533854 39176.04296875 0 0 7719.77184389919 8314.34166268987 200.104608864835 147.473561713055 3417.13776948553 91 1.215 291.19763 FA 18:4;O [M-H]- adduct linked to 413_[2M-H]-; similar chromatogram in higher mz_551; found in higher mz's MsMs_413; similar chromatogram in higher mz_585 0.583 True 4.69 291.19659 C18H28O3 OxFA JZPSRJYCHQSSRG-UHFFFAOYSA-N O=C(O)CCCC(O)C=CCC=CCC=CCC=CCC 410 True True True False False null null 100 99.9 71.3 75 100 3181.44 QC-1 291.19733:390952 292.20068:80571 293.20404:7619 59.01312:198 97.0646:63 106.04273:32 113.06174:89 119.05138:6 121.10276:68 125.06189:67 126.54711:8 127.11132:45 139.07542:60 141.02065:36 141.07932:7 141.09181:181 148.08963:117 149.09483:15 150.1049:94 151.1066:16 163.11349:92 165.12819:4272 165.16785:18 165.19005:6 165.26556:18 165.29578:14 165.31981:6 165.38199:6 165.4603:27 165.50166:7 166.1329:25 175.11414:88 176.12135:110 177.29817:16 179.13795:49 191.14458:56 193.15155:46 202.09846:73 203.15112:54 204.11761:7 207.10527:25 217.15814:30 219.17268:12 229.19696:39 245.1918:39 245.46678:11 247.07838:24 247.11389:23 247.20642:3248 247.29031:10 247.3392:5 247.37173:10 247.4978:6 247.56705:18 247.62708:8 250.22525:6 255.08298:20 263.06406:24 271.16769:42 273.13858:95 273.18594:2388 273.26199:13 273.31149:5 273.35709:11 273.39713:12 273.47708:7 273.52853:19 273.62003:11 273.67712:15 280.37152:21 289.27014:25 289.35831:25 289.39948:12 289.45236:20 289.50528:7 289.54178:6 289.58759:14 289.617:9 289.655:13 289.68747:10 289.76981:23 289.8168:16 289.84052:15 289.87408:19 289.94052:79 290.00482:9 290.06955:7 290.21835:6 290.27197:25 290.37018:13 290.4585:14 290.7962:11 290.85321:21 290.90894:22 290.95248:25 290.97263:40 291.0014:63 291.0444:61 291.19702:145073 38736 32650 24406 2392 0 0 0 4317156 3800520 3747688 3593891 3455226 3650463 3504832 136 6555864 5311717 5119661 5047718 5967232 6193398 45088 9422 28792 842.505945841471 0 5662413.83333333 5736115.83333333 27767.5732421875 31930.8587239583 3724253.64285714 1343.5589921374 0 779686.223383537 606799.745628105 17855.0016126275 7192.39012921024 288923.564519986 92 1.318 293.21222 w/o MS2:FA 18:3;(2OH) [M-H]- 0.042 False 5.39 293.21219 C18H30O3 OxFA JQXGCBKGIBTCHY-UHFFFAOYSA-N O=C(O)C(O)CCCCCCC=CCC=CCC=CCC 530 True True False False False null null 100 99.9 null null null 89.17 B. room temp 1 293.21222:27023 294.21557:4744 295.21893:775 11180 9935 8185 0 0 0 0 141994 110236 128445 132278 98740 131587 118930 0 288385 169266 167942 145280 205974 197283 58754 3113 48419 0 0 208530.979166667 182845.515625 36761.7118326823 9766.6533203125 123173.011160714 0 0 69158.5904123033 32821.2154811065 29595.5620268043 1504.36258549847 14821.3564640228 93 1.427 293.21228 FA 18:3;O [M-H]- 0.708 True 5.29 293.21219 C18H30O3 OxFA NFIYYIXFARWVBH-UHFFFAOYSA-N O=C(O)CCCCCCC(O)C=CCC=CCC=CCC 410 True True True False False null null 100 99.9 83.3 75 100 35.65 P. room temp 1 293.2117:6821 294.21505:1413 295.21841:1990 79.95535:38 92.02798:9 96.025:5 113.09456:59 125.09722:40 167.1048:50 177.1246:6 181.12717:18 183.1299:51 221.15465:33 233.05856:54 236.1048:105 249.21158:8 275.19925:47 292.32178:18 293.12195:22 293.17975:1991 293.21082:2491 293.25601:32 293.29257:7 293.35706:17 293.3855:14 293.4454:10 293.5618:23 293.64154:29 28522 28700 22806 47 0 0 0 146921 150066 128704 114647 127338 110644 127624 0 177431 211182 204784 159219 146011 162757 58754 34617 48419 15.5635528564453 0 197799.1875 155995.463541667 47263.0481770833 26676.07421875 129420.466517857 26.956864293647 0 17927.026754106 8825.99817639069 12109.9951158517 3352.84926781854 14784.0159120851 94 2.941 293.2489 FA 19:2 [M-H]- similar chromatogram in higher mz_362 0.542 True 6.43 293.2486 C19H34O2 FA BFXHARLBAGKNRH-UHFFFAOYSA-N O=C(O)CCCCCCCC=CCC=CCCCCCC 410 True True True False False null null 100 99.9 75 75 100 53.04 B. room temp 1 293.24884:31306 294.25219:8725 295.25555:1128 36.96656:30 136.08861:45 193.158:43 211.1181:62 220.14435:32 221.1555:46 235.17331:11 236.10194:117 237.11143:62 275.24042:20 291.69116:19 292.37723:24 292.51205:22 292.62433:19 292.78366:34 292.96884:62 293.13077:20 293.2486:14800 293.33377:50 293.35922:60 293.3924:36 293.43076:29 293.48798:41 293.53568:27 293.57123:28 293.63519:16 293.70706:27 293.74231:16 2264 2312 2332 0 0 0 0 99016 89496 86544 82275 86332 87438 79754 0 214127 231780 170469 170919 224044 196379 4157 3445 3293 0 0 205458.541666667 197114.03125 3631.76749674479 2302.59773763021 87264.9319196429 0 0 31561.3326155955 26570.2024172457 461.356870690398 34.7504732785254 6134.6307174751 95 1.428 295.22708 w/o MS2:FA 18:2;(2OH) [M-H]- similar chromatogram in higher mz_154 0.542 False 5.82 295.22791 C18H32O3 OxFA AFDSETGKYZMEEA-UHFFFAOYSA-N O=C(O)C(O)CCCCCCC=CCC=CCCCCC 530 True True False False False null null 99.7 99.9 null null null 166.27 B. room temp 1 295.22708:12308 296.23043:2100 297.23379:344 3842 4807 1391 65 0 0 0 73753 73047 68361 61497 66116 63349 61445 0 116645 103870 107986 83023 92245 85981 18055 3316 11509 21.8271662394206 0 109500.5703125 87082.6848958333 10959.9982910156 3346.7743733724 66795.3359375 37.8057609119285 0 6520.78121197928 4708.67427310242 7385.13644931889 1760.65954927313 5147.44714529462 96 3.555 295.26483 FA 19:1 [M-H]- similar chromatogram in higher mz_363 0.542 True 6.87 295.26431 C19H36O2 FA YOKHLRHWEXTWJR-UHFFFAOYSA-N O=C(O)CCCCCCCC=CCCCCCCCCC 410 True True True False False null null 100 99.9 75 75 100 638.61 QC-1 295.26419:20252 296.26754:5129 297.2709:1097 49.63385:39 93.0354:41 223.14839:29 255.23204:37 269.25357:39 277.25003:10 293.58813:13 293.64734:11 293.70654:16 295.18295:60 295.26367:9349 295.3284:28 295.34995:30 295.38483:25 295.42044:29 295.44437:38 295.47006:31 295.50934:29 295.53323:21 295.57599:22 295.62265:46 295.68182:17 295.7056:30 295.76053:8 9213 8997 8801 0 0 0 0 163338 159732 148607 148164 146311 146164 146017 34 382695 426808 308746 375739 449691 385352 13123 9710 10113 11.2949473063151 0 372749.854166667 403593.927083333 10981.8873697917 9003.46516927083 151190.314732143 19.563422603351 0 59656.2248529473 40209.9559045886 1864.8451510438 206.320440799592 7213.39260887717 97 3.336 301.21786 FA 20:5 [M-H]- 0.792 True 5.69 301.21729 C20H30O2 FA JAZBEHYOTPTENJ-UHFFFAOYSA-N O=C(O)CCCC=CCC=CCC=CCC=CCC=CCC 410 True True True False False null null 100 100 75 75 100 595.22 B. room temp 2 301.21786:86732 302.22121:22808 303.22457:6829 43.0174:11 44.99797:673 59.01679:9 89.02361:24 241.1777:38 242.95718:7 255.19092:17 255.20972:81 255.23312:316 255.32619:13 255.42557:12 299.39545:12 299.521:11 299.62912:11 299.80814:17 299.89789:12 299.96561:14 300.02954:38 300.39801:6 300.96863:54 301.05389:18 301.09:18 301.21793:46817 301.46304:46 301.51254:116 301.56396:56 301.60498:76 301.63422:48 301.6749:57 301.71469:62 48720 45966 52967 0 0 0 0 259704 244916 237095 224043 225206 223849 230360 0 591592 646671 487316 400732 482739 436906 42165 40024 49303 0 0 575193.145833333 440125.78125 43830.7018229167 49217.6263020833 235024.685267857 0 0 80933.3936131167 41098.0677572783 4858.78375727248 3526.8298201648 13384.4708980344 98 2.062 301.21829 FA 20:5 [M-H]- similar chromatogram in higher mz_536; found in higher mz's MsMs_536 0.792 True 5.69 301.21729 C20H30O2 FA JAZBEHYOTPTENJ-UHFFFAOYSA-N O=C(O)CCCC=CCC=CCC=CCC=CCC=CCC 410 True True True False False null null 100 99.9 61.9 75 100 2891.57 QC-1 301.21762:200219 302.22097:51907 303.22433:6059 31.98635:20 41.00494:20 41.03947:93 44.99635:72 59.01401:736 60.70179:12 67.05511:167 71.01029:23 75.00759:17 81.07121:6 83.05031:60 87.01036:11 87.03615:39 93.07164:181 93.45919:36 95.0493:36 95.08636:50 105.06996:31 107.0771:53 107.08768:45 109.1019:75 113.05802:49 117.07156:113 119.0653:89 119.08469:64 121.10285:92 123.03631:26 123.11739:154 126.06939:33 129.12186:50 131.08798:15 133.07695:16 133.09406:51 135.11504:45 135.55684:15 137.11485:41 137.13336:116 141.09183:26 147.11406:53 149.133:39 151.14879:249 155.10777:45 155.24551:14 159.08354:12 159.1162:16 163.07475:107 163.14935:30 165.16394:76 166.10138:26 175.11896:36 175.14529:31 177.0677:35 177.09071:52 177.13213:24 177.16432:84 177.28389:13 177.79192:23 181.12325:82 189.14355:11 191.10654:55 191.18027:128 193.12318:46 194.93794:26 203.11201:18 203.13031:97 203.18092:1579 203.24147:12 203.5752:9 203.64915:10 203.89578:6 209.1438:10 215.17232:12 217.12047:65 219.14565:35 223.14153:89 223.16962:497 223.26212:8 223.58749:37 229.19209:81 231.13696:138 245.15504:52 255.19923:22 255.23235:216 257.17621:162 257.2272:7610 257.27481:32 257.3067:20 257.34229:31 257.36319:20 257.41064:23 257.46191:10 257.47302:16 257.50113:23 257.53934:12 257.56253:17 257.60815:16 257.66156:24 257.70871:7 257.72812:12 257.77112:7 257.79608:23 257.82877:20 257.89459:64 257.93896:5 258.01666:15 258.06107:8 258.19431:20 258.22745:12 258.56635:17 259.54251:18 283.17947:58 283.20676:299 299.20428:62 299.38394:7 299.57224:9 299.68256:12 299.71246:9 301.07819:30 301.13464:323 301.21744:38733 301.47937:88 301.51385:47 301.53091:20 301.56207:29 301.58801:33 301.61707:43 301.65976:24 301.69659:64 23557 24826 26007 0 0 0 0 1435732 1347079 1279266 1178258 1188080 1179878 1193193 0 2547479 2993510 2131142 1206871 3054330 2121219 37052 32044 28782 0 0 2557377.08333333 2127473.5 32625.818359375 24796.7845052083 1257355.03571429 0 0 431269.322688585 923745.254369508 4165.43107394149 1224.96537788563 101261.739190315 100 8.459 303.2334 w/o MS2:FA 20:4 [M-H]- 0.167 False 5.96 303.233 C20H32O2 FA HQPCSDADVLFHHO-UHFFFAOYSA-N O=C(O)CCCCCCC=CCC=CCC=CCC=CCC 530 True True False False False null null 99.9 100 null null null 37.23 P. room temp 1 303.2334:3620 304.23675:840 305.24011:0 23976 22633 26749 1414 0 559 262 7531 6693 6107 10074 8128 5889 5957 932 4376 5586 7462 7811 8094 6672 31295 27170 26277 782.194010416667 410.52946472168 5808.18798828125 7525.78759765625 28247.3971354167 24452.37890625 7196.85407366071 719.059446673077 209.528052349355 1554.93259068409 752.835263252441 2676.77156243428 2098.8445406579 1524.71355969137 101 2.447 303.23605 FA 20:4 [M-H]- found in higher mz's MsMs_476; similar chromatogram in higher mz_146; similar chromatogram in higher mz_527; similar chromatogram in higher mz_559; similar chromatogram in higher mz_1229; found in higher mz's MsMs_559; found in higher mz's MsMs_144; similar chromatogram in higher mz_541; found in higher mz's MsMs_541; similar chromatogram in higher mz_1062; similar chromatogram in higher mz_864 0.792 True 5.96 303.233 C20H32O2 FA HQPCSDADVLFHHO-UHFFFAOYSA-N O=C(O)CCCCCCC=CCC=CCC=CCC=CCC 410 True True True False False null null 100 99.9 70.3 75 100 9546.54 P. room temp 2 303.23349:107116 304.23684:26557 305.2402:2939 44.99754:24 58.00327:53 59.01312:310 59.19261:14 67.05169:35 71.01331:44 83.04994:109 87.01322:20 93.0709:13 126.06905:36 126.26703:54 151.14792:38 153.12958:57 163.0769:41 174.10017:25 177.0946:63 180.11929:28 183.14159:20 185.09676:33 205.19547:677 217.19505:59 225.19099:36 231.20671:70 253.22035:29 259.03787:17 259.1373:36 259.18805:39 259.24274:2037 259.32712:13 259.37167:13 259.40384:8 260.77036:17 285.18759:32 285.22079:139 301.74857:9 303.00201:17 303.23343:32689 303.40677:44 303.45715:112 303.48975:63 303.54327:33 303.63928:13 303.66833:38 303.70816:45 522740 544947 571156 564 375 741 1139 11504916 10653343 10543519 10521517 10599729 10284246 10413913 1327 14947594 15643796 14067997 13018750 15400290 14281530 812679 787685 685208 755.34619140625 939.889556884766 14886462.3333333 14233523.3333333 761857.583333333 546280.739583333 10645883.2857143 503.62196643038 280.976156006141 789676.156789816 1191495.56144089 67546.4174840026 24235.6675352513 398049.45872036 102 2.813 305.24942 FA 20:3 [M-H]- similar chromatogram in higher mz_325; similar chromatogram in higher mz_546; found in higher mz's MsMs_546 0.792 True 6.41 305.2486 C20H34O2 FA AHANXAKGNAKFSK-UHFFFAOYSA-N O=C(O)CCCCCCCCCC=CCC=CCC=CCC 410 True True True False False null null 100 99.9 75 75 100 3434.73 QC-5 305.2489:158389 306.25225:43476 307.25561:4528 59.01416:128 59.02269:20 97.07419:11 125.09721:38 127.08344:17 149.42349:26 184.13914:34 207.21416:73 208.2901:21 236.15404:29 241.21449:49 248.97163:14 255.33138:28 261.25739:203 285.21704:15 287.23618:95 302.24722:72 303.23322:41 303.3316:5 303.38086:7 303.58835:7 303.62476:10 303.66226:9 303.67865:9 303.76294:23 303.80444:22 304.01141:8 304.32932:21 304.44989:28 304.6489:31 304.85873:13 304.99277:17 305.04721:14 305.08847:15 305.24893:69540 305.63226:38 305.66068:50 305.70941:40 305.73315:48 59171 56744 56921 0 0 0 0 1460758 1322501 1303973 1242542 1219510 1231371 1231562 0 2958427 3303995 2475215 2125992 3001832 2469353 85505 83428 80130 0 0 2912545.66666667 2532392.58333333 83021 57611.7486979167 1287459.60714286 0 0 416290.741013292 441310.110376361 2710.45385240157 1352.88835043889 86060.1334117976 103 3.319 307.26495 FA 20:2 [M-H]- 0.792 True 6.9 307.26431 C20H36O2 FA XSXIVVZCUAHUJO-UHFFFAOYSA-N O=C(O)CCCCCCCCCC=CCC=CCCCCC 410 True True True False False null null 100 99.9 75 75 100 1305.25 P. room temp 1 307.26419:11670 308.26754:3520 309.2709:235 126.34083:14 242.9906:29 307.1084:41 307.26453:6248 307.3446:22 307.38098:24 307.49002:37 307.52969:22 307.60516:12 307.62939:29 307.72031:25 307.75668:9 54576 56927 55496 0 0 0 0 488580 464616 445553 419877 425870 423246 415601 0 1027840 1139853 820439 860509 1095490 915281 85222 90035 82555 0 0 996043.916666667 957093.25 85937.5703125 55666.2486979167 440477.508928571 0 0 162063.025917055 122944.242563464 3791.10002575419 1184.52176259699 27312.5548214297 104 5.321 309.20697 w/o MS2:AAHFA 3:0/15:2;O [M-H]- similar chromatogram in higher mz_678 0.042 False 4.63 309.20709 C18H30O4 FAHFA GLZCLECMCBFSOD-UHFFFAOYSA-N O=C(OC(C(=O)O)CCCCCC=CCC=CCCC)CC 530 True True False False False null null 100 100 null null null 26.37 B. cold 1 309.20697:3064 310.21032:611 311.21368:356 0 0 0 0 0 0 0 12261 10954 9483 11876 12223 10687 11767 0 26481 25881 21718 30063 22494 25691 0 0 0 0 0 24693.4830729167 26082.8404947917 0 0 11321.7130301339 0 0 2594.27729828756 3799.50672037436 0 0 1009.89161914763 105 1.161 309.20798 FA 18:3;2O [M-H]- 0.542 True 4.66 309.20709 C18H30O4 OxFA VWKNCZXDXPBMJN-UHFFFAOYSA-N O=C(O)CCCCCC(O)C(O)C=CCC=CCC=CCC 410 True True True False False null null 100 99.9 60 75 100 562.67 B. cold 1 309.20752:45603 310.21087:7680 311.21423:28268 41.02865:27 43.01949:32 47.01308:37 56.99894:106 59.01211:21 75.00849:31 111.08115:142 113.09101:93 115.07616:25 126.06924:46 127.0761:18 154.10165:39 165.13353:40 167.10901:67 171.10411:137 175.10934:30 179.11002:22 179.1424:56 181.12402:144 181.76031:6 183.13742:39 191.11559:9 191.13947:26 195.15889:7 197.07384:23 197.11871:474 197.15306:10 198.0903:33 198.11948:21 199.13242:42 209.11888:89 209.90414:15 211.09732:43 211.13417:195 219.17575:39 223.13184:48 227.13014:21 228.13596:17 229.19667:11 235.12489:20 237.14793:20 238.12273:32 239.08897:28 239.13687:7 240.13718:40 240.39955:8 241.14662:21 247.20712:144 263.16437:65 263.19867:8 265.15253:52 265.18066:69 265.21442:42 273.18549:255 273.23679:7 281.19327:32 281.21933:13 291.12988:50 291.19559:2220 291.27731:9 291.38223:6 291.46014:16 291.52209:8 291.66074:8 291.89685:30 292.00903:18 292.09171:11 309.04956:16 309.14001:189 309.20728:13254 309.28024:64 309.32297:38 309.34439:35 309.40805:25 309.42627:22 309.52924:58 309.60168:22 309.62689:62 309.65121:25 309.67654:19 5508 24488 4758 945 0 0 0 406548 328910 329446 338681 336182 330289 310155 0 738587 501433 494238 524438 804188 782406 4493 5838 3640 314.962259928385 0 578085.916666667 703676.958333333 4656.90266927083 11584.9210611979 340030.325892857 545.530636662679 0 139044.775551705 155607.53687685 1107.77300903096 11180.8742138871 30725.5958475736 106 4.25 309.27997 w/o MS2:FA 20:1 [M-H]- 0.208 False 7.13 309.27991 C20H38O2 FA BITHHVVYSMSWAG-UHFFFAOYSA-N O=C(O)CCCCCCCCCC=CCCCCCCCC 530 True True False False False null null 100 100 null null null 58 P. room temp 1 309.27997:6326 310.28332:1707 311.28668:45720 24449 25198 23452 0 0 0 0 18113 15743 16068 16199 16385 16464 14537 0 2882 2016 4858 2204 3170 6092 52769 34458 32852 0 0 3252.14119466146 3821.67244466146 40026.2708333333 24366.2890625 16215.5910993304 0 0 1456.79731144186 2024.41600116799 11064.6409147349 875.632135483873 1060.76331909622 107 3.994 309.28159 FA 20:1 [M-H]- ion correlated with 848; similar chromatogram in higher mz_326; similar chromatogram in higher mz_848 0.542 True 7.13 309.27991 C20H38O2 FA BITHHVVYSMSWAG-UHFFFAOYSA-N O=C(O)CCCCCCCCCC=CCCCCCCCC 410 True True True False False null null 100 100 75 75 100 297.61 B. room temp 2 309.28012:35100 310.28347:8936 311.28683:1049 96.96213:29 165.12762:46 231.62032:30 252.09525:16 266.17804:15 273.18591:22 273.35156:31 299.21823:17 307.82492:6 308.19421:41 308.4733:31 308.55829:5 309.09265:16 309.13516:39 309.27979:16534 309.43335:38 309.4642:67 309.49915:41 309.53021:38 309.57495:24 309.60257:33 309.67004:35 309.755:16 11687 11420 12746 0 253 0 0 102497 93278 90134 93576 96322 95646 91325 0 236757 266080 187691 217412 282334 243039 10991 10537 10448 84.3722941080729 0 230175.786458333 247594.989583333 10658.7330729167 11950.9794921875 94682.6662946429 146.137100146327 0 39606.8211991575 32699.8834831839 291.252052564033 701.686415215056 4079.08756760755 109 1.271 311.22159 FA 18:2;2O [M-H]- ion correlated with 413; ion correlated with 119; similar chromatogram in higher mz_119 0.542 True 5.23 311.22281 C18H32O4 OxFA NMONGVDUESEHOK-UHFFFAOYSA-N O=C(O)CCCCCC(O)C(O)C=CCC=CCCCCC 410 True True True False False null null 100 99.9 79.8 75 100 119.37 QC-7 311.22324:35674 312.22659:5687 313.22995:5554 43.02136:13 59.01231:55 83.04929:34 111.04435:22 127.00322:15 135.07742:33 150.05717:27 169.11105:29 183.13342:38 195.138:129 199.11658:19 213.1442:8 265.17905:49 267.22931:38 291.19284:45 293.10764:19 293.18585:75 293.20816:650 293.24841:7 294.2865:9 311.07962:136 311.09793:81 311.16336:350 311.22009:12887 311.27057:85 311.33591:60 311.39523:30 311.42114:24 311.50314:23 311.53091:20 311.57541:18 311.64679:35 311.70169:29 311.72305:9 18377 17788 12723 202 0 0 0 550730 436721 458518 477214 441035 456689 449040 0 924948 610911 617850 710644 939517 961635 21845 9205 14800 67.2456970214844 0 717903.145833333 870598.75 15283.2503255208 16296.0794270833 467135.236607143 116.472963831594 0 179340.042183066 138965.206366052 6333.92718238068 3108.07147393366 39171.9304109054 110 9.475 311.29507 w/o MS2:FA 20:0 [M-H]- 0.25 False 7.58 311.29559 C20H40O2 FA VKOBVWXKNCXXDE-UHFFFAOYSA-N O=C(O)CCCCCCCCCCCCCCCCCCC 530 True True False False False null null 99.9 100 null null null 5.8 P. room temp 1 311.29507:3887 312.29842:1002 313.30178:0 37169 35584 41993 1242 651 472 2171 11012 11461 9244 8496 9064 10916 8917 1244 6142 5094 8861 4610 5302 5982 41801 37284 37706 1045.91520182292 1321.47384643555 6698.95686848958 5297.80192057292 38930.5885416667 38248.8190104167 9872.93791852679 341.731749027521 1201.05923563884 1944.43066249389 686.109928213207 2495.11228092208 3338.21979503803 1208.5676392671 112 4.281 311.29605 FA 20:0 [M-H]- similar chromatogram in higher mz_981 0.792 True 7.58 311.29559 C20H40O2 FA VKOBVWXKNCXXDE-UHFFFAOYSA-N O=C(O)CCCCCCCCCCCCCCCCCCC 410 True True True False False null null 100 99.9 74.2 75 100 31.7 P. room temp 1 311.29605:40356 312.2994:8488 313.30276:1128 228.99751:17 270.08115:29 283.2644:33 309.46219:17 309.69931:8 310.35031:32 310.47815:9 310.88013:28 310.99591:11 311.04465:13 311.16843:198 311.2951:19445 311.45447:57 311.5015:53 311.57339:39 311.64297:30 311.66968:31 311.71469:5 311.73367:12 311.7825:29 132136 145124 134327 2254 4138 2375 1343 157438 147944 140781 135782 145432 157498 152405 222 63811 74355 95469 77296 91182 81547 304547 228284 225879 2204.56344095866 1858.83282470703 77878.4010416667 83341.609375 252903.369791667 137195.708333333 148182.808035714 1958.75999973991 729.591516603792 16120.2046584876 7115.06484988396 44741.1608375049 6953.40713669746 8230.53395852349 113 5.829 313.07764 Unknown [M-H]- 0.083 False null null null null null null 999 False False False False False null null null null null null null 33.63 B. cold 3 313.07764:4840 314.08099:2170 315.08435:940 702 309 268 0 0 0 0 11682 12917 11277 18191 19108 19641 20258 232 4291 14791 21934 1051 3154 32224 758 312 593 77.4775238037109 0 13672.2864583333 12143.1696777344 554.591105143229 426.542297363281 16153.5472935268 134.195007672654 0 8874.72410058273 17422.4921358336 225.440281404774 239.489370881962 4002.71225804847 115 6.346 313.07861 Unknown [M-H]- 0.292 False null null null null null null 999 False False False False False null null null null null null null 55.2 B. cold 3 313.07861:7316 314.08196:2591 315.08532:2084 685 815 960 769 268 557 0 15234 15030 16710 19607 19274 22703 21653 0 7937 19672 26357 1277 4351 41554 1344 990 1430 345.634134928385 278.496520996094 17988.5281575521 15727.4627278646 1254.4062906901 819.774251302083 18601.7201450893 390.205774245731 393.853557066399 9324.5794980809 22419.2655833304 233.371576234839 137.485202535044 3034.97524003817 117 1.306 313.23837 w/o MS2:AAHFA 10:0/8:0;O [M-H]- 0.125 False 5.48 313.2384 C18H34O4 FAHFA CPFXOBIQCHVQCA-UHFFFAOYSA-N O=C(OC(C(=O)O)CCCCCC)CCCCCCCCC 530 True True False False False null null 100 99.9 null null null 334.78 B. cold 3 313.23837:18920 314.24172:3495 315.24508:0 2120 1741 136 63 0 20 178 67858 51642 58062 60356 46197 52371 61843 0 113250 47407 55663 121550 135534 151318 396 0 706 21.0302085876465 99.3128080368042 72106.6302083333 136133.989583333 367.525238037109 1332.46227518717 56904.1540178571 36.425389767575 111.516699834152 35869.3020592698 14892.6307763851 354.027921786095 1053.13219653484 7309.09199940583 118 1.49 313.23862 FA 18:1;2O [M-H]- 0.542 True 5.69 313.2384 C18H34O4 OxFA IPRLELFMTNDNMN-UHFFFAOYSA-N O=C(O)CCCCCC(O)C=CC(O)CCCCCCCC 410 True True True False False null null 100 99.9 74.8 75 100 182.52 B. cold 1 313.23862:25488 314.24197:4696 315.24533:10648 43.0196:29 44.99776:72 47.01314:78 56.99857:146 59.01219:41 75.00889:95 75.80865:17 223.18517:21 249.21754:46 251.24165:21 267.23315:25 295.198:28 295.23022:67 311.46625:18 313.09048:13 313.23804:11254 313.33511:28 313.36786:24 313.38635:15 313.41837:32 313.45224:30 313.47977:37 313.51251:22 313.54309:33 313.58514:9 313.61041:15 313.63806:17 313.6716:11 313.71445:17 51 71 44 0 0 0 0 123058 119564 111947 104100 109246 113042 106239 0 200250 140132 158025 268818 212110 215002 150 0 706 0 0 166135.229166667 231976.541666667 285.335596720378 55.3011245727539 112456.498883929 0 0 30868.8581423778 31938.6638063598 372.173247607676 13.8060369516626 6859.57438042116 119 1.251 315.19733 Unknown [M-H]- ion correlated with 109; similar chromatogram in higher mz_580 0.542 True null null null null null null 999 False False False False False null null null null null null null 667.96 QC-1 315.19733:34699 316.20068:7404 317.20404:4778 43.01912:15 58.99951:40 59.01233:84 67.05444:71 85.02661:15 95.04975:112 106.03887:97 107.05546:43 107.08521:20 109.06415:73 113.06158:37 121.04321:22 121.06517:68 123.08284:121 135.1207:11 141.08868:32 149.09567:52 150.10765:28 153.09158:37 163.08788:65 163.11334:443 163.44937:20 165.12804:292 167.10954:54 173.09441:38 176.12277:30 189.13004:116 189.17152:18 189.26221:17 217.12524:81 217.15956:890 217.35635:7 217.47083:12 217.88377:24 219.10172:41 223.00381:37 223.0248:123 228.15199:27 230.16708:96 243.17821:35 243.21024:33 255.18883:50 255.2224:53 259.1402:13 271.16211:63 271.20651:1389 271.27026:18 271.41824:7 271.44608:8 271.75421:12 273.18018:68 283.10898:35 297.05011:19 297.17532:42 315.09314:35 315.19644:5046 315.2438:165 315.30786:27 315.43668:5 315.45889:26 315.51038:34 315.58401:9 315.60858:8 315.63925:20 315.67642:10 1528 1645 520 0 0 0 0 345434 281552 299565 314179 291300 310183 281865 0 571583 435140 429899 422891 594917 603715 2039 709 822 0 0 478874.125 540507.614583333 1190.12424723307 1230.90169270833 303439.790178571 0 0 80330.8881610199 101953.840931588 737.551520501763 618.53563903668 22476.8497001457 120 1.501 315.25317 w/o MS2:RIKEN N-VS1 ID-936 from Mouse_Feces_WT_N_Ctr [M+FA-H]- similar chromatogram in higher mz_165; adduct linked to 62_[M-H]- 0.25 False 1.63 315.25281 Unknown 530 True True False False False null null 99.9 100 null null null 122.16 B. cold 1 315.25317:9482 316.25652:2266 317.25988:0 0 0 0 0 0 0 0 29242 27394 25393 24374 27088 27440 24928 0 48791 38835 39214 78619 63768 56678 0 0 0 0 0 42279.8203125 66354.7786458333 0 0 26551.4849330357 0 0 5641.80141088791 11197.3465960037 0 0 1719.61748743399 121 1.792 315.25415 FA 18:0;2O [M-H]- ion correlated with 459 0.542 True 6.05 315.25409 C18H36O4 OxFA VACHUYIREGFMSP-UHFFFAOYSA-N O=C(O)CCCCCCCC(O)C(O)CCCCCCCC 410 True True True False False null null 100 99.9 72.1 75 100 163.54 B. cold 1 315.25415:21455 316.2575:3249 317.26086:433 43.01955:24 44.99558:42 47.01365:80 47.24918:9 56.99854:234 57.15567:6 59.01486:19 72.99002:80 75.00815:443 153.56223:6 163.11378:45 211.13766:68 217.00233:52 217.15472:54 255.09415:22 255.2325:190 269.23093:71 269.2536:32 271.2131:41 279.16299:63 297.24066:41 315.1076:36 315.25403:9577 315.3876:26 315.42239:34 315.44901:25 315.48438:52 315.50409:14 315.54715:11 315.60855:14 315.64709:27 315.73132:25 315.74405:12 0 0 0 0 0 0 0 58759 56310 53602 50436 48557 52297 52893 0 156666 129998 94829 241790 158471 149113 0 0 0 0 0 127164.2578125 183124.802083333 0 0 53264.7103794643 0 0 31015.8707630603 51020.4552835254 0 0 3435.57038494644 122 1.42 317.21295 FA 20:5;O [M-H]- 0.542 True 5.28 317.21219 C20H30O3 OxFA KONMRYXTSAJFFW-UHFFFAOYSA-N O=C(O)CCCC=CC(O)C=CCC=CCC=CCC=CCC 410 True True True False False null null 100 99.9 67.2 75 100 646.12 B. cold 3 317.21286:42384 318.21621:8000 319.21957:57004 58.03116:23 59.01449:94 67.05425:14 95.05906:56 113.09801:62 121.10246:36 127.09147:5 127.10725:55 135.12219:6 139.11176:65 148.08783:20 149.09059:17 151.07536:29 165.10103:47 165.12749:131 167.09592:22 179.10982:37 180.1149:23 181.09036:51 188.80078:36 202.0784:70 203.10632:9 204.1319:47 205.16006:81 209.11884:15 219.13957:17 245.18047:28 248.14865:16 255.20955:176 261.18506:53 273.17926:11 273.22028:475 273.28601:34 273.68591:10 287.15176:9 287.20154:7 299.20312:110 299.79623:8 316.95312:17 317.13834:90 317.15622:89 317.21198:8255 317.30261:26 317.34732:21 317.40289:12 317.45853:18 317.50171:40 317.53894:43 317.55664:23 317.60898:32 317.64899:11 317.68597:19 1160 774 1267 0 0 0 0 387041 333009 339212 344550 339872 340810 336995 0 613146 592639 568329 434452 578150 605050 13471 8280 12918 0 0 591371.520833333 539217.020833333 11556.2565104167 1066.88509114583 345926.875 0 0 22435.7899339925 91721.0847203769 2851.03940088905 259.335612538967 18469.9377362193 123 2.737 317.24927 FA 21:4 [M-H]- 0.542 True 6.25 317.2486 C21H34O2 FA QDRLYNRYDGADBF-UHFFFAOYSA-N O=C(O)CCCCCCCC=CCC=CCC=CCC=CCC 410 True True True False False null null 100 99.9 71.8 75 100 274.23 B. room temp 3 317.24847:14418 318.25182:4442 319.25518:631 155.91345:38 191.09209:22 219.21199:41 219.4218:15 239.20753:16 255.23221:41 273.18594:41 273.25897:312 280.23837:6 315.36932:32 315.71918:16 316.63083:20 317.24869:6098 317.31754:22 317.3483:28 317.37976:21 317.45297:41 317.55762:21 317.59457:7 317.61304:17 317.65616:13 317.68695:15 247 0 0 0 0 0 0 58807 55838 56000 56785 54844 55021 55193 0 133994 151415 103706 122821 197790 156525 0 280 0 0 0 129705.0859375 159044.9921875 93.2031555175781 82.4681752522786 56069.8141741071 0 0 24141.8539017318 37547.9248371999 161.432600782189 142.839069544441 1380.48197549414 124 1.446 319.22791 FA 20:4;O [M-H]- similar chromatogram in higher mz_131 0.75 True 5.52 319.22791 C20H32O3 OxFA GAVRLOGPHXQBDO-UHFFFAOYSA-N O=C(O)CCCCCC(O)C=CCC=CCC=CCC=CCC 410 True True True False False null null 100 99.9 60.8 75 100 654.07 B. cold 3 319.22812:53491 320.23147:11542 321.23483:1222 41.31649:6 43.01891:36 55.04471:42 57.03546:28 59.01475:59 69.03464:41 93.06866:59 107.08448:98 113.09571:111 117.07549:21 121.10263:133 135.11838:60 139.11308:60 141.05443:80 151.11394:14 152.0797:11 155.1468:13 163.07597:23 163.11122:96 163.34164:8 165.16312:26 166.09256:23 167.10681:831 167.15413:7 167.7099:10 172.09052:28 175.14954:223 175.17789:21 179.036:53 179.10698:363 179.37663:9 179.47549:15 179.56424:10 180.30566:13 183.11803:33 191.18242:8 193.12231:94 199.32257:23 203.18031:90 205.12199:66 207.09505:9 207.1384:81 208.11058:97 215.16521:21 219.12343:79 219.13947:620 219.32225:5 219.35477:30 220.14233:87 223.12997:49 257.22705:808 257.38919:15 258.22687:52 275.23923:161 284.19101:60 291.23004:39 301.21609:1293 301.26273:12 317.62466:11 319.228:14001 319.34555:41 319.38022:22 319.41614:14 319.46857:48 319.4873:42 319.52426:12 319.55112:16 319.65991:29 319.72177:29 22966 26418 28173 0 0 0 0 452196 390179 396030 402962 400585 388601 391757 0 744628 703143 683872 554240 652389 654494 40980 27380 34512 0 0 710547.5625 620374.291666667 34290.8463541667 25852.5677083333 403187.111607143 0 0 31047.1903426361 57283.8675689548 6802.68152126653 2649.39674035869 22258.2301233771 126 1.345 323.22253 w/o MS2:AAHFA 4:0/15:2;O [M-H]- 0.125 False 5.28 323.22281 C19H32O4 FAHFA VMLVZMTXWLLSSU-UHFFFAOYSA-N O=C(OC(C(=O)O)CCCCCC=CCC=CCCC)CCC 530 True True False False False null null 100 99.9 null null null 22.27 B. cold 3 323.22253:5997 324.22588:1356 325.22924:772 2912 2289 2136 0 0 0 0 22446 18986 18095 19195 19263 19479 18901 0 26075 22201 31154 8902 43855 50225 3815 349 2465 0 0 26476.8665364583 34327.3736979167 2209.58866373698 2445.7607421875 19480.6339285714 0 0 4489.72406579796 22248.2652954936 1746.84643084842 411.197799820701 1379.88811801166 127 2.165 323.2229 w/o MS2:AAHFA 4:0/15:2;O [M-H]- 0.042 False 5.28 323.22281 C19H32O4 FAHFA VMLVZMTXWLLSSU-UHFFFAOYSA-N O=C(OC(C(=O)O)CCCCCC=CCC=CCCC)CCC 530 True True False False False null null 100 100 null null null 20.04 QC-1 323.2229:4028 324.22625:871 325.22961:0 1456 2004 1813 0 0 0 27 34578 15669 13859 12068 14076 11050 13148 0 18588 21207 18653 11552 19877 18638 2647 2666 2273 0 13.3048076629639 19482.673828125 16688.900390625 2528.720703125 1757.64912923177 16349.5984933036 0 18.815839441729 1493.25709691797 4491.80442060267 221.663368148988 278.279362752137 8172.95608442477 128 4.43 323.29565 FA 21:1 [M-H]- ion correlated with 409; ion correlated with 375; ion correlated with 348; similar chromatogram in higher mz_966; similar chromatogram in higher mz_369 0.542 True 7.31 323.29559 C21H40O2 FA HMQNHJJIYIZSOU-UHFFFAOYSA-N O=C(O)CCCCCCCCCC=CCCCCCCCCC 410 True True True False False null null 100 100 75 75 100 45.6 B. cold 2 323.29565:14422 324.299:4224 325.30236:428 207.11497:7 209.1039:34 225.11369:14 321.30569:22 323.16028:37 323.29535:6544 323.36942:17 323.44519:18 323.4834:21 323.53348:18 323.57428:14 323.63876:24 323.68225:40 323.75134:13 323.78058:17 940 0 267 0 0 0 0 42287 41471 39444 37764 40888 38453 40828 0 86398 97763 69631 83527 104569 98726 568 402 0 0 0 84597.6041666667 95607.6666666667 323.311584472656 402.488220214844 40162.1925223214 0 0 14152.1125931783 10862.028703726 292.165198680442 484.633290759843 1652.62296265855 130 2.61 325.23853 w/o MS2:AAHFA 6:0/13:1;O [M+FA-H]- adduct linked to 69_[M-H]- 0.25 False 5.38 325.2384 C19H34O4 FAHFA NLUHTKIJBSLLBH-UHFFFAOYSA-N O=C(OC(C(=O)O)CCCCCCC=CCCC)CCCCC 530 True True False False False null null 100 100 null null null 6.08 QC-1 325.23853:5405 326.24188:1560 327.24524:0 5111 5298 6327 0 0 0 0 47527 23474 21623 20826 21132 19575 19550 0 31064 33849 28657 26976 31576 30325 8165 6972 6623 0 0 31190.203125 29625.51953125 7253.4658203125 5578.34684244792 24815.3850446429 0 0 2598.48624106841 2378.48868881032 808.556963977938 654.667075884999 10103.5553235469 131 1.455 325.23892 w/o MS2:AAHFA 6:0/13:1;O [M-H]- ion correlated with 152 0.208 False 5.38 325.2384 C19H34O4 FAHFA NLUHTKIJBSLLBH-UHFFFAOYSA-N O=C(OC(C(=O)O)CCCCCCC=CCCC)CCCCC 530 True True False False False null null 99.9 99.9 null null null 21.7 B. cold 3 325.23892:8945 326.24227:1753 327.24563:519 992 613 841 0 0 0 0 33454 28717 28263 29156 28430 26519 27890 0 35217 31894 41955 14906 71522 81507 2115 1367 2057 0 0 36355.26953125 55978.3502604167 1845.97318522135 815.273417154948 28918.4029017857 0 0 5126.24074939413 35918.5455428173 416.223377007634 190.772697011486 2166.30942651343 132 3.151 327.25366 w/o MS2:AAHFA 11:0/8:0;O [M+FA-H]- ion correlated with 339; adduct linked to 70_[M-H]- 0.25 False 6.1 327.25409 C19H36O4 FAHFA RBBLUMRLHSEDMM-UHFFFAOYSA-N O=C(OC(C(=O)O)CCCCCC)CCCCCCCCCC 530 True True False False False null null 99.9 100 null null null 67.11 QC-1 327.25366:3698 328.25701:1020 329.26037:0 2473 2916 1960 0 0 0 0 29955 18276 18634 16974 16852 14458 15400 0 29106 30741 26795 24494 28255 26150 2046 2690 2012 0 0 28880.677734375 26299.5846354167 2249.18607584635 2449.47375488281 18649.8872767857 0 0 1982.60573666602 1884.77875886103 381.934910282846 478.516786147301 5198.24359568015 134 1.729 331.18976 w/o MS2:AAHFA 2:0/18:5;O [M-H]- 0.042 False 4.65 331.1915 C20H28O4 FAHFA CBLTYCNCDZJQSI-UHFFFAOYSA-N O=C(OC(C=CCC=CCC=CCC=CCC=CCC)C(=O)O)C 530 True True False False False null null 98.5 100 null null null 66.06 B. cold 2 331.18976:3303 332.19311:594 333.19647:844 296 0 224 0 0 0 0 10723 10865 10303 10121 8972 10002 10584 0 24996 24567 20194 19548 28508 24891 974 307 1019 0 0 23252.365234375 24315.42578125 766.545786539714 173.369023640951 10224.2234933036 0 0 2657.67934599103 4507.67698380667 398.864430293134 154.321947704194 635.310879805108 135 3.057 331.26395 FA 22:4 [M-H]- 0.542 True 6.57 331.26431 C22H36O2 FA IGFLWIHPPADNDL-UHFFFAOYSA-N O=C(O)CCCCCCCCC=CCC=CCC=CCC=CCC 410 True True True False False null null 100 99.9 72.8 75 100 149.73 B. room temp 2 331.26407:12320 332.26742:3848 333.27078:406 81.06873:23 233.22737:16 245.13815:24 287.27243:226 329.81061:14 330.62067:15 331.15518:24 331.26367:6551 331.33624:18 331.41275:20 331.46201:10 331.50711:28 331.57318:12 331.6015:7 331.63297:8 331.67072:14 331.69876:18 331.75244:24 0 606 268 0 0 0 64 42229 40130 36206 34795 34503 33663 35312 0 79755 90137 61565 55303 91697 69481 0 249 265 0 32.178653717041 77152.4778645833 72160.3802083333 171.132603963216 291.483256022135 36691.3297991071 0 45.5074885055468 14462.7680306726 18344.4315179417 148.420681218102 303.848827717943 3219.30002701435 136 2.017 333.2048 w/o MS2:AAHFA 5:0/15:4;O [M+FA-H]- ion correlated with 150; similar chromatogram in higher mz_151; adduct linked to 150_[M+Hac-H]-; similar chromatogram in higher mz_331; similar chromatogram in higher mz_341; similar chromatogram in higher mz_416; similar chromatogram in higher mz_440 0.375 False 4.58 333.20709 C20H30O4 FAHFA MJHCYCBBTASZBQ-UHFFFAOYSA-N O=C(OC(C=CCC=CCC=CCC=CCC)C(=O)O)CCCC 530 True True False False False null null 97.4 100 null null null 89.54 B. room temp 2 333.2048:5704 334.20815:1315 335.21151:473 876 0 0 0 0 0 0 25404 25557 25084 21670 26100 23737 23422 0 50337 45462 42619 48166 41455 44831 1056 1060 955 0 0 46139.20703125 44817.4518229167 1023.91302490234 291.861735026042 24424.9997209821 0 0 3903.62448674686 3355.80769189613 59.3433216759301 505.519353850309 1557.34266838196 137 1.176 333.20721 w/o MS2:AAHFA 5:0/15:4;O [M-H]- ion correlated with 551 0.542 False 4.58 333.20709 C20H30O4 FAHFA MJHCYCBBTASZBQ-UHFFFAOYSA-N O=C(OC(C=CCC=CCC=CCC=CCC)C(=O)O)CCCC 530 True True False False False null null 100 99.9 null null null 100.25 B. cold 2 333.20721:9282 334.21056:1757 335.21392:20844 2596 2505 2514 0 0 0 0 74764 58804 59617 65306 59196 37001 59450 0 110128 78378 79544 92249 140316 130515 2606 864 2049 0 0 89349.7447916667 121026.705729167 1839.55747477214 2538.2021484375 59162.5524553571 0 0 18003.7858107908 25399.2155949767 889.68275965894 50.423577531998 11348.2534516769 138 1.283 335.22357 FA 20:4;2O [M-H]- 0.792 True 5.16 335.22281 C20H32O4 OxFA WTTRVKVOOJHCSN-UHFFFAOYSA-N O=C(O)CCCCC(O)C(O)C=CCC=CCC=CCC=CCC 410 True True True False False null null 100 99.9 58 75 100 1319.7 B. cold 3 335.22375:162165 336.2271:31231 337.23046:9331 41.03932:40 43.01963:197 55.05659:47 57.0349:59 59.01439:477 67.05492:96 69.03528:89 81.07157:19 82.71315:5 83.05077:37 84.02045:90 91.05266:44 93.03816:29 93.07973:5 95.0519:63 95.08271:20 97.02998:59 97.06475:40 98.03822:58 99.04513:76 99.0809:86 107.08774:86 109.06651:147 111.04505:101 113.02463:16 113.06137:26 113.09754:153 121.0499:26 121.10258:54 123.08032:25 123.11866:35 124.04825:41 125.05931:39 125.09726:17 127.07668:173 127.11361:71 129.07433:57 129.09384:67 130.04759:6 134.07236:82 135.11842:18 137.07352:34 137.09889:73 139.11311:133 141.09174:68 141.1291:12 143.10561:67 149.06078:30 149.09843:92 149.13257:57 151.07542:183 151.11295:102 152.08623:45 153.09105:88 153.10986:25 153.12643:74 154.09346:43 155.06487:46 155.10687:97 155.14178:67 157.12248:8 159.1179:8 161.09663:72 162.1003:25 163.07384:53 163.09737:9 165.09224:393 165.12766:337 166.10132:78 167.06926:13 167.10786:607 167.14081:38 167.34978:6 168.08913:5 168.11574:181 169.12112:175 170.13367:23 171.09955:21 171.11763:100 171.1375:45 173.09853:25 173.1349:105 175.15048:88 177.09203:93 177.13055:67 178.10197:24 179.07732:46 179.10764:174 179.13945:34 180.11513:65 181.08672:343 181.12402:34 181.15982:84 182.09619:25 183.10196:508 183.13872:440 183.46461:24 183.48801:23 183.6584:23 183.85094:9 185.12102:32 189.12115:55 189.162:10 191.10599:18 191.14412:163 191.17509:49 192.04231:6 192.15276:41 193.08345:96 193.12251:344 193.16072:26 195.06421:6 195.1019:488 195.14438:24 196.1013:40 196.14445:63 197.06853:12 197.15454:266 205.12238:142 205.15778:41 206.0946:343 206.1662:6 207.11011:37 207.13947:873 207.17462:16 207.33379:21 207.5256:6 207.61749:7 208.1489:63 209.08498:20 209.11833:115 209.15463:65 209.38756:13 209.42352:16 217.12099:39 218.16907:25 219.13988:73 219.17545:503 221.10851:46 221.13211:19 221.1649:8 223.09109:60 223.16853:23 223.19434:7 223.53088:5 224.10451:229 225.11366:31 225.16034:26 226.12315:13 231.17543:84 233.10516:14 235.1315:151 235.18896:26 236.1754:15 237.14876:112 237.18521:58 245.18602:56 246.12296:22 246.62737:5 249.18442:26 255.21078:326 255.35307:7 255.43591:15 257.18958:20 263.23715:43 269.19775:22 273.22153:3880 273.30508:9 273.41953:10 273.47665:9 273.52237:14 273.55362:7 273.59097:19 273.70053:15 273.76816:11 273.9054:20 274.26007:47 275.19943:31 281.19394:35 289.19348:22 289.21729:69 291.23239:1381 291.43057:27 299.20023:123 303.16562:29 307.2265:127 307.5448:19 315.1933:10 315.60184:12 315.96411:14 317.15689:136 317.21198:6536 317.30115:42 317.39691:34 317.42145:14 317.47678:49 317.49783:26 317.52911:16 317.57538:45 317.62466:6 317.68625:18 317.74384:25 317.79095:33 317.85254:12 317.96289:28 318.19763:18 318.21613:23 319.22165:17 333.18164:12 333.25732:22 333.28885:15 333.40872:6 333.43567:13 333.48444:7 333.8158:16 334.74768:49 334.9931:15 335.00711:8 335.04486:41 335.1272:128 335.22327:44347 335.46552:72 335.50885:62 335.54922:66 335.57907:42 335.60056:37 335.65744:40 335.70969:21 116560 108191 89852 0 0 0 0 848920 686190 714603 752218 717156 747033 714791 0 1237552 834934 836289 1015721 1650580 1667829 127283 56694 81379 0 0 969591.6875 1444710.22916667 88452.0338541667 104867.559895833 740130.160714286 0 0 232061.643953048 371615.396884471 35822.4558285225 13660.8235614689 52852.0323120638 141 3.013 337.23615 Unsettled: FA 20:3;2O [M-H]- adduct linked to 153_[M+Hac-H]- 0.792 True 5.55 337.2384 C20H34O4 OxFA VCEZPJROPJUJSF-UHFFFAOYSA-N O=C(O)CCCCCCCC(O)C(O)C=CCC=CCC=CCC 530 True True False False True null null 84.1 100 1.1 75 100 68.97 B. cold 2 337.23615:15760 338.2395:2664 339.24286:545 58.63055:9 59.01435:634 59.09449:8 59.46695:5 105.94656:36 255.2325:6480 255.28638:32 255.32555:22 255.34624:36 255.4108:17 255.47488:17 255.4908:13 255.50803:10 255.53014:13 255.67491:19 255.75111:24 255.83401:36 255.86272:11 255.88739:10 255.911:9 256.23764:8 256.35934:6 256.55301:9 256.61942:41 291.19513:38 337.23352:72 41245 44497 34947 4203 2636 13659 6677 134381 127049 120916 125357 129235 128282 124430 72 143455 147384 138217 133339 149248 145472 52615 45748 46389 2303.73741404215 10168.146484375 143018.3125 142686.401041667 48250.4609375 40230.0651041667 127092.910714286 2085.64358076244 4937.11622099972 4598.91519793557 8312.02316360746 3793.14360765968 4855.26172437759 4230.60945197751 142 4.877 337.31119 FA 22:1 [M-H]- similar chromatogram in higher mz_1260; similar chromatogram in higher mz_969; similar chromatogram in higher mz_1279 0.542 True 7.69 337.31119 C22H42O2 FA DPUOLQHDNGRHBS-UHFFFAOYSA-N O=C(O)CCCCCCCCCCCC=CCCCCCCCC 410 True True True False False null null 100 100 72.9 75 100 33.1 B. cold 3 337.31107:8980 338.31442:2603 339.31778:0 121.26226:48 255.23158:70 335.4812:6 335.59515:17 337.24307:90 337.311:4917 337.40164:19 337.47147:40 337.63577:14 337.73184:23 337.80118:12 3623 4928 4261 0 0 256 808 33972 31941 30484 29583 29187 28769 30453 0 58147 63302 48695 66421 68360 65199 4147 5204 5202 0 532.392303466797 56714.8216145833 66660.0716145833 4851.03987630208 4270.44458007813 30627.1741071429 0 390.244179184477 7408.17064403918 1594.3394194342 609.783359910888 652.438041206113 1806.45071379496 144 2.448 339.20941 Unknown [M-H]- similar chromatogram in higher mz_476; adduct linked to 230_[M+Hac-H]- 0.458 True null null null null null null 999 False False False False False null null null null null null null 32.37 B. room temp 2 339.20941:18723 340.21276:4250 341.21612:7001 34.96912:1214 241.10782:24 267.26724:12 279.2348:30 295.30417:16 303.23294:262 303.29422:16 339.17572:38 339.19888:299 339.23944:17 1284 1662 1535 830 204 383 1851 32753 30187 26757 27785 25114 28750 25117 673 90452 136812 84910 63107 82425 75041 1069 3764 2340 569.21169535319 1117.04260253906 104058.046875 73524.3059895833 2391.28405761719 1493.53523763021 28066.1286272321 325.675988632021 1037.98407213725 28500.8708447896 9748.25878273036 1348.31782010366 192.395753143786 2773.0096709738 145 5.747 339.32727 FA 22:0 [M-H]- ion correlated with 912; similar chromatogram in higher mz_321; similar chromatogram in higher mz_166; similar chromatogram in higher mz_912; similar chromatogram in higher mz_328 0.792 True 8.13 339.3269 C22H44O2 FA UKMSUNONTOPOIO-UHFFFAOYSA-N O=C(O)CCCCCCCCCCCCCCCCCCCCC 410 True True True False False null null 100 100 74.1 75 100 165 P. cold 3 339.3273:21777 340.33065:5924 341.33401:443 278.74155:43 339.02893:71 339.16681:44 339.19617:116 339.29361:587 339.3266:13124 339.42233:75 339.46335:30 339.51257:39 339.5748:50 339.62457:33 339.69965:27 339.72913:11 339.79901:24 339.82162:6 135455 146655 160305 9943 8440 9539 13238 99758 87738 86079 87214 89523 89140 85867 1847 53336 61725 64387 65108 71735 83571 199853 133511 144915 6743.36641438802 11388.5922851563 59816.1888020833 73471.1979166667 159426.442708333 147471.572916667 89331.1149553571 4306.12131706821 2615.2820770621 5767.63854482874 9352.97453745724 35471.9120653973 12445.4839290447 4802.47231082899 146 2.451 341.20648 Unknown [M-H]- 0.125 False null null null null null null 999 False False False False False null null null null null null null 29.42 B. room temp 2 341.20648:4748 342.20983:1371 343.21319:243 0 0 0 0 0 0 0 7972 6762 7024 6699 7143 6667 6407 0 23164 33650 21996 16525 23102 20848 0 246 0 0 0 26269.9049479167 20158.4251302083 82.0979766845703 0 6953.52322823661 0 0 6417.75521213368 3342.6110432775 142.197866816281 0 509.973522551195 147 2.169 345.20465 w/o MS2:NAGlySer 11:0;O [M-H]- similar chromatogram in higher mz_360; similar chromatogram in higher mz_481; similar chromatogram in higher mz_173; similar chromatogram in higher mz_176; similar chromatogram in higher mz_403; similar chromatogram in higher mz_444 0.083 False 3.53 345.20309 C16H30N2O6 NAGlySer QEAFSSAWVVRQQU-UHFFFAOYSA-N O=C(NC(C(=O)O)CO)CNC(=O)CC(O)CCCCCCCC 530 True True False False False null null 98.8 100 null null null 65.66 QC-1 345.20465:3490 346.208:798 347.21136:0 2864 3118 3372 0 0 0 0 28371 24353 24065 19474 21080 21712 23357 0 24648 24412 26973 19489 23652 22924 4055 3701 3211 0 0 25344.5266927083 22021.634765625 3655.81632486979 3118.19474283854 23201.7338169643 0 0 1415.30642043841 2223.29411041467 423.99702538282 254.037184278793 2870.26598406394 148 1.715 347.16333 Unknown [M-H]- 0.083 False null null null null null null 999 False False False False False null null null null null null null 92.94 B. room temp 2 347.16333:6283 348.16668:1640 349.17004:487 557 240 940 0 0 0 0 9036 7767 8020 7304 8705 8475 8871 0 13820 45311 21191 13818 15880 11458 1738 5182 2511 0 0 26773.7770182292 13718.455078125 3143.86771647135 579.04074605306 8311.40492466518 0 0 16471.3847252832 2212.89144485467 1806.79980834533 350.374252452216 634.541312015409 149 1.139 347.16354 Unknown [M-H]- ion correlated with 237; ion correlated with 515 0.208 False null null null null null null 999 False False False False False null null null null null null null 95.12 B. cold 2 347.16354:5623 348.16689:1255 349.17025:892 242 1083 308 0 0 0 0 26039 24601 24628 23848 24529 23340 24407 0 37652 40023 35100 32402 38796 39323 0 0 308 0 0 37591.8645833333 36840.44140625 102.78916422526 544.270151774089 24484.5167410714 0 0 2461.84717475744 3852.63446763403 178.036054905692 467.492391916961 833.80007907618 150 2.015 347.18976 Unknown [M+Hac-H]- ion correlated with 331; ion correlated with 136; adduct linked to 136_[M+FA-H]- 0.25 False null null null null null null 999 False False False False False null null null null null null null 83.84 B. room temp 1 347.18976:4612 348.19311:1386 349.19647:4360 672 1029 1701 0 0 0 0 20737 19263 17717 16956 18083 17803 18634 0 34641 31578 27402 30535 32176 30717 2460 2017 2455 0 0 31206.87109375 31142.6139322917 2310.89404296875 1134.02333577474 18456.0611049107 0 0 3633.69579347085 899.840444962652 254.13862164526 522.1896259345 1241.43609935034 151 2.007 349.18024 Unknown [M-H]- 0.167 False null null null null null null 999 False False False False False null null null null null null null 98.2 B. room temp 2 349.18024:7358 350.18359:1587 351.18695:695 0 0 0 0 0 0 0 15258 14723 14223 12914 11677 14467 12957 0 24328 54723 35421 32739 17901 18357 647 2439 952 0 0 38157.55078125 22999.16796875 1345.78918457031 0 13745.6116071429 0 0 15381.0574959462 8438.25848751734 958.8473173679 0 1263.70926636643 152 1.501 349.23892 w/o MS2:AAHFA 6:0/15:3;O [M-H]- ion correlated with 131; similar chromatogram in higher mz_198; similar chromatogram in higher mz_205; similar chromatogram in higher mz_1064 0.083 False 5.39 349.2384 C21H34O4 FAHFA ADLQPIIBHJGERZ-UHFFFAOYSA-N O=C(OC(C(=O)O)CCCC=CCC=CCC=CCC)CCCCC 530 True True False False False null null 99.9 99.9 null null null 171.89 B. cold 3 349.23892:9055 350.24227:2657 351.24563:2203 59 0 83 0 0 0 0 27212 24489 23592 25780 25590 24437 21928 0 29233 30023 35383 12180 75424 86921 0 0 0 0 0 31546.208984375 58175.220703125 0 47.4486897786458 24718.3244977679 0 0 3346.42370633575 40245.313620818 0 42.8796670999546 1697.74698408356 155 5.319 351.32748 FA 23:1 [M-H]- ion correlated with 352 0.542 True 7.86 351.3269 C23H44O2 FA FDQDIODRWMXTEH-UHFFFAOYSA-N O=C(O)CCCCCCCCCCC=CCCCCCCCCCC 410 True True True False False null null 100 100 75 75 100 290.51 QC-1 351.32681:22233 352.33016:7266 353.33352:1181 187.01059:37 235.11987:50 255.23285:60 255.70663:18 266.32639:12 291.19467:57 308.0177:28 331.06583:27 349.56915:12 351.07379:9 351.14056:11 351.17047:37 351.20999:33 351.32654:13361 351.40005:91 351.4783:46 351.56635:38 351.61111:26 351.67172:71 351.71973:49 351.76913:30 351.79297:11 351.82349:43 10217 10107 10119 0 0 0 0 162621 154477 147808 145393 151564 149757 142627 0 332010 356101 268704 314314 380818 361373 11457 14162 11329 0 0 318938.125 352168.416666667 12315.8515625 10147.7161458333 150606.734375 0 0 45140.7749874953 34194.1794067086 1599.94295544173 60.646399815634 6578.44209216939 158 6.178 353.34265 FA 23:0 [M-H]- similar chromatogram in higher mz_1234; similar chromatogram in higher mz_401 0.792 True 8.31 353.3425 C23H46O2 FA XEZVDURJDFGERA-UHFFFAOYSA-N O=C(O)CCCCCCCCCCCCCCCCCCCCCC 410 True True True False False null null 100 100 75 75 100 382.17 B. room temp 2 353.34247:25671 354.34582:6914 355.34918:1257 202.86938:15 231.06332:21 292.91373:8 351.2063:12 353.03769:37 353.246:125 353.34174:14483 353.44275:68 353.49789:17 353.52921:71 353.58688:48 353.63974:24 353.68433:32 353.72507:14 353.74933:17 353.7851:22 353.81479:18 167026 188311 226106 3275 3397 6155 8241 117021 114758 110949 100484 102678 102541 106285 317 173301 191396 108677 149765 179342 155923 260986 191145 210804 2329.61251831055 7198.02612304688 157791.34375 161676.833333333 220978.203125 193814.364583333 107816.393973214 1743.66792712825 1475.6714306143 43485.707387867 15605.7003301757 36015.3636337418 29921.8057366869 6494.3218011254 160 3.463 355.32141 w/o MS2:FA 22:0;(2OH) [M-H]- ion correlated with 797 0.125 False 7.63 355.32181 C22H44O3 OxFA RPGJJWLCCOPDAZ-UHFFFAOYSA-N O=C(O)C(O)CCCCCCCCCCCCCCCCCCCC 530 True True False False False null null 99.9 99.9 null null null 69.25 P. room temp 2 355.32141:3580 356.32476:766 357.32812:0 33703 35339 37229 0 0 0 0 16496 15124 14700 13622 13986 14282 13162 0 1929 2068 969 1556 2329 3193 45516 47180 46635 0 0 1655.36383056641 2359.24943033854 46443.6783854167 35423.6653645833 14481.6291852679 0 0 598.20939060484 818.98003251937 847.998323675814 1764.64910100609 1101.70904390604 161 2.175 359.22052 w/o MS2:NAGlySer 12:0;O [M+FA-H]- ion correlated with 173; ion correlated with 403; adduct linked to 173_[M+Hac-H]- 0.542 False 4.06 359.21881 C17H32N2O6 NAGlySer YUCZCTFLKMJPRK-UHFFFAOYSA-N O=C(NC(C(=O)O)CO)CNC(=O)CC(O)CCCCCCCCC 530 True True False False False null null 98.6 100 null null null 158.82 B. room temp 1 359.22052:9243 360.22387:1807 361.22723:290 4973 4975 5357 0 0 0 0 59641 60711 59449 55197 54806 56710 56815 0 77904 74727 75231 50975 75304 72819 6106 5859 5966 0 0 75953.6927083333 66366.078125 5977.03645833333 5101.48111979167 57618.4302455357 0 0 1707.42829611462 13386.7853574995 123.882827377086 221.30850011875 2318.26935229537 162 2.606 361.23611 w/o MS2:AAHFA 7:0/15:4;O [M+FA-H]- ion correlated with 177; ion correlated with 410; adduct linked to 177_[M+Hac-H]- 0.542 False 5.41 361.2384 C22H34O4 FAHFA DTTXKRJRHWBFEC-UHFFFAOYSA-N O=C(OC(C=CCC=CCC=CCC=CCC)C(=O)O)CCCCCC 530 True True False False False null null 97.4 100 null null null 179.34 B. room temp 3 361.23611:10196 362.23946:1908 363.24282:261 12232 14205 13562 0 0 0 0 70645 62311 66457 65021 69062 69598 71390 0 93456 93819 90312 78712 96760 93684 16086 17082 15921 0 0 92529.2005208333 89718.4401041667 16363.1712239583 13333.0068359375 67783.4391741071 0 0 1928.67651859057 9655.30535388213 627.921259473151 1005.82050654006 3302.9901696617 163 3.143 363.25131 w/o MS2:RIKEN N-VS1 ID-1147 from Mouse_Brain_WT_N_F1AA [M-H]- ion correlated with 421; ion correlated with 180 0.542 False 5.98 363.2504 Unknown 530 True True False False False null null 99.6 100 null null null 82.65 B. room temp 2 363.25131:7749 364.25466:1822 365.25802:2725 4013 3702 3896 254 0 0 0 37025 39552 37094 32133 32204 34015 36421 0 65296 63303 56813 52088 60265 56368 4149 3906 3788 84.5572357177734 0 61803.9856770833 56240.4817708333 3947.75675455729 3870.31811523438 35491.9933035714 146.457428410761 0 4436.08685291378 4090.1817946071 184.34403889573 157.246574591026 2784.98058358959 165 1.488 365.27054 FA 22:3;2O [M-H]- similar chromatogram in higher mz_1064 0.792 True 6.24 365.26971 C22H38O4 OxFA SYICYCXZKNWLQZ-UHFFFAOYSA-N O=C(O)CCCCCCC(O)C(O)C=CCC=CCC=CCCCCC 410 True True True False False null null 100 99.9 27.3 75 100 61.3 QC-3 365.26978:14582 366.27313:3864 367.27649:646 44.07535:28 59.0176:6 99.04447:46 133.09412:43 157.09302:46 165.09235:14 185.14996:15 265.13644:15 269.21118:9 301.17599:24 319.22733:79 333.20517:52 345.8139:12 347.13232:20 347.16504:36 347.25858:5243 347.34497:25 347.38339:18 347.42999:15 347.49948:47 347.51263:19 347.5639:21 347.73138:10 347.84097:33 347.89249:18 347.92386:15 347.957:16 348.15518:14 348.26642:33 348.4599:7 353.39236:7 365.20862:85 365.26871:2967 365.30707:37 365.35968:19 365.42578:18 365.5054:10 365.61081:15 49978 54571 42188 0 0 0 0 136907 132409 127437 117754 118375 121543 122737 0 280761 373701 121605 184755 388519 422457 82941 73177 68194 0 0 258688.869791667 331910.432291667 74770.5390625 48912.375 125308.943080357 0 0 127489.092539139 128565.199228119 7501.60949108837 6260.16601310316 7250.43305559375 166 5.75 365.34332 FA 24:1 [M-H]- similar chromatogram in higher mz_528 0.542 True 8.13 365.3425 C24H46O2 FA AVPORSRTKOSBPH-UHFFFAOYSA-N O=C(O)CCCCCCCCCCCC=CCCCCCCCCCC 410 True True True False False null null 100 100 75 75 100 457.22 QC-3 365.34277:103170 366.34612:34128 367.34948:4425 165.96861:69 187.11336:20 188.50359:28 228.72047:8 283.26382:37 339.33398:29 347.26151:30 363.11127:15 363.26932:18 363.38788:15 363.41406:21 363.5932:11 363.65799:9 363.74356:5 363.80792:8 363.92923:5 364.61407:23 364.94406:6 365.10217:40 365.16852:41 365.3429:61826 365.70874:61 365.76941:71 365.81094:46 16886 18032 19056 0 0 0 0 779843 771083 759740 685682 690052 703160 714918 0 1508854 1696210 1280804 1555629 1832642 1712401 9716 9073 10285 0 0 1495289.04166667 1700223.95833333 9691.36263020833 17991.4290364583 729211.0625 0 0 208034.892066374 138907.569052361 606.544507841312 1085.17408266748 39917.0096047594 167 6.601 367.35886 FA 24:0 [M-H]- similar chromatogram in higher mz_271; similar chromatogram in higher mz_891 0.792 True 8.5 367.35818 C24H48O2 FA QZZGJDVWLFXDLK-UHFFFAOYSA-N O=C(O)CCCCCCCCCCCCCCCCCCCCCCC 410 True True True False False null null 100 100 75 75 100 344.61 P. cold 1 367.35831:61366 368.36166:14132 369.36502:1630 34.96888:15 42.80665:11 64.24079:57 267.84286:23 282.34137:12 365.327:17 366.00574:19 366.24042:10 366.68829:8 366.93839:17 366.9715:19 367.01782:31 367.15695:42 367.2326:49 367.2576:80 367.35791:35452 367.59216:109 367.63455:57 367.69324:38 367.72552:67 367.76675:45 367.80948:46 367.83182:46 448768 497423 562567 37295 26463 27538 34748 613704 570136 569980 546530 524353 549862 562916 21892 1630558 1781688 924057 1416259 1712832 1562618 596475 463529 473827 28550.126953125 31143.1826171875 1445434.39583333 1563903.08333333 511276.979166667 502919.708333333 562497.232142857 7910.97126042437 5098.11973944492 457805.5922538 148290.679496825 73962.7634504543 57098.3540410373 27707.49158355 168 2.541 369.30038 w/o MS2:AAHFA 14:0/8:0;O [M-H]- 0.042 False 6.99 369.30099 C22H42O4 FAHFA JHOWJFWBEZIMMF-UHFFFAOYSA-N O=C(OC(C(=O)O)CCCCCC)CCCCCCCCCCCCC 530 True True False False False null null 99.8 99.9 null null null 11.2 P. room temp 1 369.30038:4166 370.30373:1040 371.30709:256 1963 1773 646 0 19 0 0 5816 5839 4589 5309 4808 5440 6170 0 2666 1847 4725 2325 10608 7606 29899 2996 2155 6.32234382629395 0 3079.21728515625 6846.35807291667 11683.3307291667 1460.25040690104 5424.36404854911 10.9506207300605 0 1483.05333211249 4193.36696451409 15780.4622185294 711.865149832003 573.423369443056 169 3.808 369.33768 w/o MS2:FA 23:0;(2OH) [M-H]- 0.042 False 7.97 369.3374 C23H46O3 OxFA JZWLIRVAYJRWLN-UHFFFAOYSA-N O=C(O)C(O)CCCCCCCCCCCCCCCCCCCCC 530 True True False False False null null 100 99.9 null null null 13.87 P. cold 3 369.33768:3122 370.34103:1083 371.34439:0 33878 33579 41926 0 0 0 0 9166 12133 13068 7400 10076 8589 10781 0 1580 1884 1556 2258 1607 43 19089 37860 41329 0 0 1673.16194661458 1302.5995648702 32759.49609375 36460.7838541667 10173.1910574777 0 0 183.002201279458 1138.44975241279 11965.5882496376 4735.30226738612 1992.23972169185 170 1.253 371.18146 w/o MS2:LPG O-9:0 [M-H]- 0.042 False 3.87 371.18399 C15H33O8P EtherLPG HSGVSKPUNCKRTA-UHFFFAOYSA-N O=P(O)(OCC(O)CO)OCC(O)COCCCCCCCCC 530 True True False False False null null 96.8 100 null null null 62.2 B. cold 1 371.18146:3110 372.18481:551 373.18817:4438 0 0 0 0 0 0 0 20169 24403 20069 16793 18244 16675 18294 0 14506 43623 20036 45097 11137 11668 215 0 0 0 0 26054.8470052083 22633.763671875 71.7375233968099 0 19235.1863839286 0 0 15463.3867541001 19455.4027389694 124.253035332436 0 2666.35665830922 171 1.347 371.19946 Unknown [M-H]- 0.083 False null null null null null null 999 False False False False False null null null null null null null 88.75 B. cold 3 371.19946:4688 372.20281:817 373.20617:3492 6789 5021 348 0 0 0 0 16761 12042 13695 13901 11249 12163 11465 0 17984 0 5941 0 28440 31829 1991 60 0 0 0 7974.76041666667 20089.3463541667 683.833026885986 4052.91643269857 13039.3694196429 0 0 9162.66951417944 17480.2079003239 1132.77852333939 3327.75872206158 1935.1141164094 172 1.172 373.19751 Unknown [M-H]- 0.542 False null null null null null null 999 False False False False False null null null null null null null 123.78 B. cold 3 373.19751:7146 374.20086:1976 375.20422:0 609 355 0 0 0 0 0 68439 65085 62085 65997 62330 67143 60313 0 60419 47047 63801 58290 70519 76115 1473 0 0 0 0 57088.8359375 68308.078125 491.064249674479 321.41855875651 64484.6635044643 0 0 8859.38479756971 9116.01042104731 850.548230216886 305.926003988736 2976.39562602142 173 2.173 373.20486 Unknown [M+Hac-H]- ion correlated with 161; ion correlated with 403; similar chromatogram in higher mz_403; adduct linked to 161_[M+FA-H]- 0.542 True null null null null null null 999 False False False False False null null null null null null null 166.47 QC-1 373.20514:9640 374.20849:2003 375.21185:5440 233.22701:24 246.04189:27 275.72723:21 275.95105:22 275.96826:8 276.74951:31 277.02322:17 277.21667:17978 277.2934:71 277.37643:44 277.43973:19 277.46274:82 277.49152:32 277.55524:20 277.60666:29 277.65057:27 277.68338:25 277.70428:27 277.74652:27 277.78275:22 277.8399:9 277.88309:42 277.952:33 278.03549:24 278.05963:14 278.11353:17 278.21808:130 278.30951:24 278.61511:15 279.21527:28 279.46399:12 327.28134:38 329.17667:25 373.04727:13 373.14072:6 373.19876:27 7319 9049 8233 0 0 0 0 70965 60619 59605 56112 53293 52336 53663 0 80412 79836 77109 43966 74954 71464 10092 7545 8499 0 0 79118.890625 63461.2877604167 8712.05973307292 8200.44580078125 58084.8035714286 0 0 1764.05720211021 16973.4467728429 1287.10481483333 865.489766488077 6507.48573054466 174 2.75 373.2587 w/o MS2:FA 20:1;4O [M+FA-H]- adduct linked to 204_[M+Hac-H]- 0.083 False 5.66 373.25961 C20H38O6 OxFA RBUZMKOSKPNUTQ-UHFFFAOYSA-N O=C(O)CCCCCCCC(O)C(O)C=CCCCC(O)CCCCO 530 True True False False False null null 99.6 100 null null null 65.08 B. room temp 2 373.2587:3342 374.26205:1091 375.26541:428 0 0 0 0 0 0 0 12408 10301 10106 9942 9294 10242 8942 0 23289 22414 19096 19648 16916 17192 0 0 0 0 0 21599.6848958333 17918.66796875 0 0 10176.3832310268 0 0 2211.96774055344 1503.98345972665 0 0 1107.81614896156 175 1.197 375.15787 Unknown [M-H]- 0.542 False null null null null null null 999 False False False False False null null null null null null null 203.38 QC-1 375.15787:12530 376.16122:2573 377.16458:1037 1477 969 815 0 0 0 0 112452 103390 94398 94985 95544 95773 90143 0 102776 107089 102694 86328 87739 87030 869 0 316 0 0 104186.697916667 87032.2864583333 394.866383870443 1087.09100341797 98097.8069196429 0 0 2513.95092066784 705.357863583151 439.723595138281 346.659967829915 7445.88962841206 176 2.172 375.19482 Unknown [M-H]- ion correlated with 444 0.542 False null null null null null null 999 False False False False False null null null null null null null 97.85 B. room temp 2 375.19482:9017 376.19817:1793 377.20153:790 2752 2795 3535 0 0 0 0 35738 35050 33089 29817 29861 33616 32808 0 38301 78565 58584 40477 30705 31806 3512 11427 5208 0 0 58483.2591145833 34329.2688802083 6715.90144856771 3027.05135091146 32854.1420200893 0 0 20132.384394703 5352.07898059807 4167.3071678079 440.03899828036 2308.18693448525 177 2.606 375.22061 w/o MS2:FA 22:6;3O [M+Hac-H]- ion correlated with 162; ion correlated with 410; adduct linked to 162_[M+FA-H]- 0.542 False 5.25 375.21771 C22H32O5 OxFA NNILKONNAUOLQF-UHFFFAOYSA-N O=C(O)CC(O)C=CCC=CCC=CC=CC(O)CC=CCC=CC(O)C 530 True True False False False null null 95.9 100 null null null 205.21 QC-1 375.22061:11674 376.22396:2886 377.22732:4840 17695 19084 17209 0 0 0 0 93352 78464 72978 71359 72695 74652 78200 0 102779 100147 98515 86316 99303 93616 21975 17317 21820 0 0 100480.184895833 93078.3385416667 20370.7858072917 17995.9505208333 77385.5926339286 0 0 2151.25171056307 6509.93919784505 2646.07866889133 973.238905682661 7549.55805177148 179 2.606 377.21042 Unknown [M-H]- 0.5 False null null null null null null 999 False False False False False null null null null null null null 52.08 B. room temp 2 377.21042:6740 378.21377:1175 379.21713:721 4965 6162 6938 0 0 0 0 33452 28638 28358 26141 28758 28670 27558 0 32931 65675 45967 42941 29395 28846 7652 19957 11171 0 0 48191.2083333333 33727.4615885417 12926.4480794271 6021.68766276042 28796.4522879464 0 0 16484.9927055518 7983.94526306539 6337.34416297719 993.766475363898 2254.35043241476 180 3.129 377.23672 Unsettled: FA 22:5;3O [M-H]- 0.292 True 5.13 377.23331 C22H34O5 OxFA PMZAGFDPWMBNHL-UHFFFAOYSA-N O=C(O)CCCC(O)C(O)C=CCC=CCC=CCC=CCC=CC(O)C 530 True True False False True null null 37.7 100 null null null 17.53 B. room temp 2 377.23672:10216 378.24007:2675 379.24343:3822 44.99791:411 47.09732:10 253.10591:53 281.16486:6 281.24823:11936 281.32837:51 281.39087:32 281.43146:18 281.45465:56 281.5126:31 281.55042:55 281.58798:44 281.60971:42 281.6568:14 281.70407:21 281.74002:24 281.79678:37 281.84317:6 281.91278:37 281.98822:32 282.04062:6 282.0672:16 282.12823:14 282.22623:44 282.25519:57 282.34229:7 282.48746:5 282.66751:10 282.72852:14 282.92319:7 283.65018:27 292.98471:16 331.26147:33 5273 5731 6599 1193 214 133 974 54379 45944 44568 44068 46619 44371 41418 152 80781 86038 71863 70958 76696 77775 6146 4333 5064 519.580067952474 553.651458740234 79560.5677083333 75142.8203125 5181.095703125 5867.78466796875 45909.4799107143 584.187734150172 594.820477201188 7165.89346738656 3663.74498135325 912.344275250931 673.760184932757 4081.74451914086 191 3.145 379.2272 Unknown [M-H]- ion correlated with 364 0.042 False null null null null null null 999 False False False False False null null null null null null null 14.15 B. room temp 2 379.2272:3496 380.23055:899 381.23391:561 1526 1476 1480 0 0 0 0 14827 13089 12282 10096 11499 13122 12423 0 18727 29472 21618 20894 16927 14685 901 3061 1777 0 0 23272.255859375 17502.1009114583 1913.14642333984 1493.9286702474 12476.9670758929 0 0 5560.05057252861 3143.99840311462 1086.53230440216 28.127566741363 1470.81288871767 193 6.163 379.35898 FA 25:1 [M-H]- similar chromatogram in higher mz_867 0.542 True 8.4 379.35818 C25H48O2 FA DZLXTCFDFPGICK-UHFFFAOYSA-N O=C(O)CCCCCCCCCCCCC=CCCCCCCCCCC 410 True True True False False null null 100 100 75 75 100 389.31 QC-6 379.35831:41050 380.36166:13428 381.36502:1729 44.99732:79 46.00216:35 179.29504:65 283.23877:51 283.26508:136 319.21545:30 333.20065:17 336.90051:9 353.33929:27 377.26346:19 377.49167:30 377.5455:15 377.64575:65 378.83557:7 378.99548:14 379.25943:133 379.35751:26267 379.45557:211 379.50726:84 379.53815:61 379.57431:39 379.61594:47 379.65121:58 379.70734:54 379.74408:65 379.77991:35 379.81143:47 379.84473:44 5269 5236 4698 0 0 0 0 342298 333058 321227 298782 304967 302053 309238 0 847428 942958 604424 827523 988349 887760 2851 2960 2483 0 0 798269.979166667 901210.6875 2765.10660807292 5067.85921223958 315946.107142857 0 0 174538.825857168 81252.0680851946 249.93436302072 320.642658253159 16674.7595006127 194 1.413 381.26385 w/o MS2:FA 22:3;3O [M-H]- similar chromatogram in higher mz_1014 0.5 False 5.79 381.26459 C22H38O5 OxFA QGIYDIZEXFWHDD-UHFFFAOYSA-N O=C(O)CCCCCCC(O)C(O)C=CCC=CCC=CCCCC(O)C 530 True True False False False null null 99.7 99.9 null null null 76.64 B. room temp 1 381.26385:7889 382.2672:1684 383.27056:633 2459 646 1019 0 0 0 0 42431 40957 41680 37035 34904 34647 35873 0 76252 55815 69167 42155 37112 32612 7731 3435 6139 0 0 67078.2825520833 37292.9934895833 5768.35050455729 1374.70300292969 38218.1534598214 0 0 10377.1943255558 4773.96059421331 2171.82929240359 957.093348907446 3363.41335243486 195 1.701 381.26447 w/o MS2:FA 22:3;3O [M-H]- 0.167 False 5.79 381.26459 C22H38O5 OxFA QGIYDIZEXFWHDD-UHFFFAOYSA-N O=C(O)CCCCCCC(O)C(O)C=CCC=CCC=CCCCC(O)C 530 True True False False False null null 100 99.9 null null null 71.09 B. cold 2 381.26447:4456 382.26782:1201 383.27118:230 235 782 334 0 0 0 0 13636 13477 13608 11145 11276 11216 11133 0 32420 35680 21493 33856 40423 40199 483 887 1155 0 0 29864.3561197917 38158.92578125 841.498128255208 450.226587931315 12212.9694475446 0 0 7431.2315038828 3728.33558548467 337.948588807955 291.729281789541 1274.65445431592 196 2.62 381.30072 w/o MS2:AAHFA 15:1/8:0;O [M-H2O-H]- ion correlated with 470; adduct linked to 231_[M-H]- 0.208 False 6.91 381.30099 C23H42O4 FAHFA XTRPQJABJNSNCP-UHFFFAOYSA-N O=C(OC(C(=O)O)CCCCCC)CCCCCCCC=CCCCCC 530 True True False False False null null 100 99.9 null null null 56.92 B. room temp 1 381.30072:4307 382.30407:1259 383.30743:1018 0 0 0 0 0 0 0 11986 11644 10330 12651 11928 11246 12140 0 32315 28062 27406 29240 22645 22425 0 0 0 0 0 29260.9453125 24769.7552083333 0 0 11703.5147879464 0 0 2664.97390594662 3872.57212153671 0 0 743.693172554581 197 6.97 381.37448 FA 25:0 [M-H]- similar chromatogram in higher mz_810; similar chromatogram in higher mz_656; similar chromatogram in higher mz_1167 0.792 True 8.92 381.37381 C25H50O2 FA MWMPEAHGUXCSMY-UHFFFAOYSA-N O=C(O)CCCCCCCCCCCCCCCCCCCCCCCC 410 True True True False False null null 100 100 75 75 100 161.4 P. room temp 3 381.37381:20402 382.37716:6334 383.38052:643 42.86274:14 255.23183:57 284.26114:52 379.15198:5 379.33365:6 379.68997:6 379.79816:16 381.1799:31 381.27435:53 381.37335:13315 381.46158:64 381.5983:36 381.64291:32 381.67719:26 381.74683:32 381.80249:13 381.86316:16 134804 145984 170511 8442 11813 14850 19315 98153 101616 91236 81809 88578 86341 81321 10402 183648 194458 93270 190541 247197 209805 199000 146426 163538 10219.2161458333 17082.3154296875 157125.34375 215847.854166667 169654.614583333 150433.015625 89865.015625 1692.72104035498 3157.24973188105 55564.1351146081 28806.9811802592 26815.6586547937 18264.281647892 7752.86691354037 198 1.486 383.28003 w/o MS2:FA 22:2;3O [M-H]- similar chromatogram in higher mz_205; similar chromatogram in higher mz_1064 0.125 False 5.95 383.2803 C22H40O5 OxFA KWUYEKPVKCAWKU-UHFFFAOYSA-N O=C(O)CCCCCCC(O)C(O)CCCC=CCC=CCCCC(O)C 530 True True False False False null null 100 99.9 null null null 25.1 B. cold 2 383.28003:3590 384.28338:1352 385.28674:0 5222 13025 2036 0 0 0 0 12047 9612 10038 10210 10176 11023 12296 0 26301 28647 11007 19299 32612 29332 12549 8920 301 0 0 21984.9140625 27081.0774739583 7256.82880655925 6760.78491210938 10771.7392578125 0 0 9579.04420700947 6935.86482839645 6291.27383912104 5654.21074216574 1046.30579039183 199 2.877 383.3165 w/o MS2:FAHFA 2:0/21:0;O [M-H]- 0.25 True 7.33 383.31671 C23H44O4 FAHFA ZNEFSFWUHSAXOS-UHFFFAOYSA-N O=C(O)CCCCCCCC(OC(=O)C)CCCCCCCCCCCC 530 True True False False False null null 64.6 99.9 null null null 14.3 B. cold 1 383.3165:8202 384.31985:2196 385.32321:1518 44.99529:22 59.01418:407 99.08249:67 127.04107:42 127.07673:432 145.08643:1668 145.2299:27 145.24657:15 145.3633:19 145.38818:20 145.45515:6 145.54446:8 145.75507:8 191.05727:126 255.14433:28 255.23238:3131 255.33096:16 255.37602:24 255.40288:7 255.45259:13 255.47635:10 255.6404:23 255.73985:17 256.0531:11 256.22733:22 256.38678:21 278.18246:25 323.15076:100 337.30682:29 355.22525:50 383.22302:46 383.34164:16 756 480 450 83 0 0 0 23748 20769 23323 23091 21392 23531 23143 0 56498 57317 51669 62521 55204 55592 332 771 271 27.812978108724 0 55161.2408854167 57772.5130208333 457.942443847656 562.083068847656 22713.6213727679 48.1734911941108 0 3051.98784458378 4116.76196759224 272.721694580189 168.917738917189 1152.08169730418 200 4.273 383.35327 FA 24:0;O [M-H]- 0.375 True 7.76 383.35309 C24H48O3 OxFA DBQCMUUXNYUQBH-UHFFFAOYSA-N O=C(O)CCCCCCCC(O)CCCCCCCCCCCCCCC 410 True True True False False null null 100 99.9 71.1 75 100 160.26 P. room temp 2 383.35312:13812 384.35647:3796 385.35983:501 59.01456:183 116.57117:45 166.98424:16 304.99863:36 323.07422:8 323.15421:75 337.345:111 365.3389:91 380.97009:18 381.11774:9 381.96216:17 382.86761:7 383.00983:79 383.25311:48 383.35272:6534 383.48593:48 383.55759:18 383.61896:33 383.72702:30 383.77597:11 383.82465:6 77015 73068 77279 174 194 0 203 52680 53118 46815 39859 40812 38087 39645 0 22288 20343 19577 23415 16811 17270 74985 110548 122114 122.583953857422 101.414237976074 20736.0104166667 19165.080078125 102548.989583333 75787.4661458333 44430.9430803571 106.617751512987 143.421390763497 1397.4057445293 3687.62103596091 24561.4413871231 2358.6671874479 6407.42991023982 201 4.448 383.35352 w/o MS2:FA 24:0;(2OH) [M-H]- 0.25 True 8.12 383.35309 C24H48O3 OxFA MSUOLNSQHLHDAS-UHFFFAOYSA-N O=C(O)C(O)CCCCCCCCCCCCCCCCCCCCCC 530 True True False False False null null 99.9 99.9 null null null 205.26 P. room temp 1 383.35352:15015 384.35687:4923 385.36023:587 59.01391:1119 59.04366:7 59.09788:5 61.98724:28 163.05579:44 323.15338:141 382.90793:48 382.97549:42 383.30026:180 383.35236:7885 383.43045:23 383.47607:20 383.54102:13 383.58432:40 383.61121:28 383.76709:17 383.80743:11 383.84619:14 89751 96546 117212 217 0 652 0 30859 28934 27452 28357 30603 32413 28468 0 2346 2054 2328 1531 3858 1996 125184 104878 116874 72.4644368489583 326.035675048828 2242.81453450521 2461.54988606771 115645.3515625 101169.700520833 29583.9017857143 125.512086364262 461.08407347152 163.591241481449 1231.38475161989 10208.4933008057 14302.5760138507 1750.63673972165 203 2.467 385.23593 w/o MS2:NAGlySer 14:1;O [M+FA-H]- adduct linked to 230_[M+Hac-H]- 0.542 False 4.56 385.23441 C19H34N2O6 NAGlySer PCKJYZIHFNOWHT-UHFFFAOYSA-N O=C(O)C(NC(=O)CNC(=O)CC(O)CCCCCC=CCCCC)CO 530 True True False False False null null 98.8 100 null null null 58.25 QC-1 385.23593:6896 386.23928:1845 387.24264:408 2971 3205 2255 0 0 0 0 65720 62575 65112 55757 59623 59845 60501 0 67803 67527 68894 59841 67921 67121 2974 3386 2465 0 0 68074.7630208333 64960.8385416667 2941.95678710938 2810.46053059896 61304.7946428571 0 0 722.544089958812 4452.1155828968 461.610193823403 494.750755343295 3463.87715420993 204 2.741 387.27441 Unknown [M+Hac-H]- adduct linked to 174_[M+FA-H]- 0.333 True null null null null null null 999 False False False False False null null null null null null null 123.31 B. room temp 2 387.27441:8395 388.27776:2212 389.28112:275 44.99781:54 45.06498:8 59.01388:4537 59.04414:22 59.0614:35 59.10522:5 59.11319:5 59.23837:16 59.25142:5 59.26468:5 59.32126:7 59.40313:21 59.49636:7 155.91357:18 253.18295:38 253.21384:94 253.36993:22 259.11716:38 291.19244:33 303.22961:18 305.24777:125 305.52512:9 0 0 0 0 0 0 0 25447 21534 22292 21617 21665 22583 22149 0 62868 64407 50370 50081 53586 50683 0 0 251 0 0 59214.8645833333 51450.0065104167 83.6052703857422 0 22469.6637834821 0 0 7698.46897671571 1873.88501578225 144.808576088639 0 1370.08625069733 205 1.479 388.15479 Unknown [M-H]- similar chromatogram in higher mz_1059 0.792 True null null null null null null 999 False False False False False null null null null null null null 138.44 P. cold 1 388.15543:11061 389.15878:2847 390.16214:325 151.02725:40 164.03345:134 228.03732:34 228.064:48 240.04672:14 256.09775:87 264.0683:43 282.0527:63 283.08612:47 292.19867:79 386.52197:7 388.05368:55 388.15494:5195 388.26984:30 388.32489:16 388.37881:19 388.47968:16 388.53546:8 388.56271:16 388.59674:7 388.65115:5 75313 73677 94405 0 0 0 0 46378 44383 44782 41813 40231 40393 41867 0 33350 44754 38592 26877 35780 29695 82126 82783 91680 0 0 38898.6484375 30784.318359375 85529.6484375 81131.4895833333 42835.0831473214 0 0 5707.94002311248 4550.45651127387 5336.57251399084 11524.2731045616 2361.625273966 206 1.178 389.17081 w/o MS2:LPA 15:3 [M+Hac-H]- adduct linked to 703_[2M+Hac-H]- 0.542 True 4.32 389.17349 C18H31O7P LPA CVYRHYDZPWXVOM-UHFFFAOYSA-N O=C(OCC(O)COP(=O)(O)O)CCCCC=CCC=CCC=CCC 530 True True False False False null null 96.5 100 null null null 1260.53 B. room temp 2 389.17081:83077 390.17416:18727 391.17752:7181 59.01327:642 66.4751:46 97.07022:9 108.47864:18 153.09033:46 165.12633:198 219.12828:30 247.16331:21 247.20415:247 247.42896:10 247.65793:9 260.08316:16 262.71558:25 273.18182:93 289.17682:16 289.56863:5 289.59628:7 289.69083:7 289.72644:5 289.92062:13 290.83322:30 290.98062:42 291.00418:48 291.06903:19 291.19421:48207 291.44049:61 291.49774:78 291.53311:66 291.58267:48 291.61652:46 291.64761:67 291.6828:63 291.7287:40 291.77094:56 291.78909:46 291.81281:38 291.8418:33 291.8887:50 291.91855:81 291.95386:42 291.96579:33 291.99875:24 292.0423:33 292.0957:30 292.17337:34 292.19946:175 292.23254:16 292.2637:6 292.29062:9 292.38495:8 292.42651:16 292.47968:34 292.67474:6 292.72879:14 292.79221:13 292.87729:7 292.98813:9 293.11234:16 295.64383:20 296.39291:35 303.966:35 315.18869:25 328.67261:32 328.89172:12 329.09869:29 329.14932:910 329.51886:6 329.66943:29 371.1857:51 387.15744:11 389.06351:49 389.16953:3635 389.26797:6 389.32324:8 389.36423:10 389.54214:13 389.60904:40 3238 3659 3098 0 0 0 0 507207 504604 482179 485681 499215 493446 475548 0 534729 735821 635445 585718 461800 491551 5751 3796 4934 0 0 635331.625 513022.958333333 4826.91967773438 3331.65926106771 492554.191964286 0 0 100546.204137408 64688.8875215347 981.811515977324 292.156993286975 11896.3538936255 207 2.611 389.24573 Unknown [M-H]- ion correlated with 415 0.167 False null null null null null null 999 False False False False False null null null null null null null 71.78 B. room temp 2 389.24573:6000 390.24908:1652 391.25244:3311 354 0 273 0 0 0 0 8387 8895 9217 7638 6803 8771 7044 0 34141 42815 29955 20996 23069 20448 530 2329 1051 0 0 35636.9713541667 21504.328125 1303.13222249349 208.792246500651 8107.91866629464 0 0 6559.5434816768 1382.56510765499 925.592643050951 185.292507486895 950.729896282034 223 6.572 393.37311 w/o MS2:FA 26:1 [M-H]- similar chromatogram in higher mz_1012 0.542 False 8.72 393.37381 C26H50O2 FA ALQCJXNGZHBRNR-UHFFFAOYSA-N O=C(O)CCCCCCCCCCCCCC=CCCCCCCCCCC 530 True True False False False null null 99.8 100 null null null 21.15 B. cold 3 393.37311:12759 394.37646:3405 395.37982:505 0 312 0 0 0 0 0 42864 39297 38584 39983 40833 39301 40510 0 83803 94032 68216 84242 103615 98089 0 0 0 0 0 82017.0052083333 95315.5130208333 0 104.010365804036 40195.9676339286 0 0 13000.0481195735 9979.72851904615 0 180.151238086416 1406.82438476422 225 6.91 395.38907 w/o MS2:FA 26:0 [M-H]- 0.208 False 9.42 395.3895 C26H52O2 FA XMHIUKTWLZUKEX-UHFFFAOYSA-N O=C(O)CCCCCCCCCCCCCCCCCCCCCCCCC 530 True True False False False null null 99.9 100 null null null 67.79 QC-1 395.38907:4998 396.39242:1559 397.39578:312 0 256 0 0 0 0 316 60704 58829 57971 62957 61640 53697 52988 0 267 774 46355 0 0 2070 246 0 0 0 158.005706787109 15798.4000651042 689.949055989583 82.075693766276 85.1809387207031 58398.0641741071 0 223.453813470677 26463.6188865473 1195.02681960814 142.159271669654 147.537713700669 3837.42630898687 226 2.998 397.33173 w/o MS2:AAHFA 16:0/8:0;O [M-H]- 0.208 False 7.71 397.33231 C24H46O4 FAHFA XSZSUFLRSZKUBX-UHFFFAOYSA-N O=C(OC(C(=O)O)CCCCCC)CCCCCCCCCCCCCCC 530 True True False False False null null 99.8 99.9 null null null 105.01 B. cold 1 397.33173:8646 398.33508:1734 399.33844:357 0 0 367 0 0 0 0 36435 31101 23955 27215 28600 31269 21436 0 67864 62551 39407 140212 106031 93891 0 0 0 0 0 56607.2252604167 113378.1328125 0 122.36952718099 28573.1565290179 0 0 15130.44433129 24018.5802043877 0 211.950238375655 4992.94471400594 227 2.545 397.33209 w/o MS2:AAHFA 16:0/8:0;O [M-H]- similar chromatogram in higher mz_247; similar chromatogram in higher mz_251 0.208 False 7.71 397.33231 C24H46O4 FAHFA XSZSUFLRSZKUBX-UHFFFAOYSA-N O=C(OC(C(=O)O)CCCCCC)CCCCCCCCCCCCCCC 530 True True False False False null null 100 99.9 null null null 167.96 B. cold 1 397.33209:13892 398.33544:3594 399.3388:496 0 0 0 0 0 0 0 33739 35712 31917 29491 27726 34613 29304 0 48589 42291 38120 133907 96343 93860 0 0 0 0 0 43000.16796875 108036.651041667 0 0 31785.9508928571 0 0 5270.69314173534 22438.7267216959 0 0 3031.73665349492 228 4.879 397.36835 w/o MS2:FA 25:0;(2OH) [M-H]- 0.25 False 8.36 397.36871 C25H50O3 OxFA CUSDWPFQTXVFJL-UHFFFAOYSA-N O=C(O)C(O)CCCCCCCCCCCCCCCCCCCCCCC 530 True True False False False null null 99.9 99.9 null null null 91.94 P. room temp 1 397.36835:6845 398.3717:2681 399.37506:298 41745 42990 53773 0 0 0 0 18171 16553 17154 14655 16613 14137 15327 0 0 0 0 0 787 243 55887 47157 46871 0 0 0 343.160100301107 49971.66796875 46169.01171875 16086.9806082589 0 0 0 402.844919931385 5124.99804341051 6614.21436827443 1438.02977175774 229 3.227 398.30536 Unknown [M-H]- similar chromatogram in higher mz_254 0.542 False null null null null null null 999 False False False False False null null null null null null null 85.99 IS 2 398.30536:8507 399.30871:2413 400.31207:3070 23618 23771 25641 0 0 28931 73507 26661 24736 24777 23278 23162 24931 21884 0 32667 42020 36386 31328 35714 21057 28610 45411 36967 0 51218.880859375 37024.1204427083 29366.1829427083 36996.1373697917 24343.6282552083 24204.03515625 0 31520.22665972 4709.30161738332 7522.94387736673 8400.35237012257 1126.54676127889 1554.83066612803 230 2.455 399.22028 w/o MS2:LPG O-11:0 [M+Hac-H]- adduct linked to 144_[M-H]-; adduct linked to 203_[M+FA-H]- 0.542 False 4.67 399.2153 C17H37O8P EtherLPG LZMRWVFONMNZTJ-UHFFFAOYSA-N O=P(O)(OCC(O)CO)OCC(O)COCCCCCCCCCCC 530 True True False False False null null 88.4 100 null null null 90.19 QC-1 399.22028:6965 400.22363:1932 401.22699:3367 3739 2322 4128 0 0 0 0 66707 46053 45545 41570 44339 41295 43215 0 48018 44310 46855 42896 45141 47118 5061 3504 3909 0 0 46394.1197916667 45051.4674479167 4157.69205729167 3396.04850260417 46960.4737723214 0 0 1896.23969649867 2112.55631736431 807.947849796192 950.576294778835 8895.74898600116 231 2.621 399.2749 w/o MS2:FA 22:2;4O [M-H]- adduct linked to 196_[M-H2O-H]- 0.167 False 5.37 399.27521 C22H40O6 OxFA ZJJWHEKZEHZFNC-UHFFFAOYSA-N O=C(O)CCC(O)CCCC(O)C(O)CCCC=CCC=CCCCC(O)C 530 True True False False False null null 100 100 null null null 79.52 B. room temp 3 399.2749:4307 400.27825:887 401.28161:214 16477 17161 14241 0 0 0 47 34496 28913 26707 27894 27574 25251 26923 0 42070 40213 41384 33725 31025 30218 17296 19588 16904 0 23.6592655181885 41222.3841145833 31656.1184895833 17929.2779947917 15959.625 28251.1489955357 0 33.4592541716083 938.767374754796 1836.98683229205 1449.85637406806 1527.23818420021 2976.94425810912 232 3.708 399.3475 w/o MS2:RIKEN N-VS1 ID-1461 from Mouse_Feces_WT_ABX_Ctr [M-H]- 0.042 False 8.06 399.34741 Unknown 530 True True False False False null null 100 99.9 null null null 138.3 B. cold 1 399.3475:7839 400.35085:1840 401.35421:372 0 0 117 0 0 0 0 24949 29003 18298 17020 15645 21045 20826 0 62577 52561 39323 129826 55610 54088 44 0 48 0 0 51487.0104166667 79841.3893229167 30.4158744812012 38.9087168375651 20969.251953125 0 0 11664.4430652163 43294.8119923424 26.4108930535935 67.3918744199734 4681.30880792557 233 3.19 399.34818 Unknown [M-H]- 0.25 True null null null null null null 999 True False False False True null null null null null null null 259.86 B. cold 1 399.34818:23809 400.35153:5826 401.35489:833 169.02596:29 290.99402:36 295.29602:42 303.23355:17 322.16708:15 323.32986:35 335.33777:51 353.34198:60 354.17783:11 396.67526:15 396.84735:5 397.14893:14 399.13937:15 399.20502:72 399.34775:11428 399.45401:53 399.5098:20 399.57791:46 399.59955:25 399.70242:23 399.73648:32 399.78659:12 399.8219:23 0 0 0 0 0 0 0 29828 30983 29599 26530 26428 26446 26360 0 125475 119462 69155 250595 161408 128503 0 0 0 0 0 104697.15625 180168.536458333 0 0 28024.9913504464 0 0 30926.9924189529 63171.0828343124 0 0 2022.02625637724 234 2.453 401.21008 Unknown [M-H]- 0.292 False null null null null null null 999 False False False False False null null null null null null null 36.5 B. room temp 2 401.21008:4369 402.21343:1058 403.21679:337 1429 1318 2391 0 0 0 0 35217 29523 27139 25829 27009 31415 28868 0 25482 49359 39800 36000 24018 24761 2291 5551 2584 0 0 38213.4563802083 28259.591796875 3475.32267252604 1712.916015625 29285.6110491071 0 0 12017.104798724 6713.62980165189 1803.91332637105 590.0786926936 3206.35496285782 236 2.263 405.29141 Unknown [M-H]- ion correlated with 517 0.042 False null null null null null null 999 False False False False False null null null null null null null 13.93 B. room temp 2 405.29141:3081 406.29476:688 407.29812:0 0 0 0 0 0 0 0 12276 12163 10566 10436 10761 9787 10426 0 23813 24454 22631 17781 17843 18981 0 0 0 0 0 23632.6764322917 18201.5032552083 0 0 10916.5654296875 0 0 924.673180662624 675.505004006842 0 0 939.47570452034 237 1.119 407.18518 Unknown [M-H]- ion correlated with 149 0.042 False null null null null null null 999 False False False False False null null null null null null null 105.18 B. cold 3 407.18518:5259 408.18853:1408 409.19189:1444 129 735 1066 0 0 0 0 28670 24995 24983 26359 25961 27323 22777 0 41603 40974 39340 41762 40160 41860 216 718 230 0 0 40639.1197916667 41260.8932291667 388.217915852865 643.666463216146 25866.8303571429 0 0 1167.93083501073 954.330708316129 285.878593136806 475.10037744331 1884.78782841804 238 2.992 407.31631 w/o MS2:AAHFA 17:2/8:0;O [M-H]- 0.042 False 6.98 407.31671 C25H44O4 FAHFA DOSJRXBRGMWIGD-UHFFFAOYSA-N O=C(OC(C(=O)O)CCCCCC)CCCCCCCC=CCC=CCCCC 530 True True False False False null null 99.9 99.9 null null null 63.91 B. room temp 2 407.31631:3208 408.31966:904 409.32302:789 638 984 807 0 0 0 0 3936 2512 3302 3163 3398 3820 4087 0 15907 24383 10891 15576 14953 13293 979 3698 3109 0 0 17060.0725911458 14607.4931640625 2595.58658854167 809.249267578125 3459.69534737723 0 0 6819.53389821768 1179.82073066372 1430.28714827644 172.973275591323 542.523131724366 239 3.232 408.33533 Unknown [M+FA-H]- adduct linked to 255_[M+Hac-H]- 0.875 True null null null null null null 999 False False False False False null null null null null null null 684.65 P. cold 1 408.33524:42223 409.33859:11839 410.34195:1514 44.998:12547 45.02337:37 45.04134:29 45.05596:9 45.08807:20 45.19397:12 45.22745:15 45.27626:13 45.31172:15 45.76666:11 46.00236:56 302.30417:13 408.32199:30 338635 345322 353395 0 0 247060 380121 273768 223571 220386 222151 218481 214983 206038 0 197637 198018 212734 220926 234485 154937 374362 328559 374529 0 313590.640625 202796.703125 203449.447916667 359149.791666667 345783.958333333 225625.4375 0 94088.7110619407 8608.34519793874 42556.1207110071 26492.3988309975 7390.75393084773 22020.7657282406 240 7.661 409.40479 w/o MS2:FA 27:0 [M-H]- ion correlated with 549; ion correlated with 822 0.25 False 10.25 409.40509 C27H54O2 FA VXZBFBRLRNDJCS-UHFFFAOYSA-N O=C(O)CCCCCCCCCCCCCCCCCCCCCCCCCC 530 True True False False False null null 100 100 null null null 89.98 P. room temp 1 409.40479:5471 410.40814:1778 411.4115:306 37977 38214 42272 809 2438 3098 4976 8870 15639 8975 8425 7940 14009 7987 1550 9590 10831 5277 7191 10105 12561 44571 32868 37824 1599.0278523763 4037.45324707031 8566.20768229167 9952.31087239583 38421.1848958333 39487.5533854167 10263.4729352679 815.51221821884 1327.94083816312 2915.04162149607 2688.38927618385 5874.20691364838 2414.48389694817 3175.15217134051 242 2.247 411.27466 Unknown [M-H]- similar chromatogram in higher mz_414; similar chromatogram in higher mz_1227 0.542 False null null null null null null 999 False False False False False null null null null null null null 95.99 B. room temp 2 411.27466:6729 412.27801:1475 413.28137:228 11233 11380 11012 0 0 0 469 40195 38244 37300 34985 33845 35556 37246 0 67258 68943 65001 55120 61040 59484 12353 13661 12448 0 234.42936706543 67067.3033854167 58547.8984375 12820.8798828125 11208.4811197917 36767.3498883929 0 331.533190322471 1977.83041609253 3068.49205875597 729.448384937624 185.496029542278 2145.94237061222 243 3.352 411.34711 w/o MS2:AAHFA 17:0/8:0;O [M-H]- 0.083 False 7.94 411.34799 C25H48O4 FAHFA CMJHLYUVUWEFBI-UHFFFAOYSA-N O=C(OC(C(=O)O)CCCCCC)CCCCCCCCCCCCCCCC 530 True True False False False null null 99.6 99.9 null null null 107.21 B. cold 1 411.34711:6924 412.35046:1810 413.35382:360 39 0 0 0 0 0 8 24803 22697 20407 20426 19331 21210 21284 0 62789 53084 27049 117213 76585 63338 0 0 0 0 4.10043716430664 47640.4928385417 85711.9973958333 0 12.9938850402832 21450.9905133929 0 5.79889384942113 18481.2257372568 28073.530734191 0 22.5060690774797 1803.12922343232 244 2.859 411.34744 w/o MS2:AAHFA 17:0/8:0;O [M-H]- 0.208 False 7.94 411.34799 C25H48O4 FAHFA CMJHLYUVUWEFBI-UHFFFAOYSA-N O=C(OC(C(=O)O)CCCCCC)CCCCCCCCCCCCCCCC 530 True True False False False null null 99.8 99.9 null null null 104.15 B. cold 1 411.34744:8264 412.35079:2548 413.35415:390 0 0 0 0 0 0 0 21028 21849 21451 18429 18189 19134 21073 0 37960 35823 28396 83051 58593 55398 0 0 0 0 0 34059.716796875 65680.703125 0 0 20164.5242745536 0 0 5020.09241791304 15127.4468059935 0 0 1529.68951704157 246 5.301 411.38486 FA 26:0;O [M-H]- similar chromatogram in higher mz_705 0.542 True 8.39 411.3844 C26H52O3 OxFA UTAVPUZURYSXRI-UHFFFAOYSA-N O=C(O)CCCCCCCC(O)CCCCCCCCCCCCCCCCC 410 True True True False False null null 100 100 73.2 75 100 390.98 P. room temp 2 411.38528:47057 412.38863:14951 413.39199:1749 59.01371:1711 59.38156:22 295.19391:7 365.37756:51 393.37122:22 408.86789:5 408.90732:19 409.01837:8 409.63434:15 411.16745:27 411.27032:57 411.31088:296 411.38501:24050 411.51151:97 411.54764:51 411.58063:49 411.61597:56 411.66873:38 411.71036:53 411.73743:50 411.77649:82 411.86288:34 324987 346179 406665 711 0 3428 304 132450 113087 105608 109332 116084 119871 114489 276 349 0 0 201 4252 0 426517 381278 386174 329.024017333984 1865.76667785645 116.38671875 1484.4697265625 397989.583333333 359276.958333333 115845.808035714 358.545030214403 2209.01563247715 201.587710201229 2398.89510489872 24826.8343635858 42385.1533620183 8646.99626969008 247 2.517 413.24628 Unknown [M-H]- 0.125 True null null null null null null 999 False False False False False null null null null null null null 236.84 B. room temp 3 413.24628:18476 414.24963:4487 415.25299:6152 34.96913:466 59.01375:3717 59.04957:12 59.1026:16 59.22752:11 59.23816:8 59.40849:8 59.42184:8 351.2392:41 413.3233:20 643 24 0 0 0 0 0 49229 39709 43644 44053 43568 45011 40510 0 156790 204460 154065 100935 122171 109641 1710 3761 2526 0 0 171771.619791667 110915.799479167 2665.36743164063 222.352979024251 43674.7611607143 0 0 28341.6908261115 10674.9065659943 1032.60357323838 364.742752705311 3123.48333773359 248 1.612 413.29047 Unknown [M-H]- 0.167 True null null null null null null 999 False False False False False null null null null null null null 91.37 P. room temp 1 413.29047:6298 414.29382:1896 415.29718:433 115.07858:19 149.05659:35 176.92928:71 178.1022:31 211.13345:60 221.17209:26 239.16875:28 241.17247:74 243.13428:39 253.13266:53 255.15997:119 265.22043:24 265.40286:6 283.23062:53 284.36865:5 292.16837:11 319.26437:66 321.24591:227 321.79504:11 325.20248:361 335.26004:35 339.26706:8 345.21539:40 345.24655:131 348.97849:7 349.23492:25 353.23526:26 363.14923:36 363.22098:91 363.2536:368 395.29022:18 413.04074:36 413.20932:21 413.24707:98 413.29007:1784 413.37091:7 413.67996:10 44 127 28715 0 0 0 0 61635 61681 61670 52821 51947 51545 51575 0 48120 62130 39479 31185 94416 92654 46851 22030 29912 0 0 49909.4348958333 72751.8079427083 32930.8990885417 9628.5655186971 56124.8911830357 0 0 11431.2237095994 36008.8684578924 12682.7307597289 16529.4935440071 5196.57218319603 249 1.678 413.29068 Unknown [M-H]- 0.583 True null null null null null null 999 False False False False False null null null null null null null 138.95 P. cold 1 413.29068:4426 414.29403:1128 415.29739:216 59.0014:40 107.06035:7 167.13881:106 190.9137:13 201.14125:60 239.16324:47 241.1795:65 255.15952:67 283.21799:28 292.16473:10 301.24585:33 309.2374:31 317.22638:15 319.21814:12 319.25851:26 321.24228:84 325.16901:30 325.1998:182 331.02759:26 333.23795:29 339.24457:10 345.24084:147 363.25424:340 381.2724:11 411.18137:39 413.2431:82 413.29114:806 413.36264:8 32344 32692 28715 0 0 0 0 61635 61681 61670 52821 51947 51545 51575 0 48120 62130 39479 31185 94416 92654 46851 22030 29912 0 0 49909.43359375 72751.8079427083 32930.8971354167 31250.3046875 56124.8911830357 0 0 11431.2216216245 36008.8684578924 12682.7288485411 2202.3923816624 5196.57218319603 250 2.609 413.29074 Unknown [M-H]- 0.792 True null null null null null null 999 False False False False False null null null null null null null 207.92 QC-2 413.29044:10987 414.29379:3185 415.29715:362 34.96912:64 59.01417:3275 59.04749:11 59.06289:21 59.08414:9 59.32875:12 157.08981:19 262.24182:56 279.22827:47 334.13669:8 413.37219:15 30165 30751 29456 48 63 279 1034 100038 92519 91159 82823 82495 83647 81359 0 183521 183507 168646 132832 128578 122822 37834 38227 33538 36.9624977111816 656.341278076172 178557.989583333 128077.380208333 36533.16015625 30123.9518229167 87719.8515625 32.9423151845155 533.971832551489 8584.1458757608 5023.48638062055 2601.34474082778 648.678498002753 7011.11650142381 251 2.532 415.24377 Unknown [M-H]- similar chromatogram in higher mz_256 0.25 False null null null null null null 999 False False False False False null null null null null null null 95.21 B. room temp 2 415.24377:6609 416.24712:1828 417.25048:391 0 0 0 0 0 0 0 14353 13565 11513 13006 11806 12309 12118 0 46103 55799 43343 29194 34119 29533 0 898 0 0 0 48415.1940104167 30948.8346354167 299.318400065104 0 12666.8271484375 0 0 6541.88804113895 2750.43308294774 518.434676552988 0 1022.00276130815 254 3.237 421.34378 Unknown [M-H]- 0.875 True null null null null null null 999 False False False False False null null null null null null null 29.9 IS 2 421.34378:7182 422.34713:210995 423.35049:49682 59.01378:3139 59.33038:18 89.02336:23 114.32537:22 283.26605:98 325.22189:50 421.22104:22 41538 41814 41216 0 0 31960 53237 35840 33931 34702 30152 30678 32253 29039 0 36674 37519 37709 36233 41922 26874 42939 36758 49507 0 42598.4677734375 37300.7135416667 35009.896484375 43067.9479166667 41522.3138020833 32370.6752232143 0 15045.1123643741 551.076670403866 7597.9781990956 6375.33358827767 299.429109525214 2543.06571595391 255 3.23 422.35095 Unknown [M+Hac-H]- adduct linked to 239_[M+FA-H]- 0.875 True null null null null null null 999 False False False False False null null null null null null null 2012.83 P. cold 1 422.35095:117559 423.3543:38344 424.35766:5031 47.48703:48 58.79487:17 58.95659:45 58.9841:27 59.01406:49789 59.12732:18 59.1448:79 59.1622:48 59.18011:45 59.21795:36 59.23155:35 59.24463:27 59.25413:28 59.27187:21 59.28066:30 59.29873:14 59.31282:53 59.35279:13 59.36815:66 59.38986:11 59.39785:31 59.42716:32 59.45381:20 59.47777:18 59.50711:19 59.51654:22 59.54975:10 59.57375:7 59.59774:7 59.61109:6 59.63079:33 59.64763:10 59.69167:18 59.7045:5 59.72052:11 59.76326:22 59.80068:25 60.01769:40 60.03087:7 60.24505:22 60.78804:11 60.8608:12 61.98929:43 89.02357:47 203.94041:30 255.23282:39 314.31097:11 333.01233:18 422.20102:24 422.35022:132 914181 905709 920796 0 0 682189 1116269 752962 681820 686078 663741 655409 670435 661734 0 742784 733320 788159 751959 848323 536667 950882 815647 1015344 0 899229.15625 754754.5625 712316.458333333 927290.770833333 913562 681739.705357143 0 306941.220936673 29313.6891154729 159565.049660719 101917.104097528 7562.70294252491 33258.2455900999 256 2.532 423.27518 Unknown [M+FA-H]- adduct linked to 264_[M+Hac-H]- 0.542 True null null null null null null 999 True False False False True null null null null null null null 293.82 B. room temp 1 423.27518:18632 424.27853:6751 425.28189:914 44.97438:25 44.99805:7276 45.03503:18 45.04414:36 45.09749:21 45.11436:16 45.12071:13 45.16017:9 45.16809:8 45.19734:9 45.23912:8 45.25073:21 45.2717:13 45.2948:15 45.31124:6 45.33683:15 45.41723:6 46.02815:22 155.00017:32 390.83206:19 423.2525:41 423.30106:19 9179 9165 8706 0 0 0 0 119522 105650 101597 92320 89447 91005 91182 0 140036 130310 140814 125497 96576 97614 15908 15584 12617 0 0 137053.200520833 106562.239583333 14702.7503255208 9016.828125 98674.9084821429 0 0 5852.49357466749 16405.9114699752 1813.93776860533 269.049170614275 11047.5762647475 258 3.478 423.34766 w/o MS2:AAHFA 18:1/8:0;O [M-H]- 0.042 False 7.88 423.34799 C26H48O4 FAHFA GCGVEQKAIRJOMW-UHFFFAOYSA-N O=C(OC(C(=O)O)CCCCCC)CCCCCCCC=CCCCCCCCC 530 True True False False False null null 99.9 99.9 null null null 84.93 B. cold 1 423.34766:4246 424.35101:1381 425.35437:350 278 751 92 0 0 79 9 8521 9812 8137 8038 9273 9064 8993 0 22105 19812 18500 30653 26185 23811 94 62 47 0 44.4490599632263 20139.2565104167 26883.14453125 67.6657079060872 373.848691304525 8834.01081194196 0 49.5532009089846 1824.63660591318 3473.71450882633 24.1266086909524 339.952497659508 638.10547247467 259 7.586 423.42065 w/o MS2:FA 28:0 [M-H]- 0.333 False 10.8 423.42081 C28H56O2 FA UTOPWMOLSKOLTQ-UHFFFAOYSA-N O=C(O)CCCCCCCCCCCCCCCCCCCCCCCCCCC 530 True True False False False null null 100 99.9 null null null 110.08 QC-1 423.42065:7019 424.424:2201 425.42736:531 0 0 0 0 0 0 0 85096 80087 76131 79229 77568 75877 78273 0 377 1818 77172 0 0 3273 0 0 0 0 0 26455.8488260905 1090.94352213542 0 0 78894.5758928571 0 0 43927.54320135 1889.56960852668 0 0 3132.81194248655 261 5.707 425.39972 w/o MS2:FA 27:0;(2OH) [M-H]- 0.25 False 8.97 425.39999 C27H54O3 OxFA ZFPIEBUFHZZBPX-UHFFFAOYSA-N O=C(O)C(O)CCCCCCCCCCCCCCCCCCCCCCCCC 530 True True False False False null null 100 99.9 null null null 89.78 P. room temp 3 425.39972:5531 426.40307:1742 427.40643:546 34694 35380 38771 0 0 0 0 13717 11493 11558 11880 12274 12380 11699 0 0 0 0 0 468 0 39731 37094 42696 0 0 0 156.109944661458 39840.4817708333 36282.01171875 12143.0103236607 0 0 0 270.390355720412 2802.71273046502 2183.05878482922 772.607434802198 264 2.529 437.29117 Unknown [M+Hac-H]- adduct linked to 256_[M+FA-H]- 0.625 True null null null null null null 999 False False False False False null null null null null null null 922.25 QC-1 437.29105:43202 438.2944:12040 439.29776:1857 58.85667:7 58.96948:18 59.01396:21282 59.08274:15 59.10238:44 59.11492:42 59.13256:15 59.15036:26 59.16634:23 59.19533:16 59.22731:14 59.24376:17 59.26203:20 59.27532:9 59.30047:6 59.3153:17 59.33699:22 59.36305:11 59.37447:21 59.39247:30 59.44305:29 59.52833:34 59.56833:7 59.71284:12 60.01722:110 178.23302:41 185.11623:35 234.34721:31 255.23781:9 303.23108:113 437.1759:10 437.22012:99 437.29272:64 437.31439:19 437.36505:36 437.39883:68 13592 13951 13732 0 0 0 0 332190 312980 294383 303852 308174 304268 301458 0 584387 580621 536328 480793 470574 450855 23461 21975 18175 0 0 567112.270833333 467407.614583333 21203.5279947917 13758.3854166667 308186.504464286 0 0 26726.2142662444 15218.2632583011 2726.30522673119 181.181038791195 12035.3892335237 265 2.841 439.30582 w/o MS2:RIKEN N-VS1 ID-1746 from Mouse_Macrophage_WT_N_F1AA [M-H]- 0.167 False 7.32 439.30219 Unknown 530 True True False False False null null 93.6 99.9 null null null 90.67 B. room temp 2 439.30582:5337 440.30917:1187 441.31253:0 2018 1188 1065 0 0 0 0 20864 17915 16918 15311 16972 16834 17425 0 48407 52134 41374 29726 36563 30960 2483 3295 2208 0 0 47304.95703125 32416.3899739583 2662.20548502604 1423.8389078776 17462.6463448661 0 0 5463.68449487354 3643.74971865427 565.253625214065 518.511066445587 1700.08242104612 266 6.098 439.41498 w/o MS2:FA 28:0;(2OH) [M-H]- similar chromatogram in higher mz_1195 0.25 False 9.41 439.41571 C28H56O3 OxFA FYDAGLSVOSNEBV-UHFFFAOYSA-N O=C(O)C(O)CCCCCCCCCCCCCCCCCCCCCCCCCC 530 True True False False False null null 99.7 99.9 null null null 94.88 P. room temp 3 439.41498:5367 440.41833:1487 441.42169:418 34738 36100 40675 246 0 0 0 15975 15393 13991 12891 12997 12880 13244 0 0 0 0 273 515 0 37184 36375 41991 82.0779113769531 0 0 262.495391845703 38516.65625 37171.1041666667 13910.0636160714 142.163112684018 0 0 257.549126551664 3035.68739854324 3109.99769657046 1281.12942405975 268 4.18 445.35233 Unknown [M-H]- 0.125 False null null null null null null 999 False False False False False null null null null null null null 70.55 B. cold 2 445.35233:3793 446.35568:1404 447.35904:294 306 256 574 0 0 0 0 10861 9042 9819 9336 8406 9044 9151 0 17248 17231 12525 25376 25638 21401 230 0 279 0 0 15668.0638020833 24138.2819010417 169.879974365234 378.278035481771 9379.81222098214 0 0 2722.29214952904 2373.78323347449 149.171829982101 171.080810673849 776.394552247547 269 5.586 445.3692 Unknown [M-H]- 0.792 True null null null null null null 999 True False False False True null null null null null null null 1135.04 P. room temp 3 445.36926:33778 446.37261:15138 447.37597:1944 34.42184:25 55.42963:14 97.56518:60 123.04717:20 144.18248:26 162.06938:103 163.07719:79 171.70647:10 176.08087:47 177.06274:29 177.09171:787 177.27727:5 316.35144:26 411.92529:29 412.34317:29 427.35815:84 428.36349:13 430.3468:48 442.68445:16 442.84442:17 443.56458:12 444.9921:17 445.1525:29 445.21075:47 445.26495:113 445.3685:19269 445.45398:138 445.50189:48 445.53229:59 445.59198:74 445.62613:27 445.6568:51 445.69214:28 445.75403:57 445.7869:51 445.81567:13 445.83194:35 161678 160872 225707 0 0 0 0 532599 519707 498797 472465 476975 478044 479027 0 720039 775341 680477 603056 517677 506615 244195 498957 284649 0 0 725285.6875 542449.5 342600.697916667 182752.3125 493944.888392857 0 0 47649.0610263351 52777.8430556834 136911.292969458 37202.2526506686 23826.1577479643 270 7.484 449.3428 Unknown [M-H]- 0.542 True null null null null null null 999 False False False False False null null null null null null null 55.14 QC-5 449.34125:9196 450.3446:3078 451.34796:593 44.9976:149 49.76004:21 87.48805:99 92.13402:7 171.04849:14 172.04982:9 217.00159:30 227.0136:8 238.09567:100 283.2652:26 351.2504:31 365.0928:5 366.96942:8 366.9913:28 434.31274:80 435.41431:44 436.00177:6 449.23511:66 449.34149:5369 449.4364:46 449.4628:19 449.51431:23 449.54391:14 449.61349:8 449.68515:17 449.74194:25 10796 12397 11930 0 0 0 0 84762 80757 77616 71546 72128 67334 72387 0 255973 254488 144137 265765 252836 215537 13220 13192 13967 0 0 218199.666666667 244712.640625 13459.6949869792 11707.7861328125 75218.3683035714 0 0 64144.1635516232 26080.7079381565 439.453807613764 823.337400289355 6065.38750317139 271 6.606 449.36047 w/o MS2:RIKEN N-VS1 ID-1815 from Mouse_Feces_WT_N_Ctr [M-H]- 0.125 False 8.54 449.36139 Unknown 530 True True False False False null null 99.6 100 null null null 7.53 B. room temp 2 449.36047:3237 450.36382:1012 451.36718:0 6942 7920 8900 0 0 0 0 10678 9693 9883 9384 9461 9771 10117 0 23225 25185 14781 23177 24691 24105 9310 6624 6082 0 0 21063.6389973958 23990.9720052083 7338.31819661458 7920.94856770833 9855.28097098214 0 0 5528.74624375959 763.110118654844 1728.65948128357 978.752318844823 439.016059279688 273 8.204 451.45178 w/o MS2:FA 30:0 [M-H]- 0.333 False 11.58 451.45209 C30H60O2 FA VHOCUJPBKOZGJD-UHFFFAOYSA-N O=C(O)CCCCCCCCCCCCCCCCCCCCCCCCCCCCC 530 True True False False False null null 100 99.9 null null null 76.73 QC-6 451.45178:5911 452.45513:1608 453.45849:218 0 0 0 0 0 0 0 52332 49469 50436 50124 50572 53475 50344 0 246 868 41313 0 0 2043 0 0 0 0 0 14142.3381703695 680.83837890625 0 0 50964.7332589286 0 0 23532.3170693421 1179.24666400846 0 0 1410.36935971335 275 2.016 461.27582 Unknown [M-H]- ion correlated with 416 0.5 False null null null null null null 999 False False False False False null null null null null null null 39.22 QC-1 461.27582:3896 462.27917:1440 463.28253:711 2608 2438 2559 0 0 0 0 31007 28445 28633 29598 27611 28055 28344 0 27834 26181 30084 31119 25660 28107 5547 5920 4548 0 0 28033.1393229167 28295.3463541667 5338.58740234375 2534.97257486979 28813.4109933036 0 0 1958.98377478623 2734.18489714473 709.511057157295 87.8325729452944 1142.97358263907 276 5.087 461.36334 w/o MS2:AAHFA 21:3/8:0;O [M-H]- 0.542 False 8.05 461.36359 C29H50O4 FAHFA OWZAGXJLLKTDCR-UHFFFAOYSA-N O=C(OC(C(=O)O)CCCCCC)CCCCCCCC=CCC=CCC=CCCCCC 530 True True False False False null null 100 100 null null null 88.8 B. room temp 1 461.36334:6006 462.36669:1974 463.37005:556 23443 12888 15936 0 0 0 0 42744 45714 43042 40932 41360 39711 41319 0 58528 55397 55052 53602 54774 50375 22866 17028 15327 0 0 56325.8893229167 52917.21875 18406.9996744792 17422.388671875 42117.3800223214 0 0 1915.09217075747 2278.15853504003 3954.35638930683 5432.2932147955 1940.31288566759 277 5.55 461.36386 w/o MS2:AAHFA 21:3/8:0;O [M-H]- 0.125 False 8.05 461.36359 C29H50O4 FAHFA OWZAGXJLLKTDCR-UHFFFAOYSA-N O=C(OC(C(=O)O)CCCCCC)CCCCCCCC=CCC=CCC=CCCCCC 530 True True False False False null null 100 100 null null null 85.04 B. cold 2 461.36386:5231 462.36721:2695 463.37057:585 31053 29246 34647 0 0 259 0 27375 25259 26600 23945 24550 23964 21861 0 28994 31543 12360 20050 32840 33137 39518 29647 38204 0 129.452346801758 24298.6975911458 28675.9309895833 35789.7701822917 31648.7708333333 24793.3752790179 0 183.073264528071 10417.8576386517 7471.41506060484 5359.9313110791 2749.48450151446 1835.40010466145 279 4.956 465.33606 Unknown [M-H]- ion correlated with 1288 0.083 False null null null null null null 999 False False False False False null null null null null null null 35.18 P. room temp 3 465.33606:3127 466.33941:1085 467.34277:0 21101 23394 22061 570 478 265 323 9464 11430 8851 9093 10023 8999 8329 533 964 651 1489 1360 229 749 23223 24567 24226 526.936330159505 294.3115234375 1034.66347249349 779.391810099284 24005.302734375 22185.494140625 9455.57659040179 46.6845286792794 40.7735275068201 423.383983686148 565.722362368704 698.579661049061 1151.24150900593 1016.19223120367 280 8.445 465.46686 w/o MS2:FA 31:0 [M-H]- 0.042 False 12.68 465.46771 C31H62O2 FA ONLMUMPTRGEPCH-UHFFFAOYSA-N O=C(O)CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC 530 True True False False False null null 99.6 99.9 null null null 67 B. room temp 3 465.46686:4044 466.47021:1206 467.47357:294 0 0 0 0 0 0 0 29130 26779 26038 24214 25568 27234 26970 0 0 1000 33349 0 0 607 0 0 0 0 0 11449.9225056966 202.271138509115 0 0 26561.7553013393 0 0 18972.0371758911 350.343888802588 0 0 1529.25051291828 281 5.573 467.35318 Unknown [M-H]- ion correlated with 640; ion correlated with 456; similar chromatogram in higher mz_776 0.25 False null null null null null null 999 False False False False False null null null null null null null 76.83 B. cold 1 467.35318:4732 468.35653:1718 469.35989:380 0 0 0 0 0 0 0 17866 15893 14196 15062 14924 14923 15647 0 28618 32634 31138 34961 31784 30024 0 243 0 0 0 30796.5208333333 32256.275390625 80.9360809326172 0 15501.5309709821 0 0 2029.75668366687 2502.29118909578 140.1854043408 0 1178.33014242882 282 1.154 471.17545 Unknown [M-H]- 0.042 False null null null null null null 999 False False False False False null null null null null null null 60.75 QC-1 471.17545:3038 472.1788:822 473.18216:422 0 0 320 0 0 0 0 22413 19666 18610 19294 19072 21225 20215 0 15259 13700 19299 16942 15553 17532 0 0 0 0 0 16086.1197916667 16675.7926432292 0 106.621693929036 20070.7240513393 0 0 2889.91333044455 1015.82121405696 0 184.674191074149 1337.74347184947 283 1.218 471.23904 w/o MS2:ST 24:1;O4;S [2M+Hac-H]- adduct linked to 58_[M+Hac-H]- 0.25 True 1.78 471.24219 C24H40O7S BASulfate ARGCPGOJOKCMSW-UHFFFAOYSA-N C[C@H](CCC(O)=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@@H](CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C)OS(O)(=O)=O 530 True True False False False null null 71.5 100 null null null 347.08 P. cold 3 471.23904:22913 472.24239:7167 473.24575:2962 43.01894:36 44.99726:48 57.03033:16 67.88025:23 69.023:74 69.03432:251 81.03504:82 83.05091:308 91.033:45 91.05618:8 95.05134:31 109.06678:9 125.05868:81 127.07375:19 143.04834:51 163.11327:365 167.08292:38 187.0768:23 189.0466:61 189.09178:12334 189.1665:50 189.21906:39 189.29018:43 189.30467:49 189.32845:26 189.34589:12 189.37053:27 189.45328:45 189.50841:22 189.54247:39 189.64677:39 189.70354:7 189.71918:18 189.75:9 189.78992:18 189.85255:5 189.92323:16 189.96609:24 207.0703:78 207.10329:831 207.13486:15 207.16969:10 208.10577:45 209.11963:25 242.18163:62 243.10205:44 261.1517:52 281.1088:28 281.13608:90 335.2211:18 337.18213:27 347.15057:11 361.1832:18 373.2139:33 379.14505:16 379.18896:203 387.20682:50 397.24008:40 409.24347:16 427.16266:46 427.2179:29 429.25928:27 453.22888:196 453.60297:10 454.2457:19 471.13956:36 471.23727:887 471.39349:7 135403 139532 161339 0 0 0 0 14698 12090 11579 12670 12406 13632 13792 0 0 0 0 0 0 0 103604 81444 117743 0 0 0 0 100930.4921875 145424.682291667 12980.900390625 0 0 0 0 18296.9243195138 13935.598885251 1096.86509682527 287 6.875 475.37982 w/o MS2:FAHFA 8:0/22:3;O [M-H]- 0.25 True 8 475.3793 C30H52O4 FAHFA JRLRWSIXRWZVJD-UHFFFAOYSA-N O=C(O)CCCCCCCC(OC(=O)CCCCCCC)C=CCC=CCC=CCCCCC 530 True True False False False null null 65.7 100 null null null 348.03 P. room temp 3 475.37982:24165 476.38317:10325 477.38653:1621 61.98736:45 68.35659:35 143.10994:15 186.45834:36 369.23969:44 415.26349:40 431.38818:166 472.46091:20 472.57367:12 474.39523:32 475.18091:50 475.20306:35 475.37988:17418 475.47263:86 475.51797:45 475.53802:42 475.6358:77 475.67355:45 475.77875:49 475.82999:25 475.84689:29 84811 108771 153635 0 0 0 0 21176 20846 19842 20157 19473 17683 17470 0 0 0 0 0 0 0 124559 92484 169404 0 0 0 0 128815.770833333 115739.161458333 19520.8125 0 0 0 0 38636.400474428 34936.9575076208 1448.27581889781 288 8.701 479.48309 w/o MS2:FA 32:0 [M-H]- 0.333 False 13.13 479.4834 C32H64O2 FA ICAIHSUWWZJGHD-UHFFFAOYSA-N O=C(O)CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC 530 True True False False False null null 100 99.9 null null null 147.42 QC-1 479.48309:8757 480.48644:3274 481.4898:685 0 0 0 0 0 0 0 87170 83919 76123 74123 69070 73587 72852 0 1554 3688 74156 0 570 2844 0 0 0 0 0 26466.0931803385 1138.11142985026 0 0 76692.1116071429 0 0 41314.3089600376 1504.8602686743 0 0 6473.24772058487 289 1.513 481.25577 w/o MS2:LPG 16:1 [M-H]- similar chromatogram in higher mz_578 0.25 False 5.26 481.2572 C22H43O9P LPG JSKJPUCKVIJTKI-UHFFFAOYSA-N O=C(OCC(O)COP(=O)(O)OCC(O)CO)CCCCCCCC=CCCCCCC 530 True True False False False null null 99 99.9 null null null 71.02 B. room temp 1 481.25577:4346 482.25912:1186 483.26248:0 2801 1874 1961 0 0 0 0 16431 15910 14341 15986 14639 15488 14488 0 37220 29010 29115 29332 25703 31470 600 3383 3281 0 0 31781.625 28835.1354166667 2421.46010335286 2211.89571126302 15326.2685546875 0 0 4709.87844511654 2915.64310723398 1577.97114461148 511.892272633581 833.604740367778 290 1.595 483.27258 LPG 16:0 [M-H]- 0.792 True 5.79 483.2728 C22H45O9P LPG BVJSKAUUFXBDOB-UHFFFAOYSA-N O=C(OCC(O)COP(=O)(O)OCC(O)CO)CCCCCCCCCCCCCCC 410 True True True False False null null 100 99.9 94.5 94.2 100 179.42 P. room temp 2 483.27243:8548 484.27578:2030 485.27914:699 59.01466:41 152.99661:252 158.08099:14 158.97823:27 227.79527:12 245.0444:158 245.57538:30 255.17604:56 255.23253:3614 255.30322:13 255.33615:14 255.41983:5 255.56258:20 255.60677:23 255.76698:19 255.78357:11 255.94386:17 256.09866:6 271.22882:60 345.22775:36 363.00388:29 403.18036:11 482.60019:22 483.10971:55 483.16226:28 483.27029:1049 483.41299:9 105063 108567 99515 0 0 0 0 61465 62863 61821 59192 56259 55106 58163 0 79916 62843 67086 57769 52517 66689 118678 67721 90890 0 0 69948.1002604167 58991.7604166667 92429.8854166667 104381.796875 59267.1668526786 0 0 8889.31690276465 7164.55695288523 25513.4094796626 4564.46891161824 2940.17194792108 291 2.329 484.33179 w/o MS2:Cer 15:3;3O/9:0;(2OH) [M-H]- similar chromatogram in higher mz_292 0.167 True 5.87 484.328 C24H43NO5 Cer_AP OFYOEZWWUHJMBC-UHFFFAOYSA-N O=C(NC(CO)C(O)C(O)C=CCCC=CCCC=CC)C(O)CCCCCCC 530 True True False False False null null 93.1 99.9 null null null 73.12 IS 2 484.33179:5029 485.33514:144171 486.3385:30440 78.95761:88 85.02972:15 140.01208:84 196.03802:284 197.03889:47 197.4012:19 197.75999:17 214.0508:80 286.2807:16 287.28571:2257 287.3399:34 287.45999:8 287.53336:30 287.58603:16 287.64264:10 287.67386:5 287.7149:23 287.93179:12 287.96698:20 288.29224:1431 288.3403:12 484.297:56 484.32996:669 24108 23810 25021 0 0 27569 40307 18225 18693 17205 16169 16980 17077 16569 0 22985 21868 22625 18111 21337 15347 26954 21756 26800 0 33938.150390625 22492.3697916667 18265.0126953125 25169.9798177083 24312.9016927083 17273.8659319196 0 9006.98530982518 570.279555787213 2998.17450760122 2957.37612230042 631.403965744447 891.22595683241 292 2.349 485.33884 LPE 18:1(d7) [M-H]- similar chromatogram in higher mz_745; similar chromatogram in higher mz_336 0.875 True 6.41 485.33783 C23H39D7NO7P LPE PYVRVRFVLRNJLY-CCLUNVSZNA-N [C@](COP(=O)(O)OCCN)([H])(O)COC(CCCCCCC/C=C\CCCCCC([2H])([2H])C([2H])([2H])C([2H])([2H])[2H])=O 430 True True True False False null null 86.4 99.9 70.1 47.2 100 1141.91 QC-4 485.33832:46137 486.34167:11624 487.34503:2070 78.95758:62 84.7143:28 106.22724:29 124.34073:41 140.01367:101 155.10046:22 196.03815:377 214.04428:101 223.14754:63 239.06052:9 265.16959:14 288.06573:17 288.24167:61 288.29166:3218 288.35739:8 288.40015:10 288.54471:14 288.74057:6 288.93439:9 289.02249:7 289.2963:29 303.23285:49 311.2153:25 417.28955:31 482.50934:16 482.80524:14 483.71692:10 484.37027:10 484.72821:11 484.94009:37 485.0174:32 485.16193:26 485.33795:23864 485.50735:33 485.54187:69 485.57608:29 485.6311:64 485.67484:30 485.7095:108 485.73981:54 485.77145:36 485.8053:38 533371 533449 599021 0 0 615533 927068 396906 389976 386311 406301 405353 395493 395840 0 477946 511260 472924 434175 526485 367343 612024 495579 602796 0 771300.4375 487376.53125 442667.645833333 570133.052083333 555280.208333333 396597.28125 0 220288.511076951 20835.3279211543 79910.407510789 64730.6102395362 37880.9275061721 7329.97426220381 293 1.164 487.15091 Unknown [M-H]- 0.542 True null null null null null null 999 False False False False False null null null null null null null 238.25 QC-2 487.1507:12070 488.15405:3830 489.15741:2020 59.01374:714 59.18248:5 74.80457:19 156.99039:647 247.16644:30 247.19897:48 260.08081:45 273.1904:21 289.48904:16 291.13556:66 291.19644:8204 291.30267:19 291.34396:10 291.36752:32 291.42468:52 291.49734:24 291.53271:18 291.56812:9 291.60941:22 291.69269:17 291.75104:23 291.81757:16 292.14771:41 292.19977:41 292.27658:14 292.76709:11 293.19885:45 329.15302:245 373.21619:7 389.12274:30 389.17166:216 390.18707:8 0 0 0 0 0 0 0 83406 85310 78912 81558 84261 81565 80494 0 73842 136167 108358 93675 54522 63608 378 261 0 0 0 106122.375 70601.6888020833 212.96391805013 0 82215.1473214286 0 0 31222.811993274 20491.8299686766 193.404878381921 0 2232.80350365408 294 2.181 487.29074 Unknown [M-H]- 0.292 False null null null null null null 999 False False False False False null null null null null null null 80.57 QC-1 487.29074:4608 488.29409:1704 489.29745:1252 13230 11965 13473 0 0 0 0 45335 37660 37525 37825 36686 38902 38290 0 31354 29336 33821 27916 27014 28674 16285 16001 15675 0 0 31503.5703125 27867.9674479167 15986.9612630208 12889.3092447917 38889.05078125 0 0 2246.19052134265 830.593075467749 305.567549637967 809.593972184084 2923.08638392257 296 2.651 489.30652 Unknown [M-H]- 0.625 False null null null null null null 999 False False False False False null null null null null null null 81.15 QC-1 489.30652:4748 490.30987:1606 491.31323:369 24441 24909 2062 0 0 0 0 52406 44952 47274 44091 45290 45878 47592 0 45559 43112 47270 43075 39901 42804 27032 31872 2511 0 0 45313.6341145833 41926.7421875 20471.6217447917 17137.3059895833 46783.2332589286 0 0 2089.93273943979 1759.56066037216 15741.4953628552 13057.454905151 2773.71250085657 297 2.557 489.30829 Unknown [M-H]- 0.167 False null null null null null null 999 False False False False False null null null null null null null 67.39 P. room temp 3 489.30829:3614 490.31164:1227 491.315:414 24441 24909 26544 0 0 0 0 52406 44952 47274 44091 45290 45878 47592 0 5573 4147 8240 43075 4765 3063 27032 31872 29402 0 0 5986.91455078125 16967.6389160156 29435.4212239583 25297.7486979167 46783.2332589286 0 0 2077.72331205524 22625.7222791127 2419.7470760289 1103.98445585671 2773.71250085657 298 7.182 489.39496 w/o MS2:FAHFA 5:0/26:3;O [M-H]- similar chromatogram in higher mz_1100 0.25 True 8.27 489.3949 C31H54O4 FAHFA PWNULLUCALASBT-UHFFFAOYSA-N O=C(O)CCCCCCC(OC(=O)CCCC)CCCC=CCC=CCC=CCCCCCCC 530 True True False False False null null 66 100 null null null 148.89 P. room temp 3 489.39496:11540 490.39831:4654 491.40167:1045 41.0035:22 122.03621:50 125.02393:32 283.11032:12 325.22644:30 405.37869:6 426.99857:13 445.40231:96 446.38538:20 486.83127:12 487.11447:10 489.24347:10 489.27594:35 489.30579:55 489.3945:6638 489.49573:31 489.62756:33 489.6792:20 489.78497:20 489.82452:27 489.8551:12 31255 40493 54344 0 0 0 0 10099 9211 8843 9521 7804 7666 7623 0 0 0 0 0 0 0 49289 33250 72067 0 0 0 0 51535.3216145833 42030.6334635417 8680.93352399554 0 0 0 0 19505.9557113169 11620.7356743965 994.97645092851 299 3.171 491.32233 w/o MS2:RIKEN N-VS1 ID-2125 from Mouse_Feces_WT_N_Ctr [M-H]- 0.417 False 7.18 491.32101 Unknown 530 True True False False False null null 99.1 99.9 null null null 34.62 QC-1 491.32233:3734 492.32568:1284 493.32904:405 9256 10262 10050 702 235 594 1729 35413 34394 32151 31651 29696 32113 30202 0 32787 31193 33447 31927 30232 31759 6978 10506 8090 312.478627522786 1161.30230712891 32475.634765625 31305.87109375 8524.73551432292 9855.84765625 32231.4168526786 357.56909920758 802.233963492338 1158.5222676063 934.024026375865 1803.55473509927 530.541381664594 2069.60810592912 306 2.017 503.41025 w/o MS2:AAHFA 24:3/8:0;O [2M-H]- adduct linked to 35_[M-H]- 0.375 True 8.72 503.41061 C32H56O4 FAHFA JHCLREJXJLYYDC-UHFFFAOYSA-N O=C(OC(C(=O)O)CCCCCC)CCCCCCCCC=CCC=CCC=CCCCCCCC 530 True True False False False null null 99.9 99.8 null null null 137.89 QC-1 503.41025:10242 504.4136:3577 505.41696:720 61.9872:33 183.05786:48 249.72227:14 250.97702:10 251.05914:24 251.20114:20848 251.28273:86 251.30336:74 251.34409:61 251.38766:63 251.43063:27 251.45921:18 251.50824:42 251.57407:26 251.60147:22 251.65076:29 251.69466:31 251.73129:22 251.78751:18 251.81934:24 251.8868:22 251.91393:13 251.95985:14 251.99077:15 252.00993:11 252.06207:11 252.09373:14 252.20555:149 252.25885:10 252.35155:7 252.47275:11 291.19489:11 301.21582:87 302.21759:8 306.25049:10 403.2265:26 431.4502:12 503.21146:46 0 0 0 0 0 0 0 66382 21217 19284 16213 17761 18326 17630 0 53946 61440 45034 50447 43333 42815 0 0 0 0 0 53473.3893229167 45531.5364583333 0 0 25259.115234375 0 0 8213.31506815816 4264.4687964321 0 0 18200.0994434951 307 7.478 503.41092 w/o MS2:AAHFA 24:3/8:0;O [M-H]- 0.542 True 8.72 503.41061 C32H56O4 FAHFA JHCLREJXJLYYDC-UHFFFAOYSA-N O=C(OC(C(=O)O)CCCCCC)CCCCCCCCC=CCC=CCC=CCCCCCCC 530 True True False False False null null 100 100 null null null 254.73 P. room temp 3 503.41092:33466 504.41427:13316 505.41763:2721 41.00396:43 81.03396:80 101.02557:13 107.0518:46 125.0241:57 147.94093:21 419.38583:50 459.36038:8 459.42047:277 485.39926:24 500.83044:14 502.76443:15 503.22186:8 503.27505:109 503.40973:23724 503.57092:34 503.6474:73 503.74872:52 503.79996:11 503.88162:26 111068 143232 198780 0 0 0 0 33309 30407 30859 26986 25531 26638 24922 0 0 0 0 0 0 0 165329 115643 237715 0 0 0 0 172895.807291667 151026.6953125 28378.8510044643 0 0 0 0 61386.7029262315 44372.4656807399 3151.65918551728 322 9.154 507.51416 Unknown [M-H]- 0.333 True null null null null null null 999 True False False True True null null null null null null null 124.29 QC-1 507.5141:9930 508.51745:3423 509.52081:728 44.99791:77 58.99864:26 59.01323:355 59.07623:18 60.01748:69 61.0201:64 175.10136:20 223.04106:23 251.19786:88 397.34552:29 419.31586:14 426.27328:29 447.28558:18 447.30856:17 447.3598:177 448.35422:18 507.08463:30 507.16245:10 507.28696:25 507.31808:24 507.35437:24 507.37268:30 507.42041:119 507.51318:5988 507.64526:58 507.71005:25 507.76181:25 507.81631:16 507.87082:22 507.90198:15 507.93707:14 507.97415:14 0 0 0 0 0 0 0 86405 81106 82285 66287 67394 65141 64721 0 3003 5017 89363 0 615 5420 0 0 0 0 0 32460.8898111979 2011.75474039714 0 0 73334.1752232143 0 0 49288.8726505718 2967.87637530353 0 0 9466.06329921915 323 3.008 511.47424 Unknown [2M-H]- adduct linked to 56_[M-H]- 0.792 True null null null null null null 999 True False False False True null null null null null null null 684.75 QC-1 511.47424:80684 512.47759:35499 513.48095:5259 61.46551:62 83.32979:19 171.10329:7 183.13786:20 227.21162:8 232.98239:9 252.9548:11 253.71419:8 253.79694:9 253.8513:19 253.89447:15 254.00554:16 254.08311:15 254.10786:21 254.15469:15 254.27589:17 254.38611:8 254.43021:21 254.45776:19 254.49992:13 254.5294:32 254.72241:19 254.87132:11 254.93753:7 255.01357:27 255.04059:24 255.05917:18 255.09331:19 255.2308:136379 255.69736:87 255.73312:110 255.77992:70 255.80717:72 255.84418:79 255.87299:83 255.9193:63 255.94743:107 255.97665:81 256.03012:40 256.07385:49 256.0979:49 256.12207:71 256.14426:81 256.16418:63 256.20447:90 256.23386:467 256.27194:28 256.30762:50 256.35144:62 256.41284:16 256.43011:15 256.47458:10 256.4971:28 256.56216:34 256.60645:20 256.69501:23 256.72064:32 256.76761:12 256.80569:22 256.82315:60 256.86493:19 256.94974:26 256.98874:17 257.01068:16 257.08072:13 257.10486:16 257.32095:14 257.34842:34 257.68695:22 257.85953:17 257.94171:11 258.01984:23 258.28076:9 258.55157:15 258.63623:5 259.10333:9 259.14258:10 259.3262:6 259.37036:7 259.58746:27 259.8074:8 259.83548:6 260.8974:29 261.83032:13 265.73962:8 266.26038:6 266.56268:6 267.3945:6 267.57574:25 356.33112:18 446.94467:43 479.15048:21 480.9296:9 511.00711:33 511.39774:29 511.43683:25 28808 31876 24807 64 408 3397 1297 563521 252423 231608 212373 214259 209085 214963 0 428428 486358 370737 341792 435439 383229 38421 39383 38931 157.418459574382 2347.37310791016 428507.645833333 386820.145833333 38911.6354166667 28497.142578125 271176.078125 219.454778069461 1484.95522820347 57810.3847692209 46926.6596783087 481.552366145714 3545.14629692238 129804.596051145 324 2.494 513.30231 w/o MS2:LPA 24:4 [M-H]- 0.292 False 6.7 513.29871 C27H47O7P LPA PBDSSLZJFJNZRY-UHFFFAOYSA-N O=C(OCC(O)COP(=O)(O)O)CCCCCCCCCCC=CCC=CCC=CCC=CCC 530 True True False False False null null 93.7 99.9 null null null 75.01 QC-1 513.30231:4370 514.30566:1583 515.30902:478 7002 7440 873 0 0 0 0 46829 41695 40194 38514 37045 36325 38307 0 27369 11808 28082 14687 24636 14576 10039 11252 9217 0 0 22419.54296875 17966.2568359375 10169.2574869792 5104.91182454427 39844.2282366071 0 0 9197.04354944502 5776.13821584823 1023.47621158464 3671.64007595546 3575.23956916497 325 2.819 515.32227 Unknown [M-H]- 0.292 False null null null null null null 999 False False False False False null null null null null null null 77.43 B. cold 2 515.32227:4235 516.32562:1569 517.32898:465 846 994 1130 0 0 0 0 24732 22635 22536 22529 20607 21947 21112 0 33316 37086 33955 27480 36210 34233 1801 785 1145 0 0 34785.5625 32641.2884114583 1243.40889485677 989.85557047526 22299.5987723214 0 0 2017.45538590463 4577.46286212447 515.126067483432 142.056426101553 1325.36142427083 326 3.988 519.36963 w/o MS2:SE 24:1;O4/7:0;1O [M-H]- 0.792 True 7.1 519.36908 C31H52O6 DCAE VARVNIPOGCEULN-UHFFFAOYSA-N O=C(O)CCC(C)C1CCC2C3CCC4CC(OC(=O)CCCC(O)CC)CCC4(C)C3CC(O)C12C 530 True True False False False null null 72.2 100 null null null 933.48 P. room temp 2 519.36963:122269 520.37298:54831 521.37634:9213 43.01934:181 43.21461:13 44.9979:501 45.25061:7 59.01239:22 67.02352:14 69.03485:211 70.94604:28 73.00094:7 81.03463:158 83.05022:1078 84.57456:11 85.06145:32 91.04058:19 93.01832:38 93.03476:79 95.04905:232 96.28601:10 97.0308:14 107.05161:14 107.08744:51 111.04534:64 119.05037:41 131.04861:51 133.06578:77 145.06644:52 145.10127:32 145.35274:5 159.07983:32 161.09856:86 163.11308:387 171.0815:43 173.05788:61 187.07716:46 187.99916:11 188.08456:12 188.23643:60 188.26962:9 188.32652:42 188.42044:10 188.46306:6 188.54945:18 188.80814:7 188.93858:25 189.01891:75 189.09256:82577 189.45161:58 189.47539:81 189.49615:38 189.55247:49 189.57423:70 189.59598:81 189.61279:38 189.6478:46 189.6674:43 189.69296:14 189.7326:102 189.77531:55 189.78918:43 189.81648:35 189.8503:35 189.87527:40 189.92305:60 189.93747:47 189.98566:25 190.00415:18 190.02797:12 190.06157:60 190.09369:153 190.11864:9 190.17583:18 190.22331:24 190.24277:15 190.34247:7 190.37584:9 190.40436:14 190.45691:30 190.47112:17 190.52367:6 190.60953:7 190.79086:12 190.81473:14 190.87679:30 191.15398:14 191.81056:9 193.20877:17 193.97801:32 195.37625:5 196.30461:19 196.68269:7 207.10265:1353 213.933:10 253.71562:15 255.11597:14 255.18221:62 255.23235:3169 255.29271:7 255.3744:7 255.39728:7 255.43594:15 255.52429:7 255.91663:6 256.03979:9 256.23734:32 263.10272:27 263.13089:197 281.14105:34 309.28036:73 329.26538:38 376.9541:8 397.29471:20 399.336:13 417.31454:34 459.33395:44 473.15918:24 473.39972:64 475.15359:6 516.86981:7 518.51294:22 519.22925:35 519.36908:4210 519.44183:34 519.50488:28 519.63086:16 519.70294:12 519.78619:9 624940 616540 636625 0 0 0 0 335130 329101 321869 310188 312607 307171 306836 0 56799 50302 47997 55588 47433 46570 939844 923134 908225 0 0 51699.5768229167 49863.6393229167 923734.083333333 626034.916666667 317557.486607143 0 0 4564.39734836738 4976.47174561629 15817.8036028302 10087.1251336662 11271.3590190801 327 1.409 521.25238 Unknown [M-H]- 0.083 False null null null null null null 999 False False False False False null null null null null null null 76.76 P. cold 1 521.25238:3896 522.25573:851 523.25909:1261 16179 9625 21923 0 0 0 0 3152 3374 3860 3079 3190 2630 3647 0 0 0 0 0 0 0 11370 1059 4647 0 0 0 0 5692.13859049479 15908.7932942708 3275.89090401786 0 0 0 0 5234.36200496252 6153.44416741337 401.335331218605 328 5.761 521.38458 Unknown [M-H]- ion correlated with 321 0.583 True null null null null null null 999 False False False False False null null null null null null null 157.7 P. cold 1 521.38458:15275 522.38793:6167 523.39129:972 41.0031:9 44.9907:25 59.01424:6002 59.05199:16 59.08959:11 59.10245:14 59.11839:13 59.15662:15 59.26497:9 59.31117:10 59.3258:22 59.45362:28 59.68297:23 83.04997:26 92.01168:945 163.07399:37 175.07732:192 207.10027:37 209.11909:37 419.34772:81 428.32129:65 429.37268:200 443.34647:46 461.09741:22 461.36185:44 521.20013:24 521.492:142 129115 126395 113830 0 0 0 0 59013 54260 52153 46521 46169 44827 42149 0 9986 15423 9369 19104 37770 30778 110472 50484 86755 0 0 11592.6839192708 29217.6197916667 82570.3450520833 123113.369791667 49298.7444196429 0 0 3331.50679174558 9430.43835807799 30212.2831545627 8153.94487442846 5996.38040045377 329 9.343 521.52911 w/o MS2:FA 35:0 [M-H]- 0.125 False 13.51 521.53027 C35H70O2 FA HVUCKZJUWZBJDP-UHFFFAOYSA-N O=C(O)CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC 530 True True False False False null null 99.3 99.9 null null null 71.4 B. room temp 3 521.52911:4481 522.53246:1723 523.53582:541 0 0 0 0 0 0 0 51868 61614 61139 58728 62359 46310 59901 0 1170 2787 77617 278 1337 2699 0 0 0 0 0 27191.0781656901 1438.27126057943 0 0 57417.0803571429 0 0 43677.3456677578 1213.62445631647 0 0 6026.85267874475 330 5.685 524.46783 Unknown [M-H]- ion correlated with 386; ion correlated with 417; ion correlated with 400; adduct linked to 386_[M+FA-H]-; adduct linked to 417_[M+Hac-H]-; found in higher mz's MsMs_417; similar chromatogram in higher mz_428; similar chromatogram in higher mz_366 0.542 True null null null null null null 999 True False False False True null null null null null null null 174.38 B. room temp 2 524.46783:14560 525.47118:7721 526.47454:1244 44.99887:12 62.27873:19 132.43813:24 211.20348:111 223.1993:22 238.02202:14 256.22699:33 282.21902:37 282.24399:46 406.29291:31 463.34369:66 476.40378:26 476.44931:43 488.44888:7 523.51666:28 524.26318:15 524.32159:51 524.46704:5500 524.58997:26 524.68561:41 524.76477:22 524.79645:39 524.82275:29 524.85925:16 0 0 0 0 0 0 0 32812 38555 40184 38035 38783 42018 40856 0 87974 100399 85656 83026 84044 77762 0 0 0 0 0 91342.7864583333 81610.796875 0 0 38749.1411830357 0 0 7928.09115780037 3371.61689865434 0 0 2971.66295283007 331 2.015 525.39349 w/o MS2:AAHFA 26:6/8:0;O [M-H]- ion correlated with 150 0.25 False 8.33 525.3949 C34H54O4 FAHFA JHZOSUOVVKQFAX-UHFFFAOYSA-N O=C(OC(C(=O)O)CCCCCC)CCCCCCC=CCC=CCC=CCC=CCC=CCC=CCC 530 True True False False False null null 99 99.8 null null null 80.11 B. room temp 2 525.39349:4644 526.39684:2080 527.4002:345 0 0 0 0 0 0 0 10520 10518 10309 8810 9836 11072 9422 0 28247 29784 24698 25523 24959 24054 0 0 0 0 0 27576.4479166667 24845.4557291667 0 0 10069.4547991071 0 0 2608.56117788472 740.999349133939 0 0 766.530888450306 332 5.963 526.48376 w/o MS2:Cer 12:0;2O/20:0;(2OH) [M-H]- adduct linked to 424_[M+Hac-H]-; found in higher mz's MsMs_424; similar chromatogram in higher mz_436; adduct linked to 390_[M+FA-H]- 0.25 False 8.97 526.48407 C32H65NO4 Cer_ADS UXHBBVITAZTBRV-UHFFFAOYSA-N O=C(NC(CO)C(O)CCCCCCCCC)C(O)CCCCCCCCCCCCCCCCCC 530 True True False False False null null 100 100 null null null 78.42 B. room temp 2 526.48376:4318 527.48711:2063 528.49047:522 2339 2062 2115 0 0 0 0 10037 11685 11704 12159 12487 14304 11909 0 27317 30482 25634 27944 28237 26968 1789 1603 1490 0 0 27811.119140625 27716.056640625 1627.26835123698 2172.11027018229 12040.7209821429 0 0 2461.35315367522 664.512538688281 150.601589369418 146.760899223566 1265.32713832221 334 6.532 529.53333 Unknown [M-H]- ion correlated with 396; adduct linked to 438_[M+Hac-H]-; found in higher mz's MsMs_438; found in higher mz's MsMs_402; found in higher mz's MsMs_431; similar chromatogram in higher mz_1281; similar chromatogram in higher mz_1231; similar chromatogram in higher mz_846; similar chromatogram in higher mz_892; adduct linked to 402_[M+FA-H]- 0.792 False null null null null null null 999 False False False False False null null null null null null null 101.81 IS 2 529.53333:12599 530.53668:4942 531.54004:832 42916 48489 51392 0 0 64889 97677 22981 26303 24166 26159 26913 28507 26643 0 26320 27082 28417 39510 34960 21955 51855 38310 46372 0 81282.92578125 27273.083984375 32141.4661458333 45512.3463541667 47598.98828125 25953.1007254464 0 23184.6337143597 1061.83184376136 9110.54145136407 6813.46107927568 4307.81409373589 1830.75792053899 337 3.011 533.45453 Unsettled: FAHFA 16:0/18:2;O [M-H]- ion correlated with 99; similar chromatogram in higher mz_509 0.625 True 8.38 533.45752 C34H62O4 FAHFA JCRDUCZMRFWETL-UHFFFAOYSA-N O=C(O)CCCCCCC(OC(=O)CCCCCCCCCCCCCCC)C=CCC=CCCCCC 430 True True True False True null null 75.7 99.9 86.8 68.7 50 84.08 B. room temp 2 533.45453:15192 534.45788:5342 535.46124:1021 59.01488:18 99.04739:17 110.03632:56 135.04404:20 138.22124:37 237.22285:25 254.81082:14 255.23262:8063 255.27983:47 255.30959:21 255.37541:22 255.40887:26 255.48817:22 255.51382:24 255.54501:13 255.57028:20 255.59665:15 255.62982:25 255.66866:32 255.76715:26 255.81216:19 255.90613:15 255.95589:14 255.98352:11 256.23792:32 256.42346:6 257.60593:13 277.21588:98 289.0589:5 310.97879:25 324.98947:24 17759 17719 14702 0 206 3077 1408 90814 85022 83811 72909 74564 77918 79752 0 109797 115195 102790 82789 99914 98324 20831 19407 20138 68.7737630208333 2242.54412841797 109260.880208333 93675.6510416667 20125.3626302083 16726.890625 80684.2075892857 119.119651779785 1180.23588178542 6219.85616018584 9461.4910090664 711.847052630482 1753.52044664835 6293.55776637675 338 9.55 535.54572 w/o MS2:FA 36:0 [M-H]- 0.333 False 13.76 535.54602 C36H72O2 FA LRKATBAZQAWAGV-UHFFFAOYSA-N O=C(O)CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC 530 True True False False False null null 100 99.9 null null null 131.49 B. room temp 3 535.54572:9157 536.54907:3760 537.55243:685 0 0 0 0 0 0 0 82725 80928 73048 71940 82409 76760 78609 0 869 3241 88417 371 837 4203 0 0 0 0 0 30842.2666625977 1803.44439697266 0 0 78059.9910714286 0 0 49875.7004984226 2091.23459112987 0 0 4348.77123146541 339 3.107 537.48798 w/o MS2:AAHFA 26:0/8:0;O [M-H]- ion correlated with 376; ion correlated with 132 0.292 False 11.15 537.48877 C34H66O4 FAHFA BQEIUQXJDNLQKO-UHFFFAOYSA-N O=C(OC(C(=O)O)CCCCCC)CCCCCCCCCCCCCCCCCCCCCCCCC 530 True True False False False null null 99.7 99.7 null null null 79.88 QC-1 537.48798:5252 538.49133:2187 539.49469:642 0 0 0 0 0 0 0 35565 13169 11646 10661 11327 10135 10896 0 25295 31613 22453 21578 28994 25687 0 0 0 0 0 26453.6744791667 25419.9446614583 0 0 14771.4261997768 0 0 4688.89334073055 3715.02521706174 0 0 9219.22726005094 340 3.039 541.35284 Unknown [M-H]- 0.542 True null null null null null null 999 False False False False False null null null null null null null 158.63 P. cold 1 541.35291:11060 542.35626:4892 543.35962:634 44.99743:47 69.03588:26 81.03586:46 93.0362:7 95.44041:9 111.04259:50 119.04782:24 125.09384:38 163.09396:11 163.10971:26 168.04134:13 171.08263:22 179.10576:10 189.04816:66 189.09171:6183 189.16725:13 189.23355:9 189.3288:8 189.34068:9 189.41914:22 189.51527:15 189.67128:8 189.81506:6 190.09714:29 191.01086:12 207.05618:25 207.10245:86 207.34438:20 255.23225:75 277.21582:319 277.37119:16 431.30121:16 465.31036:25 480.37265:14 516.39178:20 541.1651:25 541.25354:8 541.30176:52 541.35297:560 541.50281:14 541.58319:11 92327 86907 95393 0 0 0 0 44855 40452 38159 34511 36676 35703 35873 0 6920 8629 6997 7262 8452 7683 111391 98833 121042 0 0 7515.72916666667 7799.20751953125 110421.9140625 91542.1927083333 38032.7572544643 0 0 965.255854648565 603.607557691918 11135.8290429421 4297.35753884532 3576.5789065298 341 2.01 541.36725 Unknown [M-H]- 0.083 False null null null null null null 999 False False False False False null null null null null null null 85.04 B. room temp 2 541.36725:5489 542.3706:2315 543.37396:686 0 0 0 0 0 0 0 5853 5324 4817 4980 5529 6226 6017 0 13756 35757 20040 20423 11135 10050 0 0 0 0 0 23184.1083984375 13869.0022786458 0 0 5535.22377232143 0 0 11332.369180917 5701.35735382917 0 0 529.091737684576 342 3.542 541.38849 w/o MS2:NAGlySer 8:0;O(FA 16:0) [M-H2O-H]- adduct linked to 363_[M-H]- 0.167 False 7.16 541.3858 C29H54N2O7 NAGlySer RLRWJVGPXOQMRP-UHFFFAOYSA-N O=C(OC(CCC)CCCC(=O)NCC(=O)NC(C(=O)O)CO)CCCCCCCCCCCCCCC 530 True True False False False null null 96.5 99.9 null null null 79.17 B. room temp 1 541.38849:4426 542.39184:1809 543.3952:480 0 0 0 0 0 0 0 17363 16616 12287 16068 14015 17455 18779 0 53028 53560 44943 40166 30270 34417 0 0 0 0 0 50510.2786458333 34951.26953125 0 0 16083.1976841518 0 0 4828.62680461774 4969.68677789606 0 0 2227.25959500556 343 3.486 543.36951 Unknown [M-H]- 0.542 True null null null null null null 999 False False False False False null null null null null null null 274.53 P. cold 1 543.3689:18080 544.37225:6581 545.37561:1012 44.52607:18 44.99785:98 69.03367:40 83.04986:101 95.01889:18 95.04921:70 107.0483:61 145.0687:34 159.9742:33 163.11365:100 188.16566:15 188.24626:10 188.97707:41 189.09177:9415 189.15231:57 189.2131:17 189.23842:16 189.27644:40 189.29655:14 189.31454:10 189.35156:22 189.3763:12 189.40245:11 189.4334:32 189.47993:19 189.53325:21 189.5499:7 189.57153:10 189.59985:15 189.67088:6 189.71169:21 189.73785:13 190.06635:16 190.09198:42 190.13788:24 190.22366:22 190.27609:7 207.07057:35 207.10368:326 207.43869:21 264.84357:13 279.16357:37 279.19244:15 279.23297:611 279.79691:14 281.14368:29 363.2619:34 543.28949:78 543.31232:85 543.36853:1336 543.67059:25 145226 150969 157490 0 0 0 0 65468 58930 61548 58622 62178 62437 61920 0 6373 6081 5492 5070 5832 6112 187939 181739 184276 0 0 5982.23372395833 5671.53776041667 184651.135416667 151228.265625 61586.0965401786 0 0 448.93532027901 539.168017304432 3116.7699031972 6135.88393313214 2312.90717863638 344 4.065 543.40533 Unknown [M-H]- ion correlated with 487; similar chromatogram in higher mz_487 0.542 True null null null null null null 999 False False False False False null null null null null null null 182.48 B. room temp 1 543.40533:16367 544.40868:5728 545.41204:1567 151.11105:41 165.12827:62 177.12804:94 179.14304:67 181.11658:33 193.12306:37 203.14175:45 211.13322:31 213.14635:52 241.13503:33 247.18382:21 247.20522:111 249.18538:20 251.14195:47 251.20134:1286 251.31136:6 251.36378:23 251.39391:22 265.17596:34 273.1521:22 273.20349:13 277.21036:29 283.19061:216 291.0307:12 291.14246:41 291.19583:1614 291.29013:7 291.31372:14 291.36679:15 291.49658:12 291.53787:7 291.6441:8 291.68781:8 291.91559:12 292.01596:20 308.19473:13 309.02026:28 309.06888:51 309.11127:43 309.20706:5387 309.26938:20 309.29974:32 309.33926:18 309.37296:18 309.43234:12 309.5015:18 309.53073:25 309.54895:16 309.66449:9 309.73358:12 309.77393:35 309.90179:14 310.04288:15 310.09048:30 310.1734:52 310.20889:67 310.30328:16 310.75388:8 311.22092:119 325.17719:19 417.33728:58 433.27771:34 433.34967:7 481.40491:85 507.39383:13 525.31183:38 525.39331:324 525.54932:10 543.26605:48 543.40497:159 0 0 0 0 0 0 0 68968 66118 68626 58348 56417 60988 60239 0 178800 181480 139260 170505 122632 120019 0 0 0 0 0 166513.213541667 137718.697916667 0 0 62814.8643973214 0 0 23639.8804208863 28423.7200469952 0 0 5056.3110176488 345 5.519 543.4375 Unknown [M-H]- 0.083 True null null null null null null 999 True False False False True null null null null null null null 94.72 IS 2 543.4375:5660 544.44085:3697 545.44421:830 61.98804:2906 62.01988:10 62.07432:13 62.14511:25 62.19987:8 275.16943:10 283.2674:14 469.8053:9 3304 2872 2733 0 0 27352 41211 3642 3230 3598 3455 3365 3814 4035 0 682 312 4390 908 1341 1266 1707 2007 2320 0 34281.4384765625 1794.80766805013 1171.48577880859 2011.25504557292 2969.57373046875 3591.4307686942 0 9799.20592659326 2255.45330395904 231.105852902786 306.4545418065 297.712356600339 273.694337453775 346 1.429 545.29614 w/o MS2:GM3 30:3;2O [M-H]- 0.083 False 7.05 545.30243 C53H92N2O21 GM3 HXGJOPPHHQIITE-UHFFFAOYSA-N O=C(O)C1(OC2C(O)C(OC(CO)C2O)OC3C(O)C(O)C(OCC(NC(=O)CCCCCCCC=CCCCC)C(O)C=CCCC=CCCCCCCC)OC3CO)OC(C(O)C(O)CO)C(N=C(O)C)C(O)C1 530 True True False False False null null 82.1 99.8 null null null 72.15 P. cold 1 545.29614:3621 546.29949:925 547.30285:230 25509 7990 21413 0 0 0 0 8549 7576 8260 8806 8933 8037 9561 0 239 536 838 978 1969 1723 18604 16728 17476 0 0 537.527547200521 1556.73209635417 17602.6399739583 18303.9112955729 8531.76346261161 0 0 299.684599176354 515.976755516315 944.021266934771 9163.61568975799 648.991395505211 347 4.043 545.38428 w/o MS2:RIKEN N-VS1 ID-2593 from Mouse_AdrenalGlands_fads2KO_N_Ctr [M-H]- 0.25 False 7.59 545.38483 Unknown 530 True True False False False null null 99.8 99.9 null null null 112.59 P. cold 2 545.38428:6750 546.38763:2023 547.39099:426 49693 52035 47601 0 0 0 0 19279 18168 16406 16339 17134 18063 17472 0 3061 4274 3752 4622 3540 4175 40494 38672 37938 0 0 3695.68318684896 4112.42749023438 39034.5325520833 49776.453125 17551.5625 0 0 608.646207514994 543.267442397612 1316.2105625042 2217.76790754691 1048.10318216186 348 4.417 545.42102 w/o MS2:SE 24:1;O4/10:0 [M-H]- ion correlated with 375; ion correlated with 128 0.542 True 8.53 545.42108 C34H58O5 DCAE XGVMEOZAUWUTHW-UHFFFAOYSA-N O=C(O)CCC(C)C1CCC2C3CCC4CC(OC(=O)CCCCCCCCC)CCC4(C)C3CC(O)C12C 530 True True False False False null null 100 99.9 null null null 152.43 B. cold 1 545.42102:14057 546.42437:6240 547.42773:1115 142.09891:33 151.11026:71 153.11279:15 165.11037:36 169.12151:41 249.22276:111 249.25555:14 251.12479:25 251.14668:30 251.20155:1282 251.25331:7 252.22668:8 265.21646:33 293.14438:67 293.21185:1068 293.25699:5 293.46948:19 293.66556:10 293.77145:5 311.22287:7271 311.3075:27 311.34619:38 311.41724:38 311.46622:34 311.51361:27 311.54532:5 311.57886:39 311.63071:19 311.70935:30 311.78931:11 311.8212:9 312.06546:17 312.10168:12 312.14941:21 312.22723:112 313.98358:12 322.17358:15 433.24649:15 483.43317:13 527.40955:384 527.76807:28 545.41766:113 0 0 0 0 0 0 0 63689 44297 75040 63316 64791 67944 70119 0 143122 165465 140216 194958 102377 144692 0 0 0 0 0 149600.895833333 147342.3984375 0 0 64170.8861607143 0 0 13815.0269038672 46347.4376315621 0 0 9696.01252422857 349 2.281 547.23523 Unknown [M-H]- similar chromatogram in higher mz_965 0.208 False null null null null null null 999 False False False False False null null null null null null null 111.79 B. room temp 2 547.23523:7361 548.23858:3241 549.24194:655 0 0 0 0 0 0 0 19433 18508 17868 18382 19283 19364 18736 0 51745 60335 38945 22446 40296 37104 0 0 0 0 0 50341.609375 33281.8678385417 0 0 18796.3596540179 0 0 10763.7932362858 9518.77462208206 0 0 589.418915865802 350 1.633 547.31274 w/o MS2:DGGA 10:0_8:0 [M-H]- 0.25 True 5.91 547.31238 C27H48O11 DGGA WPFSJYWJKLGTOT-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCCCC)COC1OC(C(=O)O)C(O)C(O)C1O)CCCCCCC 530 True True False False False null null 100 99.9 null null null 85.3 P. cold 2 547.31238:4694 548.31573:1717 549.31909:346 59.01447:98 73.02452:59 89.02416:31 97.06396:22 110.17371:10 112.98782:41 139.27893:20 179.05898:39 215.16805:13 217.08385:35 235.0519:16 235.0825:75 251.1452:34 251.20102:2369 251.31059:11 251.36539:27 251.51744:23 251.56261:10 251.65094:18 251.86964:12 252.08284:9 252.20427:81 253.09393:370 253.14351:6 253.31833:6 415.24121:17 487.2887:55 529.38782:33 34118 34866 34069 0 0 0 0 14263 15785 14465 13717 13496 12249 13756 0 3713 3904 3433 5236 7438 7598 31829 31922 29159 0 0 3683.09293619792 6757.39453125 30969.9075520833 34351.2486979167 13961.5439453125 0 0 237.021112017797 1320.28026674126 1568.83701250369 446.403878083925 1074.27545730132 351 5.711 547.40057 w/o MS2:SE 24:1;O4/9:0;1O [M-H]- 0.042 False 7.59 547.40039 C33H56O6 DCAE MAQNLIPSCKBHPJ-UHFFFAOYSA-N O=C(O)CCC(C)C1CCC2C3CCC4CC(OC(=O)CCCC(O)CCCC)CCC4(C)C3CC(O)C12C 530 True True False False False null null 100 100 null null null 63.35 P. room temp 3 547.40057:3167 548.40392:1622 549.40728:760 17444 19390 24515 0 0 0 0 5783 6514 5993 5010 5237 5451 4901 0 0 0 0 0 0 0 26855 15521 23024 0 0 0 0 21799.8375651042 20449.61328125 5555.55970982143 0 0 0 0 5765.13162206585 3652.5878352597 577.174732484222 352 5.304 547.43781 Unknown [M-H]- similar chromatogram in higher mz_705 0.542 True null null null null null null 999 True False False False True null null null null null null null 860.12 B. cold 1 547.43781:66229 548.44116:27985 549.44452:4963 69.54685:25 84.02231:31 103.92138:50 127.07964:30 128.09444:19 165.12721:23 177.13113:37 179.10918:23 179.14587:27 181.12215:40 182.98708:24 193.16029:13 195.10046:34 207.14233:18 215.13216:33 228.13531:40 247.20702:134 247.42513:10 253.94635:22 255.1203:10 255.23206:2243 255.30302:11 255.37486:6 255.42421:7 255.49413:12 256.09308:11 256.23129:19 257.32748:5 273.17892:28 291.11777:15 291.19556:2212 291.26468:7 291.32184:6 291.37674:5 291.58322:13 291.64224:9 291.68314:7 291.81689:8 291.86655:18 291.97919:15 292.1972:23 307.51382:15 309.05475:23 309.20679:26919 309.35822:8 309.39536:23 309.43158:21 309.49548:25 309.521:14 309.5701:57 309.59781:15 309.63654:34 309.71027:25 309.75021:28 309.83887:48 309.88245:17 309.91647:19 309.96954:7 309.9968:26 310.01529:13 310.08829:37 310.13104:34 310.20734:218 310.26862:14 310.35565:12 310.38043:13 310.49567:19 310.55771:28 310.71939:12 310.77017:42 310.83414:8 311.22162:399 311.52902:5 312.47156:6 312.76526:9 351.3212:20 407.35651:76 409.38211:6 417.33463:29 437.33383:36 437.36972:21 482.37708:5 485.43549:38 485.74387:15 503.00137:6 511.41919:27 519.99194:18 527.61548:14 529.32336:10 529.42505:2083 529.54584:20 529.70184:8 529.76624:11 529.81635:11 529.88:12 529.93561:12 529.96747:7 530.38367:14 530.42877:97 530.63763:12 545.013:5 547.16766:16 547.27277:26 547.32025:51 547.43536:6447 547.53784:27 547.59125:17 547.62128:25 547.66937:38 547.70123:20 547.73669:31 547.77405:12 547.81335:18 547.92773:16 580 311 1360 0 0 0 0 288958 257073 254736 257737 259979 265875 257836 0 596404 637477 554610 654689 490439 563097 2158 2701 1154 0 0 596163.458333333 569408.229166667 2004.11157226563 750.220306396484 263170.53125 0 0 41434.0541033436 82306.6965298544 784.583375984247 544.933257644929 11893.9593829277 354 2.998 549.42816 Unknown [M-H]- 0.125 False null null null null null null 999 False False False False False null null null null null null null 86.57 B. room temp 2 549.42816:5716 550.43151:2114 551.43487:779 2092 2187 2268 0 0 82 98 17765 17510 15935 15995 15749 16956 17209 0 19892 43137 29689 25317 18764 17087 3447 11874 6670 0 90.112232208252 30906.17578125 20389.21875 7330.10953776042 2182.4794921875 16731.4059709821 0 10.9417426675636 11670.0523128295 4348.86135711903 4252.04872252843 88.2327601661805 826.062687983656 355 5.642 549.45349 Unknown [M-H]- 0.542 True null null null null null null 999 False False False False False null null null null null null null 832.03 QC-1 549.45276:29157 550.45611:11017 551.45947:2394 90.809:7 121.10269:26 129.09235:31 135.10248:20 141.12738:30 142.09891:27 164.13333:8 165.12334:45 199.13535:43 228.13609:33 249.21967:254 249.61325:6 255.12144:24 255.19679:153 255.23262:1786 255.40852:8 255.4472:10 255.59631:9 255.66261:13 256.23743:45 265.21396:47 267.22766:29 293.15186:94 293.21204:1901 293.27417:8 293.32153:24 293.3511:8 293.38647:12 293.82477:5 294.04987:18 294.21609:24 309.97968:13 311.22287:13388 311.30157:83 311.37457:31 311.39322:61 311.45392:37 311.48523:29 311.54529:59 311.60416:34 311.6427:40 311.66223:46 311.68008:21 311.72217:16 311.74051:22 311.77713:20 311.80753:21 311.84424:24 311.94794:10 312.03952:20 312.10364:19 312.14334:19 312.18604:38 312.22559:127 312.27173:6 312.4303:15 312.81744:11 312.89465:12 313.16977:8 315.27682:8 389.31848:5 407.35068:21 419.35071:78 421.33331:35 437.3642:27 437.47763:10 477.16656:28 487.44901:32 513.43512:15 531.29059:38 531.3786:67 531.44092:766 532.44598:10 549.39459:86 549.45264:312 2561 3224 2926 0 0 0 0 331004 293414 291000 291451 307593 305283 291884 0 640304 659913 626223 830003 630182 706864 3811 4354 3968 0 0 642146.583333333 722349.770833333 4044.62923177083 2903.74617513021 301660.995535714 0 0 16920.6251953438 100806.92144712 279.55068966669 332.028114249857 14667.641289148 357 2.02 551.29858 w/o MS2:PG 6:0_14:1 [M-H]- similar chromatogram in higher mz_367 0.083 False 5.78 551.29907 C26H49O10P PG KMQLWVQMMFBLSZ-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCCC=CCCCC)COP(=O)(O)OCC(O)CO)CCCCC 530 True True False False False null null 99.9 99.9 null null null 75.96 P. room temp 2 551.29858:4348 552.30193:1281 553.30529:1665 12308 11226 16671 0 0 0 0 11199 11152 11419 12346 12518 11460 10592 0 3948 5744 3263 4403 5445 5001 20881 33696 25190 0 0 4318.15152994792 4949.67464192708 26589.1451822917 13401.6604817708 11526.3684430804 0 0 1281.59098309755 523.126576174325 6521.27097020764 2882.41693274555 682.007294051074 358 1.527 555.28467 Unknown [M-H]- 0.542 True null null null null null null 999 False False False False False null null null null null null null 273.95 QC-3 555.28394:8192 556.28729:2541 557.29065:780 59.01472:28 78.98529:41 148.99086:33 188.93919:112 291.19797:60 471.22986:12 511.42572:20 551.42249:12 554.9903:12 555.03448:12 555.12939:58 555.16962:49 555.28302:4345 555.36481:39 555.45325:10 555.495:21 555.55481:30 555.58447:34 555.64972:40 555.71368:15 7210 9639 5178 0 0 0 0 71056 62192 66796 68656 64710 63122 66831 0 188362 147681 145165 123806 156636 189482 12089 8007 8726 0 0 160402.859375 156641.239583333 9607.6162109375 7342.25244140625 66194.6021205357 0 0 24246.0029593566 32838.0394244953 2178.87626877634 2233.40951688884 3112.63488024984 359 3.964 555.34515 Unknown [M-H]- 0.125 False null null null null null null 999 False False False False False null null null null null null null 85.1 P. room temp 2 555.34515:4958 556.3485:1874 557.35186:1954 18069 16292 18672 0 0 0 0 8481 8801 8281 9459 8431 7504 7984 0 281 858 1451 557 765 808 29234 36888 28943 0 0 863.348439534505 710.06601969401 31688.1549479167 17677.560546875 8420.22042410714 0 0 585.074390716395 134.4098574117 4505.32014209393 1237.465215386 616.157652973701 360 2.175 555.44244 Unknown [M-H]- similar chromatogram in higher mz_444 0.542 True null null null null null null 999 True False False False True null null null null null null null 248.59 QC-1 555.44244:35580 556.44579:15950 557.44915:2898 59.00955:45 152.99608:15 153.13011:16 172.10274:15 209.68925:14 212.16335:12 226.47038:49 233.22169:34 243.01138:25 247.20338:20 255.23253:86 259.09988:49 265.14331:42 275.25128:6 275.48657:6 275.74475:12 275.76767:19 275.80374:9 275.84229:13 275.91113:25 275.95706:7 276.19821:26 276.22693:18 276.51413:22 276.836:74 276.85324:8 276.92853:17 277.01425:23 277.04926:41 277.09381:22 277.21765:67720 277.60016:89 277.63272:35 277.68433:48 277.72064:27 277.74487:27 277.80267:21 277.82706:43 277.8649:8 277.90762:32 277.96118:50 277.99225:68 278.03497:58 278.07742:38 278.12531:47 278.15414:34 278.21808:532 278.29825:19 278.34338:33 278.36743:16 278.40045:33 278.43774:7 278.56348:21 278.60226:14 278.72906:18 278.84613:19 278.88647:8 279.03653:27 279.34241:12 279.43497:9 279.66608:6 279.70071:13 279.79318:5 279.86276:9 279.98401:10 280.63773:10 281.28064:28 281.48929:21 282.86786:17 439.21664:27 481.30731:22 506.0329:12 555.27185:23 555.38049:59 1222 508 770 0 0 0 0 241223 62517 50414 41407 39692 42626 43648 0 110142 127376 89282 48745 125372 85382 1704 1802 1794 0 0 108933.140625 86499.8098958333 1766.87369791667 833.12949625651 74503.7979910714 0 0 19075.4747036507 38326.13397714 54.4485669413922 361.122849000146 73931.220316919 361 6.281 556.4942 w/o MS2:Cer 12:0;3O/21:0;(2OH) [M+FA-H]- adduct linked to 387_[M+Hac-H]- 0.542 False 8.97 556.49463 C33H67NO5 Cer_AP QURVYQHFULYIOI-UHFFFAOYSA-N O=C(NC(CO)C(O)C(O)CCCCCCCC)C(O)CCCCCCCCCCCCCCCCCCC 530 True True False False False null null 99.9 100 null null null 115.54 B. cold 1 556.4942:8956 557.49755:3385 558.50091:616 0 0 243 0 0 0 0 29564 24737 25464 25020 24482 23805 23944 0 54644 60010 47647 61549 57867 56550 534 583 281 0 0 54100.5390625 58655.6432291667 466.065622965495 81.1141103108724 25288.0198102679 0 0 6199.57877490617 2591.18937791746 162.335117451668 140.493760269178 1972.55345354467 362 2.922 559.39966 w/o MS2:RIKEN N-VS1 ID-2708 from Mouse_Feces_WT_ABX_Ctr [M-H]- 0.208 False 9.28 559.39911 Unknown 530 True True False False False null null 99.8 99.8 null null null 68.39 B. cold 1 559.39966:5532 560.40301:2560 561.40637:479 0 0 0 0 0 0 0 16449 14947 14222 14651 15318 14918 13576 0 41290 38620 34630 42207 27953 29504 0 0 0 0 0 38180.06640625 33221.3444010417 0 0 14868.7827845982 0 0 3351.72554771897 7820.76486565597 0 0 898.610737678593 363 3.558 559.40045 w/o MS2:RIKEN N-VS1 ID-2708 from Mouse_Feces_WT_ABX_Ctr [M-H]- ion correlated with 936; ion correlated with 464; similar chromatogram in higher mz_464; adduct linked to 342_[M-H2O-H]- 0.25 False 9.28 559.39911 Unknown 530 True True False False False null null 99.1 99.8 null null null 72.15 B. cold 1 559.40045:5684 560.4038:3067 561.40716:1061 0 0 0 0 0 0 0 14757 14537 14653 14056 14848 15284 13512 0 36786 38773 30964 45901 34059 34030 0 0 0 0 0 35507.9947916667 37996.7291666667 0 0 14521.1993582589 0 0 4058.46940873905 6844.94901443935 0 0 576.887441411679 364 3.107 559.46906 w/o MS2:RIKEN N-VS1 ID-2713 from Mouse_Feces_WT_ABX_Ctr [M-H]- ion correlated with 191 0.042 False 11.53 559.46899 Unknown 530 True True False False False null null 100 99.6 null null null 63.04 B. room temp 2 559.46906:3152 560.47241:1727 561.47577:467 253 511 0 0 0 0 0 13652 12976 11698 11574 12161 11880 11956 0 22690 24966 20047 17920 22100 21056 0 0 243 0 0 22567.4303385417 20358.4055989583 80.9404754638672 254.75075785319 12270.8410993304 0 0 2461.93747033721 2175.64367011685 140.1930158922 255.512639603621 761.776182142612 365 2.6 559.47327 w/o MS2:AAHFA 28:3/8:0;O [2M-H]- adduct linked to 69_[M-H]-; similar chromatogram in higher mz_410 0.542 True 9.9 559.47321 C36H64O4 FAHFA QHEYAAALAJFCKO-UHFFFAOYSA-N O=C(OC(C(=O)O)CCCCCC)CCCCCCCCCCCCC=CCC=CCC=CCCCCCCC 530 True True False False False null null 100 99.7 null null null 306.56 QC-1 559.47327:37342 560.47662:19616 561.47998:3032 72.99228:23 115.04001:22 151.353:28 277.35385:17 277.75107:19 278.13702:23 278.1889:13 278.37335:20 278.49762:7 278.65594:19 278.82364:12 278.88266:29 278.9675:27 278.99634:26 279.05408:23 279.09448:19 279.11508:26 279.23309:65712 279.55634:73 279.58243:49 279.60748:110 279.63257:26 279.70023:117 279.74719:49 279.78271:19 279.82849:23 279.86377:69 279.89536:52 279.93759:39 279.9595:22 280.01096:23 280.03067:26 280.0715:23 280.12497:23 280.23651:295 280.28696:40 280.35434:27 280.38327:38 280.41757:18 280.48413:40 280.59735:14 280.63211:22 280.67831:14 280.72232:17 280.75394:30 280.82373:17 280.90424:10 280.92242:35 280.96796:9 281.02008:29 281.06064:9 281.15332:22 281.28662:14 281.31558:17 281.37354:11 281.66922:6 281.7041:8 281.98248:21 282.05209:21 282.13336:20 282.48752:5 282.80121:13 283.33026:10 291.60828:6 363.1637:53 464.09158:15 559.25562:28 559.31281:21 559.37555:22 559.4093:65 3966 3812 4335 0 0 0 0 255541 75019 64006 55776 59653 55900 59184 0 145923 165366 115190 94826 146260 123802 6925 7566 7210 0 0 142159.536458333 121629.354166667 7233.88981119792 4037.68644205729 89297.1110491071 0 0 25298.6072928356 25786.0684474513 321.08636797894 268.577646175099 73603.9506342006 366 5.688 560.44452 Unknown [M-H]- 0.083 False null null null null null null 999 False False False False False null null null null null null null 72.47 B. room temp 3 560.44452:4230 561.44787:2280 562.45123:1862 0 0 0 0 0 0 0 12080 12962 9741 10525 9958 10621 10312 0 7882 9637 31803 23222 18794 20986 0 0 0 0 0 16440.7325846354 21000.6477864583 0 0 10885.5989118304 0 0 13333.2702515754 2214.4713120387 0 0 1186.02366713002 367 2.016 561.32648 w/o MS2:DGGA 11:0_8:0 [M+FA-H]- adduct linked to 397_[M+Hac-H]- 0.125 False 6.19 561.328 C28H50O11 DGGA JTFPSXLQMAEBDS-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCCCCC)COC1OC(C(=O)O)C(O)C(O)C1O)CCCCCCC 530 True True False False False null null 98.8 99.9 null null null 72.44 P. room temp 3 561.32648:3779 562.32983:1490 563.33319:364 19808 19424 22256 0 0 0 0 6934 5459 5991 4757 5559 4203 4108 0 46 1408 802 1453 455 42 28127 25927 29147 0 0 752.308942159017 650.355505625407 27733.8619791667 20495.810546875 5287.11837332589 0 0 682.231166356144 725.559326213766 1645.50280113333 1536.53237710984 1013.33431680524 368 3.213 561.41504 w/o MS2:SE 24:1;O4/10:0;1O [M-H]- 0.25 False 7.91 561.41608 C34H58O6 DCAE MXNNMFCNZOIULS-UHFFFAOYSA-N O=C(O)CCC(C)C1CCC2C3CCC4CC(OC(=O)CCCCCC(O)CCC)CCC4(C)C3CC(O)C12C 530 True True False False False null null 99.5 99.9 null null null 67.88 B. cold 1 561.41504:6405 562.41839:2946 563.42175:467 0 0 0 0 0 0 0 15681 15460 14113 13090 14730 15587 13531 0 35631 33140 31548 47321 31284 27916 0 0 0 0 0 33439.7428385417 35506.9615885417 0 0 14598.9605189732 0 0 2058.14204570879 10369.0761045356 0 0 1045.38993826081 369 4.43 561.41602 w/o MS2:SE 24:1;O4/10:0;1O [M-H]- ion correlated with 434; similar chromatogram in higher mz_966 0.542 True 7.91 561.41608 C34H58O6 DCAE MXNNMFCNZOIULS-UHFFFAOYSA-N O=C(O)CCC(C)C1CCC2C3CCC4CC(OC(=O)CCCCCC(O)CCC)CCC4(C)C3CC(O)C12C 530 True True False False False null null 74.3 99.9 null null null 251.9 B. room temp 2 561.41602:22688 562.41937:9547 563.42273:6933 65.03832:51 93.07886:16 113.0584:43 114.02664:61 125.0977:64 147.08093:44 161.09534:26 169.08572:8 176.08095:27 185.12085:37 197.11945:42 207.10072:50 209.11778:157 217.11383:52 225.08333:16 225.11429:122 227.13049:55 236.10178:71 243.17384:12 245.1544:33 255.21555:49 255.23322:480 261.18112:30 279.18997:25 281.24631:19 287.16608:72 304.46786:6 304.66809:19 305.10864:77 305.15335:231 305.17545:2118 305.28802:8 305.39841:8 305.47113:14 305.50711:15 306.17786:40 306.48019:10 307.18896:53 319.30301:10 323.11069:93 323.18631:5641 323.27328:44 323.50928:27 323.57101:6 323.6087:29 323.74579:28 323.80765:25 323.93826:12 324.08047:13 324.16992:24 324.24307:14 324.31772:20 324.78433:14 325.16589:19 325.20343:107 363.28967:40 375.28735:52 383.11957:11 391.31979:25 436.33978:30 437.36511:18 447.49698:6 492.34515:25 499.40924:22 515.22266:38 517.4325:16 525.39752:60 543.33026:19 543.37433:71 543.40417:1248 544.3927:30 544.70038:8 561.21082:8 561.25177:27 561.36755:233 561.41577:3461 561.51373:25 561.612:26 561.67749:29 561.76758:15 561.86603:11 912 579 883 0 0 0 0 75321 67452 70078 68557 70196 68711 68711 0 144727 162157 137243 138630 119807 125831 1958 1516 281 0 0 148042.130208333 128089.638020833 1251.87888590495 791.215474446615 69860.9129464286 0 0 12783.4049325298 9612.69085563362 869.518978136304 184.621231479224 2585.88554980872 370 4.073 561.41602 w/o MS2:SE 24:1;O4/10:0;1O [M-H2O-H]- ion correlated with 408; similar chromatogram in higher mz_408; adduct linked to 408_[M-H]-; similar chromatogram in higher mz_800; similar chromatogram in higher mz_465 0.25 False 7.91 561.41608 C34H58O6 DCAE MXNNMFCNZOIULS-UHFFFAOYSA-N O=C(O)CCC(C)C1CCC2C3CCC4CC(OC(=O)CCCCCC(O)CCC)CCC4(C)C3CC(O)C12C 530 True True False False False null null 100 99.9 null null null 142.33 B. cold 1 561.41602:8994 562.41937:3583 563.42273:55169 0 0 0 0 0 0 0 20978 22764 21033 21742 20996 20279 23083 0 64249 74619 44233 75906 58849 73633 0 0 0 0 0 61033.6145833333 69462.7161458333 0 0 21553.5340401786 0 0 15445.8342652925 9261.93645892021 0 0 1031.00034515226 372 6.172 561.52203 Unknown [M-H]- 0.042 False null null null null null null 999 False False False False False null null null null null null null 74.63 IS 2 561.52203:3732 562.52538:1449 563.52874:308 13925 14383 14311 0 0 13401 24697 10243 8680 9115 8376 8070 8321 7371 0 11619 9792 11515 11152 12010 6917 15601 11306 13800 0 19048.712890625 10975.134765625 10026.3190104167 13568.9674479167 14206.4560546875 8596.63323102679 0 7987.45334106046 1026.32480715244 2727.13587514978 2156.99491913611 246.75598357578 903.042264933878 373 4.781 563.43201 Unknown [M-H]- ion correlated with 512; ion correlated with 389 0.542 True null null null null null null 999 False False False False False null null null null null null null 389.89 QC-1 563.43195:13063 564.4353:6169 565.43866:1132 57.03555:24 83.04364:18 106.12367:59 150.80144:24 155.10756:37 177.09047:16 181.08575:28 185.11607:13 188.15169:22 209.11902:598 209.14423:18 209.3541:19 211.33363:13 226.12094:18 229.14043:30 255.23312:227 263.17557:11 263.2048:15 265.17731:25 269.17416:20 289.18195:195 295.2601:22 305.62503:16 306.96381:49 307.026:25 307.04254:7 307.12784:140 307.19171:4078 307.26746:25 307.29712:23 307.3938:19 307.46045:25 307.56107:22 307.6058:16 307.6705:12 307.86655:45 308.19431:183 308.39423:18 309.77457:12 310.45477:19 317.21271:44 325.13107:24 325.17685:167 325.20142:1156 325.45609:17 325.54419:24 325.77017:13 325.93707:16 326.21664:7 347.31213:46 349.38327:50 353.34555:22 365.37085:8 375.32672:45 377.21014:35 393.29691:13 393.33801:182 429.33734:16 447.34769:85 465.35284:16 501.39413:15 501.42862:45 502.39297:30 517.20734:27 527.40399:27 545.35284:14 545.38641:121 545.4198:707 545.54651:5 545.68732:9 546.05505:10 546.42657:31 546.7558:8 562.43835:11 563.31384:23 563.3653:34 563.43494:379 0 0 0 0 0 0 0 93955 90204 90202 91477 88974 91045 88970 0 191127 202432 173237 222946 184394 195172 888 1153 519 0 0 188931.880208333 200837.697916667 853.460734049479 0 90689.5279017857 0 0 14720.9860767829 19890.7266077305 318.482365017999 0 1721.66271678071 374 4.091 563.43213 Unknown [M-H]- similar chromatogram in higher mz_520 0.542 True null null null null null null 999 False False False False False null null null null null null null 467.62 QC-1 563.4317:14575 564.43505:6901 565.43841:1276 110.03619:45 123.04603:22 141.05461:82 153.09154:42 172.68279:22 197.11633:28 237.14827:30 245.19183:58 253.21558:56 255.20859:30 255.23248:270 255.34245:14 255.55232:14 259.0947:96 263.15942:49 271.16782:63 271.22464:45 289.11154:16 289.18002:790 289.41125:7 305.17447:49 306.80646:22 307.10379:43 307.1481:206 307.1911:4930 307.32114:28 307.35748:17 307.41806:28 307.43625:20 307.50839:19 307.53925:7 307.59369:15 307.66046:49 307.69681:5 307.78098:14 307.97723:7 308.01602:26 308.20618:11 308.35779:8 309.17163:58 309.20291:115 325.13904:35 325.20123:1244 325.26993:6 327.21722:149 362.6167:39 399.21838:23 467.37497:22 518.22137:5 519.42688:31 527.40344:57 528.41937:15 545.31488:37 545.4184:320 546.95984:18 563.30737:44 563.34027:46 563.38397:93 563.43018:1143 563.64368:7 563.77466:8 563.84875:8 0 0 538 0 0 0 0 106414 99974 100568 98634 102043 101083 102124 0 271118 279362 229704 293056 219310 210974 318 264 255 0 0 260061.4375 241113.401041667 278.808965047201 179.30908203125 101548.794642857 0 0 26611.1883845368 45176.3323701422 34.0350843487115 310.572440336661 2463.1391817055 375 4.39 563.4328 Unknown [M-H2O-H]- ion correlated with 409; ion correlated with 348; ion correlated with 128; adduct linked to 409_[M-H]- 0.542 True null null null null null null 999 False False False False False null null null null null null null 138.21 B. cold 1 563.43188:14319 564.43523:5244 565.43859:65942 115.07602:31 139.07834:49 151.11005:64 155.11215:47 167.105:38 171.10408:45 175.06357:22 178.10107:54 179.10991:41 185.11813:55 187.10036:18 209.09831:65 209.11737:344 225.13387:12 227.13443:13 227.16617:19 236.10474:20 243.16985:18 255.21104:54 255.23148:251 255.44142:19 289.18155:48 292.83701:30 301.28839:45 306.17349:49 306.61835:34 307.19092:3112 307.24792:15 307.27884:6 307.38104:6 307.50238:11 307.53656:5 307.6781:7 307.76889:6 308.1814:17 308.43018:10 323.18619:12 325.10263:28 325.20221:786 325.25693:6 325.3255:7 327.21518:51 375.32721:38 375.47308:22 377.30933:14 385.10971:34 393.29504:22 393.33258:72 407.35791:36 447.32733:38 447.34915:78 501.43729:25 517.19977:44 519.41791:48 519.44952:25 527.4104:15 544.79803:24 545.01917:21 545.34436:17 545.38422:72 545.41925:793 546.27222:10 546.43512:7 563.38025:49 563.42865:320 563.72479:5 0 0 0 0 0 0 0 33391 33329 33800 33016 33352 34107 34534 0 84482 92116 59426 116263 91054 116273 0 0 0 0 0 78674.7044270833 107863.041666667 0 0 33647.1908482143 0 0 17101.1516640102 14557.4030352308 0 0 528.069340802725 376 3.137 563.50439 w/o MS2:AAHFA 28:1/8:0;O [2M-H]- adduct linked to 70_[M-H]- 0.292 True 11.26 563.50452 C36H68O4 FAHFA AZWWHADHAQPULC-UHFFFAOYSA-N O=C(OC(C(=O)O)CCCCCC)CCCCCCCCCCCCCCCC=CCCCCCCCCCC 530 True True False False False null null 100 99.7 null null null 120.69 B. room temp 2 563.50439:7695 564.50774:3609 565.5111:959 277.14685:35 279.50906:11 279.74173:19 281.24841:11183 281.34052:66 281.38507:15 281.44296:40 281.46622:32 281.5126:19 281.57059:46 281.62857:25 281.70395:15 281.76196:31 281.86609:21 281.90118:39 281.92285:24 281.97083:5 282.00885:6 282.03439:65 282.09848:17 282.21576:24 282.24796:76 282.29901:6 282.35971:7 282.42938:10 282.62106:9 282.80115:14 283.5899:5 284.38974:15 285.36371:11 311.20587:48 365.29495:30 504.16077:44 517.31622:23 517.35815:5 548.36725:28 563.23395:39 563.41681:70 563.66864:10 0 285 0 0 0 0 0 45279 15653 13866 13113 13629 13295 13553 0 46794 52858 32730 31825 42375 35973 0 0 0 0 0 44127.23046875 36724.3834635417 0 95.15966796875 18341.0319475446 0 0 10325.694928246 5315.38726787797 0 164.82137975326 11908.2464326528 377 9.895 563.57574 w/o MS2:FA 38:0 [M-H]- 0.125 False 14.17 563.57727 C38H76O2 FA AJQRZOBUACOSBG-UHFFFAOYSA-N O=C(O)CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC 530 True True False False False null null 98.8 99.9 null null null 83.49 QC-1 563.57574:4492 564.57909:2189 565.58245:338 0 234 0 0 0 0 0 93055 49126 47683 48824 40333 37261 36306 0 298 1287 47365 0 0 1373 0 0 0 0 0 16316.5581665039 457.561116536458 0 78.104248046875 50369.6339285714 0 0 26893.1359111394 792.51910140909 0 135.28052590415 19594.192569532 378 4.411 565.44775 Unknown [M-H]- similar chromatogram in higher mz_524; similar chromatogram in higher mz_949 0.542 True null null null null null null 999 False False False False False null null null null null null null 507.87 QC-1 565.44708:19534 566.45043:9159 567.45379:1447 55.496:10 59.01521:13 107.04833:43 143.07285:21 155.03023:13 155.1012:21 157.10655:28 171.11346:9 171.12704:11 190.02359:43 195.10136:20 254.85696:56 255.18301:29 255.23264:484 261.1073:19 271.21194:13 283.25931:42 291.15945:167 291.19534:939 291.29553:16 292.19855:18 300.62875:13 308.19418:16 308.99545:16 309.01974:15 309.08047:21 309.11627:41 309.20673:9064 309.27328:60 309.31958:21 309.37823:20 309.4451:26 309.53711:31 309.59055:26 309.67004:15 309.70651:21 309.73703:18 309.7673:24 309.82816:10 309.94467:5 310.00455:23 310.0502:10 310.13879:15 310.20587:34 310.23581:6 310.33771:8 310.5408:12 312.72394:6 323.18576:41 327.12338:28 327.18109:94 327.21701:1357 327.37347:6 327.39325:32 327.45038:13 327.51779:23 327.56042:23 327.9491:17 328.06799:18 328.2262:24 471.00583:33 483.93597:18 529.42535:9 547.435:192 565.36743:76 565.44678:2367 565.57343:11 565.86932:16 565.9433:10 999 699 1092 0 0 0 0 134355 133937 127898 126168 125019 126191 121769 0 269823 261641 234227 337599 247370 261052 581 1538 867 0 0 255230.505208333 282006.703125 995.354431152344 930.351623535156 127905.157366071 0 0 18644.012723975 48627.9401600281 491.407604135272 205.331440360934 4653.36582055928 379 6.534 565.51031 Unknown [M-H]- similar chromatogram in higher mz_1036 0.875 True null null null null null null 999 False False False False False null null null null null null null 390.81 P. cold 1 565.50922:21183 566.51257:9828 567.51593:9205 34.96883:490 35.07243:12 37.24841:56 96.63195:15 283.26495:10 304.55792:8 367.36832:25 561.96924:6 565.38763:39 565.508:5122 565.61285:70 565.75183:31 565.90387:15 565.9491:36 161272 167033 175802 0 0 311360 380462 122426 120063 123785 123602 114423 119687 118781 0 163767 177583 162445 205087 195418 118015 181716 164960 173794 0 345911.046875 167931.817708333 172840.234375 173490.09375 168035.822916667 120395.125 0 48861.8961722062 8384.61522141679 47725.328207777 8382.18891301005 7317.0497606306 3286.02088159732 380 5.202 566.47992 w/o MS2:RIKEN N-VS1 ID-2786 from Mouse_Feces_WT_N_Ctr [M-H]- 0.25 False 8.32 566.47913 Unknown 530 True True False False False null null 99.7 100 null null null 90.34 B. cold 2 566.47992:5205 567.48327:2509 568.48663:372 0 0 0 0 0 0 0 13540 12729 12050 12540 11820 12233 13301 0 27248 33821 25974 36618 38533 35269 0 0 0 0 0 29014.09375 36806.3958333333 0 0 12601.7508370536 0 0 4211.39892404661 1640.14208258339 0 0 637.715812075151 381 3.349 567.36835 w/o MS2:PG O-8:0_14:0 [M-H]- 0.25 True 7.53 567.3667 C28H57O9P EtherPG RRKXCJRDUPCPCJ-UHFFFAOYSA-N O=C(OC(COCCCCCCCC)COP(=O)(O)OCC(O)CO)CCCCCCCCCCCCC 530 True True False False False null null 98.3 99.9 null null null 90.91 P. room temp 1 567.36877:5189 568.37212:2458 569.37548:380 57.0354:29 83.04975:57 163.07494:39 163.10008:21 169.06252:46 171.08583:48 188.86319:9 189.05666:56 189.09171:3516 189.16078:8 189.20461:5 189.30441:17 189.39944:11 189.49593:23 189.51764:16 189.56892:16 189.61835:28 189.65166:22 207.04016:14 207.09995:48 285.21133:23 303.19101:30 303.23022:187 384.92584:6 489.33441:39 567.22876:25 567.36713:471 567.45508:9 567.49622:7 28572 29583 34585 0 0 0 0 20261 19552 21020 19008 18272 17935 18875 0 15709 16281 13890 13012 13599 13644 39875 37314 40382 0 0 15293.2177734375 13418.2034505208 39190.3463541667 30913.2669270833 19274.7502790179 0 0 1248.78036883087 352.867714199389 1644.55149465314 3219.70889967356 1089.94202633912 382 6.538 567.50745 Unknown [M-H]- 0.167 False null null null null null null 999 False False False False False null null null null null null null 117.95 B. cold 2 567.50745:6772 568.5108:2509 569.51416:383 48612 54076 55512 0 0 96496 116829 38536 35391 38975 36898 36811 35922 34196 0 48764 51393 48770 59546 58679 35995 54396 49940 48834 0 106662.6796875 49642.25390625 51406.43359375 51056.7669270833 52733.328125 36675.7393973214 0 14377.7900071048 1516.46405944093 13354.1653606128 2944.649133224 3640.61256578776 1692.51336404204 383 6.04 568.49341 w/o MS2:Cer 12:1;3O/22:0;(2OH) [M-H]- similar chromatogram in higher mz_1029 0.083 False 8.79 568.49463 C34H67NO5 Cer_AP SPPRCRLOANLLAU-UHFFFAOYSA-N O=C(NC(CO)C(O)C(O)CCCC=CCCC)C(O)CCCCCCCCCCCCCCCCCCCC 530 True True False False False null null 99.3 100 null null null 65.76 B. room temp 2 568.49341:3510 569.49676:1424 570.50012:495 0 0 0 0 0 0 0 7057 6966 7633 6815 8615 6967 6612 0 21814 24657 18676 22387 22452 19889 0 0 0 0 0 21715.3059895833 21575.8567708333 0 0 7237.73758370536 0 0 2991.59100809987 1461.53764661932 0 0 683.684388744735 384 1.565 569.20459 Unknown [M-H]- 0.25 True null null null null null null 999 False False False False False null null null null null null null 102.56 B. room temp 1 569.20459:11730 570.20794:6812 571.2113:3070 44.99774:35 174.06432:32 251.13136:13 255.06686:25 277.10666:31 295.15564:67 305.19308:8 479.20041:8 482.15497:19 495.17831:6 496.12454:23 496.17294:90 496.78476:8 497.22601:29 510.20773:15 529.73193:21 554.17688:64 565.33575:12 565.78717:5 566.01788:16 568.74811:18 568.78345:34 569.01422:10 569.04498:89 569.07733:46 569.20319:7602 569.33337:59 569.43719:16 569.51257:32 569.54205:19 569.63226:28 569.67914:21 0 0 0 0 0 0 0 19958 18048 18482 18853 19127 18468 17919 0 86962 60648 52651 43401 24315 28019 0 0 0 0 0 66753.7317708333 31911.69140625 0 0 18693.3557477679 0 0 17951.5698034656 10120.6515438686 0 0 698.163649370383 385 4.277 569.4209 w/o MS2:NAGlySer 10:0;O(FA 16:0) [M-H]- 0.542 True 7.7 569.41711 C31H58N2O7 NAGlySer HTBLPGLMNPSKNG-UHFFFAOYSA-N O=C(OC(CCC)CCCCCC(=O)NCC(=O)NC(C(=O)O)CO)CCCCCCCCCCCCCCC 530 True True False False False null null 68.6 99.9 null null null 241.51 B. room temp 2 569.4209:29617 570.42425:13213 571.42761:2312 34.01726:20 107.07966:61 111.08264:39 121.09906:56 127.11232:103 133.10214:79 139.1122:18 147.11024:23 151.11021:65 153.12643:73 165.11024:37 165.13245:23 167.1097:65 169.08553:34 171.08281:13 177.12894:68 179.07462:13 179.10576:31 181.11839:39 189.06284:54 193.16069:49 197.11923:36 199.13287:32 205.19537:44 225.16393:18 235.13068:59 237.14842:63 245.192:38 247.20876:186 251.20164:857 252.29105:11 259.2446:43 263.19919:25 265.18054:116 273.1861:43 273.22037:228 273.62018:14 277.21591:1715 277.26291:10 277.31927:22 277.35037:8 277.45734:12 277.86618:11 278.51746:16 283.16153:13 283.19119:148 291.19571:1843 291.29318:11 291.45303:28 291.48434:9 292.02734:23 303.23163:98 303.55908:48 307.18127:10 309.10474:48 309.20667:7550 309.30392:20 309.35345:14 309.39044:59 309.41644:23 309.46338:29 309.51724:32 309.56067:9 309.61575:12 309.64389:29 309.69397:6 309.71689:18 309.75388:12 309.81601:31 309.94977:47 309.96811:7 310.09744:6 310.20541:55 310.23172:10 310.26019:23 310.41846:19 310.5524:12 310.71075:10 317.1395:30 317.17599:40 317.21265:318 318.15521:14 331.2121:45 335.13428:21 335.18396:39 335.22198:1380 337.21701:55 337.7327:13 338.13278:6 358.30054:21 391.23041:43 397.29559:32 403.03967:18 441.3364:45 459.34232:84 507.41916:123 523.32501:43 526.43579:15 533.39612:29 551.37238:81 551.40826:877 551.61389:10 551.75763:5 551.83472:14 552.33234:15 552.44965:20 569.38464:30 569.4212:193 569.50775:11 0 0 0 0 0 0 0 118283 115770 112317 104605 106645 102973 107527 0 293388 315155 253684 234786 230192 226070 0 0 0 0 0 287409.432291667 230349.505208333 0 0 109731.487723214 0 0 31168.5902260243 4360.14645697849 0 0 5811.30459693208 386 5.685 570.47333 w/o MS2:Cer 12:0;2O/19:1;(2OH) [M+FA-H]- ion correlated with 330; ion correlated with 417; ion correlated with 400; adduct linked to 330_[M-H]- 0.542 False 8.46 570.47388 C31H61NO4 Cer_ADS MIAXBYONSJXMGO-UHFFFAOYSA-N O=C(NC(CO)C(O)CCCCCCCCC)C(O)CCCCCCC=CCCCCCCCCC 530 True True False False False null null 99.8 100 null null null 157.16 B. room temp 3 570.47333:11183 571.47668:5101 572.48004:1350 0 0 0 0 0 0 0 44413 39061 38139 40946 38947 39990 37318 0 67337 77330 78502 72099 69297 65573 289 0 0 0 0 74389.6276041667 68989.6666666667 96.2767944335938 0 39830.3409598214 0 0 6135.60604395619 3273.75940691711 166.756299548849 0 2338.55667075683 387 6.281 570.50983 w/o MS2:Cer 12:0;3O/22:0;(2OH) [M+Hac-H]- adduct linked to 361_[M+FA-H]- 0.542 True 9.31 570.51031 C34H69NO5 Cer_AP MFZOLBMIMXNESI-UHFFFAOYSA-N O=C(NC(CO)C(O)C(O)CCCCCCCC)C(O)CCCCCCCCCCCCCCCCCCCC 530 True True False False False null null 99.9 100 null null null 212.46 B. room temp 2 570.50983:17314 571.51318:7549 572.51654:1338 59.01433:705 65.39536:22 223.20493:30 248.97203:22 257.23419:50 266.2229:43 266.24594:56 283.21353:7 391.23672:37 507.284:11 507.3696:43 507.43188:11 510.30814:11 510.37198:103 510.48859:8097 510.60092:27 510.64127:25 510.68741:32 510.72195:16 510.75916:32 510.81454:52 510.85553:20 510.92499:20 510.95624:42 510.97989:32 511.05048:7 511.14371:45 511.19058:45 511.2485:24 511.38953:11 511.42499:7 511.49326:116 511.7558:10 514.79852:12 523.32428:30 524.23651:13 524.33545:61 525.32843:18 526.39581:10 569.88708:10 570.34912:56 570.45679:124 570.50867:898 570.65393:30 570.6875:15 570.77344:5 570.8031:18 570.96985:6 1158 816 583 0 0 0 0 45170 43030 42636 40763 41430 42754 40632 0 108569 118892 91270 112605 113067 102529 1273 1041 1571 0 0 106243.638020833 109400.080729167 1295.10909016927 852.25380452474 42344.9670758929 0 0 13957.2883303367 5955.17908710502 265.41964717686 289.289510691055 1579.80227188109 388 5.325 571.43628 Unknown [M-H]- 0.167 False null null null null null null 999 False False False False False null null null null null null null 127.25 B. cold 3 571.43628:7268 572.43963:3351 573.44299:7526 0 0 0 0 0 0 0 37241 34615 33619 33472 36095 38179 34188 0 86521 89502 72652 106884 94587 110105 0 0 0 0 0 82891.5625 103858.471354167 0 0 35344.0027901786 0 0 8992.17023723636 8189.52943365777 0 0 1850.49101325054 389 4.784 571.43689 Unknown [M-H]- ion correlated with 373 0.542 True null null null null null null 999 False False False False False null null null null null null null 453.27 QC-1 571.43683:14775 572.44018:7275 573.44354:1073 139.10397:48 151.1142:37 195.13991:25 231.18394:16 247.20518:193 255.20999:37 255.23207:32 263.19873:41 273.18579:74 279.23315:1037 279.34833:9 283.1925:15 291.11578:39 291.19611:1485 291.26593:24 292.26782:7 305.12018:30 305.24695:48 307.32471:6 307.77585:8 309.11075:26 309.15347:188 309.20755:5584 309.26129:40 309.30048:7 309.32953:41 309.36008:10 309.42673:21 309.45105:25 309.48145:23 309.54224:20 309.59695:39 309.69424:30 309.72464:14 309.74994:11 309.82196:9 310.04703:13 310.09659:7 310.13831:20 310.2113:83 310.3436:11 310.83243:14 311.22226:81 312.40463:16 317.20679:8 337.23422:49 402.3183:48 431.35855:19 443.354:48 444.35132:34 509.43457:24 527.44476:27 553.37738:60 553.42407:456 554.11896:13 554.44232:15 571.39111:48 571.43408:91 0 0 0 0 0 0 0 189147 186844 174951 172968 179962 171795 172727 0 508186 522892 404945 445673 362090 389481 278 239 0 0 0 478674.583333333 399081.416666667 172.609268188477 0 178342.042410714 0 0 64273.2942140764 42610.1918882587 150.756335438435 0 7146.42189484687 390 5.962 572.48822 w/o MS2:Cer 12:0;2O/19:0;(2OH) [M+FA-H]- ion correlated with 424; adduct linked to 332_[M-H]- 0.292 False 8.79 572.48962 C31H63NO4 Cer_ADS JYMHQUSFRPLOBA-UHFFFAOYSA-N O=C(NC(CO)C(O)CCCCCCCCC)C(O)CCCCCCCCCCCCCCCCC 530 True True False False False null null 99 100 null null null 102.21 B. cold 1 572.48822:6119 573.49157:2576 574.49493:522 2649 2956 3133 0 0 0 0 21729 19661 18656 18366 18143 18467 18772 0 36664 40959 36561 43002 40037 35264 2796 1979 2415 0 0 38061.1966145833 39434.3138020833 2396.64318847656 2912.78011067708 19113.5340401786 0 0 2510.09185742186 3904.26628684658 408.480767107454 244.7151578989 1250.57788859801 391 2.313 573.38977 LPC 18:1(d7) [M+FA-H]- adduct linked to 425_[M+CH3COO]-; similar chromatogram in higher mz_1226; similar chromatogram in higher mz_1213 0.625 True null null null null null null 999 True False False False True null null null null null null null 71.93 IS 2 573.38977:5302 574.39312:2726 575.39648:382 44.99794:161 224.06642:22 244.00281:8 286.95914:17 288.12811:23 288.24249:9 288.29245:917 288.33344:11 289.29367:36 289.55222:12 510.21448:17 513.21564:21 513.28448:43 513.32495:103 513.36871:2089 513.45087:13 513.56836:18 513.61536:32 513.67798:17 513.78766:17 513.83466:15 513.91296:8 513.96039:10 514.19476:12 514.37524:64 573.38464:26 35080 34803 34696 0 0 36618 47456 28519 28111 26336 26501 25807 23694 23368 0 25138 22496 27533 25825 25433 20014 33789 25965 34483 0 42036.775390625 25055.5475260417 23757.3072916667 31412.4147135417 34859.53125 26048.1467633929 0 7663.88017313516 2519.65902134258 3247.56146354588 4729.94892749688 197.778773359348 1976.09271966125 392 5.682 573.45233 w/o MS2:SE 24:1;O4/12:0 [M+FA-H]- adduct linked to 428_[M+Hac-H]- 0.542 True 8.92 573.45239 C36H62O5 DCAE UYEDYUMWUKRZOV-UHFFFAOYSA-N O=C(O)CCC(C)C1CCC2C3CCC4CC(OC(=O)CCCCCCCCCCC)CCC4(C)C3CC(O)C12C 530 True True False False False null null 100 99.9 null null null 488.63 B. cold 3 573.45233:43959 574.45568:20106 575.45904:20792 39.00651:9 153.12561:25 165.08778:28 165.12775:33 167.14516:98 169.15819:28 203.18657:23 219.17526:344 255.23286:801 255.51971:14 255.90573:31 273.22281:699 273.2735:8 273.44824:7 291.21255:18 302.00732:21 317.15704:66 317.2124:3552 317.2977:22 317.32935:17 317.40939:15 317.42786:20 317.49557:28 317.5545:15 317.58798:10 317.61823:31 317.69879:14 317.72339:7 317.76672:9 317.8035:22 317.93286:18 318.3273:23 335.2233:8414 335.29181:21 335.31714:21 335.42471:25 335.49435:18 335.53229:26 335.60825:31 335.65442:18 335.72855:9 335.75446:13 335.8172:21 335.92484:18 336.00717:34 336.07053:6 336.22562:74 336.27008:7 336.49823:6 349.84073:13 493.43314:8 527.49017:25 555.33099:10 555.401:75 555.44409:886 555.49512:5 555.79517:24 572.90161:22 573.29871:16 573.38971:43 573.45343:2412 573.5304:32 573.62177:20 573.6947:20 573.91113:21 0 0 0 0 0 0 0 188979 184942 177160 162297 162693 171354 175822 0 342788 353292 327595 535453 465477 514632 277 0 0 0 0 341224.75 505187.4375 92.4561360677083 0 174749.629464286 0 0 12919.2709820265 35931.7068998716 160.138725140772 0 10208.6217141906 393 5.122 573.45264 w/o MS2:SE 24:1;O4/12:0 [M-H]- 0.542 True 8.92 573.45239 C36H62O5 DCAE UYEDYUMWUKRZOV-UHFFFAOYSA-N O=C(O)CCC(C)C1CCC2C3CCC4CC(OC(=O)CCCCCCCCCCC)CCC4(C)C3CC(O)C12C 530 True True False False False null null 100 99.9 null null null 359.41 B. room temp 2 573.45264:31955 574.45599:15070 575.45935:2218 44.99717:56 127.0181:21 127.07373:54 139.11238:57 151.11447:19 165.12822:47 169.12604:12 181.12206:103 197.11948:65 215.12843:33 249.10912:31 249.22253:506 249.43629:15 253.21613:19 265.18832:6 265.21558:54 279.2326:1695 279.28702:12 279.45294:17 279.61456:5 279.67236:14 279.71707:7 279.8226:6 280.08438:17 280.89877:27 290.21182:19 293.21158:1625 293.25131:33 293.32986:64 293.42877:5 293.70624:7 294.19885:30 294.21661:50 294.3652:21 311.05234:53 311.07672:18 311.10718:34 311.22318:15695 311.3175:43 311.33884:36 311.37543:24 311.39981:24 311.45303:26 311.49356:44 311.53394:47 311.56595:27 311.58887:16 311.61935:17 311.65482:17 311.71085:32 311.74747:25 311.85556:14 311.88171:11 311.90918:18 311.99765:36 312.08344:13 312.14987:7 312.19296:15 312.2236:107 312.40063:22 312.54108:19 312.60837:13 312.84052:25 312.91995:15 313.2562:7 314.58463:30 319.22723:9 321.23914:44 335.21201:38 335.60925:6 336.2254:8 337.24332:69 431.34756:59 461.32986:16 461.36621:93 475.37323:54 511.44315:10 554.74005:27 555.44141:700 555.5199:10 555.59314:10 555.862:31 556.25311:22 573.32635:20 573.4162:47 573.45007:405 573.92932:26 0 0 0 0 0 0 0 92745 92219 125640 120278 121717 85294 123994 0 328143 335928 295852 324047 247617 280898 0 0 0 0 0 319974.354166667 284187.416666667 0 0 108841.1328125 0 0 21250.0783818714 38321.2301125651 0 0 17786.8347347557 394 5.506 573.453 w/o MS2:SE 24:1;O4/12:0 [M-H]- 0.375 True 8.92 573.45239 C36H62O5 DCAE UYEDYUMWUKRZOV-UHFFFAOYSA-N O=C(O)CCC(C)C1CCC2C3CCC4CC(OC(=O)CCCCCCCCCCC)CCC4(C)C3CC(O)C12C 530 True True False False False null null 99.9 99.9 null null null 412.76 B. cold 1 573.453:43488 574.45635:23311 575.45971:4286 67.05421:15 91.05261:23 93.07105:70 106.03145:48 107.08726:56 113.09774:153 115.07625:88 121.10232:73 125.08548:63 127.11247:765 127.15741:9 127.21738:15 127.57885:8 128.08636:17 129.09087:25 133.10158:135 141.09364:66 147.0844:22 147.11792:35 149.09769:39 151.11372:35 153.1297:96 155.10707:32 161.13338:82 163.06937:56 165.08607:27 165.12746:128 177.09448:30 177.13071:26 177.39726:16 179.10664:104 179.14346:56 189.09183:75 189.12793:34 191.10696:81 191.14391:79 192.94556:23 193.15562:21 201.12646:23 203.10126:15 207.11047:28 207.1396:105 217.16438:25 219.14465:29 237.13699:16 253.95761:31 255.15456:75 255.19243:125 255.23264:4002 255.33612:10 255.34769:13 255.40791:15 255.46864:8 255.51836:17 255.5751:22 255.62833:16 255.68283:14 255.96629:10 256.00742:6 256.13016:18 256.24713:36 256.31989:23 256.61832:9 266.14886:56 268.16516:12 271.18954:5 272.35739:12 273.16492:9 273.22314:1042 273.3465:11 273.37341:24 273.45209:14 273.47617:8 279.27133:20 281.25073:25 282.18451:18 285.18137:20 289.2182:91 291.19412:218 291.23495:85 299.20111:133 305.28821:29 309.20728:129 311.22104:40 317.14401:69 317.21222:4247 317.27328:11 317.35928:15 317.42099:8 317.47638:5 317.54849:16 317.61801:7 317.702:9 318.2403:5 318.72745:6 319.19647:53 329.90918:22 332.56961:12 333.26828:11 333.68588:11 335.01086:47 335.04535:21 335.14706:85 335.22247:10870 335.29358:53 335.32391:34 335.37332:56 335.4071:34 335.46204:34 335.50632:57 335.59259:31 335.62018:32 335.65814:24 335.68979:6 335.72781:28 335.87299:7 335.97934:9 336.00531:17 336.03494:13 336.11411:14 336.22525:165 336.2915:26 336.7796:12 336.8367:7 336.91913:22 337.22598:30 340.20621:59 347.34967:28 372.22592:23 407.35052:16 413.38412:19 445.36612:76 447.37051:23 475.34521:11 475.37085:21 481.56653:14 511.41492:34 511.45215:195 512.23663:13 555.28033:22 555.44202:876 555.57355:15 555.63104:28 555.69623:16 555.95837:9 556.02209:28 556.10358:24 556.20947:11 556.53149:13 556.70673:19 556.98395:8 557.16327:8 573.38892:69 573.45355:638 573.7746:5 573.95123:5 0 0 0 0 0 0 0 113514 103119 97445 98484 92340 92842 96788 0 274829 270008 228596 304158 270497 283482 0 0 0 0 0 257810.916666667 286045.427083333 0 0 99218.8627232143 0 0 25415.7025130291 16976.2030295103 0 0 7270.31766799694 395 4.239 574.4505 w/o MS2:SL 12:0;O/20:0 [M-H]- ion correlated with 461; similar chromatogram in higher mz_853 0.208 False 8.75 574.45111 C32H65NO5S SL KUSBZFJFKMSPLT-UHFFFAOYSA-N O=C(N(CC(O)CCCCCCCCC)CS(=O)(=O)O)CCCCCCCCCCCCCCCCCCC 530 True True False False False null null 99.8 99.9 null null null 72.83 B. room temp 2 574.4505:4706 575.45385:1910 576.45721:513 3917 3740 5074 0 0 0 0 8661 8607 7920 9419 8856 8932 8688 0 24803 31087 21358 20023 21828 18616 4792 3205 5111 0 0 25749.109375 20155.3665364583 4369.37963867188 4243.29825846354 8726.06040736607 0 0 4933.13354923286 1610.1299962587 1020.97072191405 724.504848525635 449.102508248378 396 6.535 574.53198 Unknown [M+FA-H]- ion correlated with 334; adduct linked to 431_[M+Hac-H]- 0.792 False null null null null null null 999 False False False False False null null null null null null null 115.26 IS 2 574.53198:16171 575.53533:351356 576.53869:132753 45825 53097 52126 0 0 94719 130286 32719 30192 30720 29830 29850 28746 28154 0 25645 22619 29178 39572 32121 19198 54269 43577 46988 0 112502.53125 25814.1321614583 30296.9231770833 48277.9596354167 50349.0690104167 30030.2963169643 0 25149.3685757886 3283.12445562999 10308.4405768465 5461.83815300194 3948.02698488556 1470.43896054508 397 2.026 575.34332 Unknown [M+Hac-H]- adduct linked to 367_[M+FA-H]-; similar chromatogram in higher mz_404 0.25 True null null null null null null 999 True False False False True null null null null null null null 133.25 P. room temp 1 575.34332:8287 576.34667:2597 577.35003:525 44.99757:16 59.01372:373 83.01468:19 119.03528:73 128.50958:7 145.0508:52 157.03587:20 196.98289:30 235.07971:73 251.20114:102 253.09389:1077 253.20407:6 253.53958:16 264.83139:7 279.16702:40 279.23315:4548 279.31885:11 279.34268:10 279.41702:20 279.51544:26 279.53677:12 279.56644:24 279.59033:8 279.64233:16 280.0817:19 280.24362:13 360.01511:50 408.98456:36 515.32312:23 575.36005:12 41831 43275 46599 0 0 0 0 21166 17772 18881 21719 19749 19181 20216 0 5498 5868 5097 8931 9996 10917 62414 54902 58041 0 0 5487.5654296875 9948.11653645833 58452.1041666667 43901.3294270833 19811.7606026786 0 0 386.054814512145 993.724116637916 3772.65241744896 2444.86649640564 1358.01706749199 398 2.052 575.40717 w/o MS2:LPA 28:1 [M-H]- similar chromatogram in higher mz_441 0.042 False 8.43 575.4082 C31H61O7P LPA NEUBNJBZHMMPBD-UHFFFAOYSA-N O=C(OCC(O)COP(=O)(O)O)CCCCCCCCCCCCCCCC=CCCCCCCCCCC 530 True True False False False null null 99.5 99.8 null null null 67.1 B. room temp 2 575.40717:3355 576.41052:1691 577.41388:564 0 0 0 0 0 0 0 7100 7382 6650 5661 6766 6999 6476 0 18335 21562 15471 9318 18212 16145 0 0 0 0 0 18456.1539713542 14558.4166666667 0 0 6719.21393694196 0 0 3046.94544466503 4654.78723365626 0 0 555.030738705575 399 1.399 575.45386 Unknown [2M-H]- ion correlated with 1014; adduct linked to 89_[M-H]- 0.542 True null null null null null null 999 False False False False False null null null null null null null 419.6 B. room temp 1 575.45374:56677 576.45709:22045 577.46045:3551 56.99669:65 75.00804:68 104.62066:36 152.88678:55 211.20358:6 241.21852:23 285.36426:20 285.46365:6 285.54099:16 285.76715:9 285.90564:9 285.98898:12 286.90405:32 286.96576:18 287.04196:10 287.07123:22 287.22336:48175 287.49197:58 287.56064:59 287.61261:27 287.63611:29 287.67453:45 287.73566:54 287.78067:46 287.81531:42 287.86209:33 287.89148:48 287.93277:30 287.99402:18 288.0274:75 288.06549:28 288.10974:31 288.15421:31 288.18329:14 288.22626:305 288.28442:46 288.31433:8 288.34311:10 288.40472:15 288.44284:15 288.46835:26 288.51917:10 288.58371:25 288.72736:13 288.81558:7 288.85965:38 288.88904:7 288.95355:10 289.18982:7 289.21213:16 289.4241:7 289.52747:5 291.07205:8 300.47903:15 307.18866:32 325.18332:34 489.15347:23 575.00861:17 575.33221:10 575.38751:33 575.44769:37 0 0 0 0 0 0 0 117479 51836 57839 63491 52691 51381 60221 0 533127 47807 77481 320331 646392 632651 0 0 0 0 0 219471.544270833 533124.895833333 0 0 64991.1300223214 0 0 272038.551276565 184412.633830955 0 0 23596.2793516182 400 5.698 575.46722 w/o MS2:RIKEN N-VS1 ID-2865 from Mouse_Ear_fads2KO_N_Ctr [M-H]- ion correlated with 330; ion correlated with 417 0.458 False 9.14 575.46771 Unknown 530 True True False False False null null 99.9 99.9 null null null 167.34 B. cold 1 575.46722:17754 576.47057:7626 577.47393:1414 0 0 0 0 0 0 0 95975 90208 84165 87048 89359 87943 88266 0 168647 163873 168733 249187 199219 227536 0 0 0 0 0 167083.973958333 225314.015625 0 0 88994.9029017857 0 0 2781.41644956337 25057.833023678 0 0 3630.46643610123 401 6.184 575.53754 Unknown [M-H]- similar chromatogram in higher mz_406 0.25 False null null null null null null 999 False False False False False null null null null null null null 66.16 IS 2 575.53754:3688 576.54089:1748 577.54425:306 18969 21923 22129 0 0 14945 25388 14589 14136 13572 14483 13254 12643 14141 0 18843 18855 19202 22598 22653 13487 23769 20095 24771 0 20166.595703125 18966.3235677083 19578.9332682292 22878.5130208333 21006.951171875 13831.1209542411 0 7384.65033437066 203.809756228841 5276.09867514098 2461.89485653684 1767.81400847078 707.101277848239 402 6.534 575.53937 Unknown [M+FA-H]- adduct linked to 334_[M-H]- 0.875 True null null null null null null 999 False False False False False null null null null null null null 2232.99 P. cold 1 575.53912:121715 576.54247:56226 577.54583:9986 40.65062:29 44.99795:11525 45.03282:33 45.04152:7 45.059:23 45.0677:15 45.11816:13 45.12519:26 45.15888:10 45.19383:22 45.21802:30 45.28294:18 45.35056:19 45.37968:20 45.48796:23 164.70149:17 168.3848:39 223.19415:40 240.23866:22 241.21445:48 244.26794:58 259.98984:21 266.24933:95 270.24069:29 270.28027:42 275.30807:8 297.64865:37 334.81058:7 457.32147:33 499.52246:48 515.22339:9 526.24414:9 526.43481:21 526.48199:20 526.79126:12 527.89423:13 528.52948:12 528.87115:9 529.04846:21 529.22089:9 529.35602:22 529.39972:140 529.42822:148 529.53265:20944 529.64813:91 529.71088:54 529.75165:52 529.78644:50 529.85425:62 529.88141:55 529.92627:44 529.99225:30 530.06854:37 530.09674:40 530.15131:56 530.18243:20 530.23883:41 530.31183:11 530.35028:19 530.37811:10 530.42993:31 530.49298:54 530.53235:264 530.58478:31 530.64514:44 530.71637:35 530.78802:28 530.89484:29 530.96082:9 531.01892:11 531.05872:23 531.17542:10 531.21796:10 531.38525:18 531.53546:24 532.31665:14 532.39734:6 532.58075:21 536.23804:7 571.59625:12 571.72693:18 571.85895:14 572.23102:27 572.35913:10 572.52039:18 575.08789:25 575.18036:21 575.23547:26 575.34271:28 575.4234:76 575.53741:15773 575.65973:104 575.69153:76 575.76044:56 575.81586:87 575.89032:54 575.93262:37 575.98157:42 958585 1044594 1080944 848 0 1934135 2545643 751220 708475 687154 647689 639674 632133 640329 0 575892 520846 629296 788374 673387 404884 1130222 897258 998243 282.731709798177 2239889.0625 575344.739583333 622214.947916667 1008574.60416667 1028041.04166667 672381.919642857 489.705686281262 432401.718714866 54227.2742669245 196799.771139528 116825.090212094 62836.4624646209 44839.0077254505 403 2.175 577.42346 w/o MS2:FAHFA 18:3/20:5;O [M-H]- ion correlated with 90; ion correlated with 173; ion correlated with 161 0.542 True 8.5 577.42621 C38H58O4 FAHFA PWSZPHXOBSCHFG-UHFFFAOYSA-N O=C(O)CCC(OC(=O)CCCCCCCC=CCC=CCC=CCC)C=CCC=CCC=CCC=CCC=CCC 530 True True False False False null null 66.6 99.8 null null null 37.84 B. cold 2 577.42346:12277 578.42681:5027 579.43017:1089 96.95862:43 130.24251:28 277.21497:372 277.33002:8 280.23788:26 280.98911:6 283.18991:45 299.20724:51 303.1611:30 307.18829:5 401.29935:18 541.35675:70 574.2832:14 574.64758:12 576.25568:25 576.91113:15 577.13629:14 577.29724:96 577.42377:5743 577.54047:35 577.63214:19 577.67529:17 577.73291:21 577.7746:21 577.80957:27 577.8609:12 518 1086 273 0 0 0 0 58234 54852 52464 49918 47437 52406 51478 0 88053 89181 78659 47022 89355 76780 1246 948 1283 0 0 85297.4114583333 71052.0924479167 1159.1181640625 625.630544026693 52398.4715401786 0 0 5776.82628341131 21739.8685130667 183.623187834045 417.31366476721 3456.91259418891 404 2.02 578.31732 Unknown [M-H]- 0.125 False null null null null null null 999 False False False False False null null null null null null null 81.65 P. cold 2 578.31732:4131 579.32067:1185 580.32403:429 31544 31873 32811 0 0 0 0 17348 18437 18297 18301 16814 15328 18414 0 6822 5249 6687 1983 9209 10215 33501 14324 24506 0 0 6252.47981770833 7135.71272786458 24110.5719401042 32075.91015625 17562.5266462054 0 0 871.804407865336 4490.99505650033 9594.66052252302 657.53751096296 1167.23672144026 405 1.81 578.34558 w/o MS2:PS O-8:0_14:1 [M-H]- 0.042 False 6.63 578.34631 C28H54NO9P EtherPS HQVZNDIIWFQQBM-UHFFFAOYSA-N O=C(OC(COCCCCCCCC)COP(=O)(O)OCC(N)C(=O)O)CCCCCCCC=CCCCC 530 True True False False False null null 99.7 99.9 null null null 65.07 P. room temp 1 578.34558:3254 579.34893:1219 580.35229:267 16807 17369 17237 0 0 0 0 11074 10888 9582 10255 10343 9939 10142 0 8021 6568 7037 10666 7380 7512 21969 21149 21396 0 0 7208.68831380208 8519.59716796875 21504.830078125 17137.5748697917 10317.5997488839 0 0 741.521103062254 1860.3778322034 420.825210857503 293.571380268677 519.270248932126 406 6.192 578.51251 w/o MS2:RIKEN N-VS1 ID-2890 from Mouse_Feces_WT_ABX_Ctr [M-H]- 0.042 False 6.32 578.5144 Unknown 530 True True False False False null null 98.2 100 null null null 73.13 IS 2 578.51251:3656 579.51586:1659 580.51922:441 6629 7038 7466 0 0 20446 26837 6608 6444 5733 6031 5778 5872 5923 0 8382 8782 8889 9199 11346 6446 7789 6301 8459 0 23641.4140625 8684.65690104167 8997.1669921875 7516.16145833333 7044.39241536458 6055.82198660714 0 4519.144297786 267.210748781031 2456.31263144646 1104.51380198337 418.351794008821 338.812560935093 407 1.368 579.284 Unknown [M-H]- ion correlated with 463 0.042 False null null null null null null 999 False False False False False null null null null null null null 64.35 B. cold 3 579.284:3217 580.28735:1287 581.29071:367 85 91 83 0 0 0 0 11737 10497 11600 10819 10268 9577 11613 0 25030 17969 18124 19701 25461 28942 1588 243 827 0 0 20374.4407552083 24701.4368489583 886.015747070313 86.1246083577474 10872.9582868304 0 0 4032.96496954735 4667.0216996863 674.281927145165 3.99696277106101 817.882501139685 408 4.065 579.42633 Unknown [M-H]- ion correlated with 370; adduct linked to 370_[M-H2O-H]- 0.292 True null null null null null null 999 False False False False False null null null null null null null 64.26 B. cold 1 579.42688:10778 580.43023:4572 581.43359:1240 45.00232:15 125.02398:30 125.05752:56 125.09769:140 135.0826:96 136.05232:11 137.06165:33 145.05724:16 151.07915:23 153.09282:72 161.10063:20 169.08987:54 175.07765:19 176.08147:29 178.09836:15 179.10573:38 185.1167:139 187.09641:53 189.12914:50 191.11592:14 193.12093:66 197.119:194 199.04622:15 199.0984:239 199.33275:8 201.0831:9 207.10094:16 209.11874:735 209.31406:12 211.12782:40 213.08546:14 215.14336:103 225.1068:74 227.12936:120 229.13371:26 236.05347:33 236.10657:27 243.13483:56 243.16199:30 243.17792:28 248.97234:32 254.11272:10 255.19806:22 255.23259:515 260.47556:24 261.18362:113 261.19577:47 277.1814:17 287.16415:279 288.16064:17 292.19855:39 305.09848:55 305.17545:2623 305.26517:10 305.48849:5 305.51154:16 305.55283:13 305.58521:15 305.79666:6 306.18353:82 307.13351:43 307.15775:36 307.19299:59 309.20807:40 311.21484:7 321.24432:13 323.14224:20 323.18506:409 323.22476:17 325.20154:25 345.26816:59 345.53723:15 357.28052:47 361.30862:29 363.28174:9 373.31125:129 375.27344:21 379.31934:28 391.32501:40 407.31018:22 417.31674:16 423.34418:56 429.33966:24 431.3515:19 437.36047:21 447.34421:163 463.34265:51 463.40204:15 463.80392:8 481.40353:26 491.19507:19 499.41583:30 517.42877:34 525.39343:56 543.33173:43 543.4035:284 543.539:30 544.41742:9 561.4151:204 579.32233:47 0 0 0 0 0 0 0 24060 22081 23122 20767 20945 20229 19903 0 80079 93973 42430 82696 60927 83565 0 0 0 0 0 72160.7408854167 75729.55078125 0 0 21586.5817522321 0 0 26668.5619930428 12826.9056738691 0 0 1553.46768086161 409 4.387 581.44415 Unknown [M-H]- ion correlated with 375; ion correlated with 128; adduct linked to 375_[M-H2O-H]- 0.542 True null null null null null null 999 False False False False False null null null null null null null 198.63 B. room temp 1 581.44183:14353 582.44518:6972 583.44854:1149 34.96703:31 44.99816:114 67.04896:41 102.81845:24 121.06891:32 125.09758:342 127.07745:13 127.11403:56 128.2205:23 139.0762:25 143.07277:25 143.10251:71 143.12692:10 151.1132:21 155.10568:27 171.10448:176 177.12778:43 185.11722:352 186.96001:21 187.09647:63 191.10684:35 199.09695:399 207.10751:14 209.11792:1226 209.15826:28 209.29471:39 209.52972:5 211.00175:13 211.03294:32 211.13329:54 213.11621:71 225.11467:49 227.12813:15 236.10213:7 245.17088:17 245.19254:55 246.19453:22 253.2494:38 255.23187:496 255.4702:6 256.22739:19 257.23688:34 263.20041:69 263.30011:9 265.18741:6 289.17838:295 289.50641:10 297.28317:23 303.18057:37 306.8739:10 306.97684:13 307.19095:4674 307.25537:19 307.29889:13 307.34015:18 307.3765:26 307.40637:17 307.44922:27 307.56696:13 307.63101:14 307.72195:23 307.75781:20 307.89774:28 308.10257:18 308.19449:74 309.20889:34 325.20197:510 325.233:34 325.55136:13 326.20605:85 333.3093:38 337.3074:37 351.90027:5 375.32764:102 377.22519:52 377.30038:39 377.36572:16 378.31281:17 379.31491:34 393.2912:28 393.33649:237 429.33179:41 431.31345:34 447.31464:63 447.34677:105 457.4285:22 463.34283:94 501.42233:65 502.41769:20 503.73523:6 518.26349:38 519.44421:25 545.36639:58 545.41895:962 545.53192:5 545.57239:42 546.09705:15 546.22626:12 546.37006:12 546.42816:28 548.3725:8 560.99005:49 563.39893:12 563.43243:165 564.38379:17 564.43304:8 581.43762:20 581.49597:10 0 0 0 0 0 0 0 48230 43921 39429 38144 40792 36853 38706 0 108162 120624 67222 144240 113984 150742 0 0 0 0 0 98669.4661458333 136322.1171875 0 0 40867.7477678571 0 0 27937.724607828 19616.4331357082 0 0 3953.90293999643 410 2.606 581.45477 w/o MS2:AAHFA 28:6/10:0;O [M-H]- ion correlated with 162; ion correlated with 177 0.542 False 9.55 581.45752 C38H62O4 FAHFA UAACYODTRQJRFV-UHFFFAOYSA-N O=C(OC(C(=O)O)CCCCCCCC)CCCCCCCCC=CCC=CCC=CCC=CCC=CCC=CCC 530 True True False False False null null 96.3 99.8 null null null 187.17 B. room temp 2 581.45477:12258 582.45812:4760 583.46148:1591 3587 3602 3560 0 0 0 0 59951 56467 52267 51695 51445 56605 51666 0 92609 97869 85841 72918 89552 83312 5775 7246 5387 0 0 92106.4348958333 81927.2239583333 6135.85319010417 3582.94116210938 54299.3035714286 0 0 6029.57788451343 8403.43253123187 980.389529306751 20.9943305051427 3365.44045081958 411 3.955 582.36298 w/o MS2:GM3 35:1;2O [M-H]- 0.083 False 8.45 582.35712 C58H106N2O21 GM3 XWCKDGOPIISUSK-UHFFFAOYSA-N O=C(O)C1(OC2C(O)C(OC(CO)C2O)OC3C(O)C(O)C(OCC(NC(=O)CCCCCCCCCCCCCCCCCC)C(O)C=CCCCCCCCCCCC)OC3CO)OC(C(O)C(O)CO)C(N=C(O)C)C(O)C1 530 True True False False False null null 84.2 99.9 null null null 62.37 P. room temp 3 582.36298:3124 583.36633:1565 584.36969:263 18184 17800 18495 0 0 0 0 15355 8325 7989 7559 6473 5786 7448 0 0 260 249 243 319 515 25796 22087 25438 0 0 169.520823160807 358.831339518229 24440.2239583333 18159.828125 8419.12513950893 0 0 146.922016187249 140.314146193472 2046.04005482633 348.180468626415 3180.70784360386 412 3.414 583.39966 Unknown [M-H]- 0.25 False null null null null null null 999 False False False False False null null null null null null null 28.65 B. room temp 2 583.39966:7667 584.40301:3453 585.40637:1920 0 0 0 0 0 0 0 23419 18569 21508 18317 18833 18525 21362 0 53022 62910 45891 43898 43506 49949 0 0 0 0 0 53941.01171875 45784.25390625 0 0 20076.0401785714 0 0 8547.08167701633 3611.74205595537 0 0 2008.05237762271 413 1.225 583.40106 Unknown [2M-H]- ion correlated with 109; adduct linked to 91_[M-H]- 0.542 True null null null null null null 999 False False False False False null null null null null null null 282.21 QC-1 583.40076:44702 584.40411:17997 585.40747:3423 127.11126:28 155.27966:35 165.10344:45 165.12784:69 223.13194:9 247.2086:46 273.08853:40 273.18579:64 274.186:58 287.22214:59 289.14661:62 289.39249:5 289.83368:9 290.18167:29 290.97723:22 291.07117:37 291.10748:219 291.19626:39667 291.39377:37 291.42249:69 291.45496:28 291.53107:33 291.59637:44 291.6315:43 291.66684:45 291.70819:30 291.79666:42 291.82092:43 291.83804:39 291.89282:22 291.91666:23 291.95612:28 291.99448:23 292.03287:27 292.04614:14 292.08481:15 292.11752:21 292.15689:45 292.1994:490 292.22812:32 292.28094:18 292.33838:24 292.35815:11 292.535:7 292.6355:9 292.65421:15 292.68332:8 292.7478:34 292.78912:8 292.99026:11 293.02576:21 293.61163:14 293.73602:5 293.97882:11 294.95135:5 295.55688:15 306.76996:5 357.79913:27 385.19781:34 386.21237:12 519.02594:18 582.99896:25 583.18671:26 583.27014:11 0 0 0 0 0 0 0 377893 251647 250664 231595 218217 220791 208616 0 859400 483876 478776 560578 812064 805999 0 0 0 0 0 607350.541666667 726213.75 0 0 251346.214285714 0 0 218295.690100905 143476.704526965 0 0 58111.538808773 415 2.596 583.41553 Unknown [M-H]- 0.208 False null null null null null null 999 False False False False False null null null null null null null 26.67 B. room temp 2 583.41553:8844 584.41888:4887 585.42224:7020 4590 3594 7310 0 0 0 0 9041 9924 8188 9041 7486 8615 10174 0 42593 63440 31701 21918 34375 27104 9146 14855 6822 0 0 45911.0397135417 27799.1178385417 10274.0416666667 5164.77994791667 8924.24986049107 0 0 16127.8119053372 6257.68118707212 4133.63392255278 1923.09100598545 939.385469824647 416 2.021 583.47675 w/o MS2:AAHFA 28:5/10:0;O [M-H]- ion correlated with 275 0.542 False 10.21 583.47321 C38H64O4 FAHFA MCSHMBADHADCAE-UHFFFAOYSA-N O=C(OC(C(=O)O)CCCCCCCC)CCCCCCCCCCCC=CCC=CCC=CCC=CCC=CCC 530 True True False False False null null 93.9 99.7 null null null 71.09 B. room temp 2 583.47675:4130 584.4801:2217 585.48346:495 2919 2871 3419 0 0 0 0 27930 29016 26257 26112 25848 24194 26004 0 33577 33815 30957 30744 25592 29093 6499 5845 5286 0 0 32783.23046875 28476.3326822917 5876.84912109375 3069.59716796875 26480.0287388393 0 0 1585.9942818547 2630.63243801026 606.990509446059 303.265267113221 1558.31435913409 417 5.685 584.48926 w/o MS2:Cer 16:0;2O/16:1;(3OH) [M+Hac-H]- ion correlated with 330; ion correlated with 386; ion correlated with 400; adduct linked to 330_[M-H]-; similar chromatogram in higher mz_554; similar chromatogram in higher mz_638 0.542 True 8.59 584.48962 C32H63NO4 Cer_BDS URZBARRICAUNMS-UHFFFAOYSA-N O=C(NC(CO)C(O)CCCCCCCCCCCCC)CC(O)CCCCCC=CCCCCCC 530 True True False False False null null 75.5 100 null null null 67.75 B. room temp 2 584.48926:13764 585.49261:6904 586.49597:1295 225.22316:38 239.19746:20 282.24371:35 328.20016:16 457.16962:6 488.30484:22 521.02753:21 521.10626:11 521.16937:6 521.38239:6 521.53229:7 521.76117:21 524.21088:14 524.28998:13 524.34491:143 524.37775:264 524.4682:12140 524.55988:57 524.646:66 524.68756:57 524.73309:43 524.77106:61 524.8197:47 524.85315:30 524.93103:32 524.97046:54 525.01282:14 525.04187:34 525.06561:18 525.11377:17 525.16064:10 525.20813:17 525.26038:20 525.3111:7 525.36652:25 525.40924:69 525.47009:245 525.65173:8 525.6756:10 525.73035:55 525.81018:22 525.95282:10 526.00287:11 526.11133:5 526.28656:8 526.36493:25 526.53766:13 526.70453:11 538.48358:27 541.47491:9 579.67157:15 584.37317:28 584.48975:21 0 0 0 0 0 0 0 46563 35279 37935 38365 38570 36882 38356 0 82543 95629 84765 83788 87743 79335 0 0 0 0 0 87645.8828125 83622.0885416667 0 0 38849.9821428571 0 0 7002.58228606388 4206.13963989647 0 0 3594.09190057969 418 1.151 585.12183 Unknown [M-H]- 0.5 False null null null null null null 999 False False False False False null null null null null null null 104.08 B. room temp 2 585.12183:9222 586.12518:3160 587.12854:3277 0 0 0 0 0 0 0 31132 32418 32069 30172 32599 31040 33514 0 26201 62906 47273 36233 15941 18560 0 0 243 0 0 45459.865234375 23578.0475260417 80.9272969563802 0 31849.1883370536 0 0 18419.6197521166 11037.3864850981 140.170190047665 0 1131.80359474156 419 3.919 585.41644 Unknown [M-H]- ion correlated with 976 0.542 True null null null null null null 999 False False False False False null null null null null null null 118.11 B. room temp 2 585.41644:13948 586.41979:7002 587.42315:4300 59.01151:47 135.0826:32 191.13986:25 197.11514:94 197.19022:14 209.07935:13 209.11664:85 224.09821:21 225.11414:66 227.12543:16 251.17442:25 259.17786:5 261.18436:26 279.21014:39 279.23279:188 287.16431:193 295.11188:75 301.21567:13 303.3183:8 304.96042:8 305.10187:22 305.17484:1208 305.66382:21 305.78494:13 305.89536:11 306.17764:29 322.96823:12 323.09885:26 323.18655:4226 323.24792:39 323.31006:13 323.44675:14 323.47919:12 323.57727:27 323.68295:35 323.71414:5 323.83838:12 324.01239:14 324.52191:17 324.93994:20 325.2016:42 327.36249:19 329.15698:49 331.1925:15 359.31476:32 369.27988:29 381.28168:15 415.27795:30 415.32022:54 426.13574:20 471.3121:13 471.34302:52 525.32678:20 567.26483:10 567.32324:40 567.40649:674 567.55756:13 568.1156:8 568.41217:6 585.2171:49 585.24219:26 585.2796:22 585.33002:56 585.41553:2423 585.51935:16 585.62244:17 585.6684:24 585.7771:12 585.90259:14 0 0 0 0 0 0 0 43406 39055 39424 37292 40858 39585 35842 0 98896 110758 84220 93339 80212 78814 0 523 0 0 0 97957.8385416667 84122.0442708333 174.364888509115 0 39351.7126116071 0 0 13293.5878254093 8012.91376391481 302.008845953869 0 2429.40019894709 421 3.1 585.41699 Unknown [M-H]- ion correlated with 163 0.042 True null null null null null null 999 False False False False False null null null null null null null 120.3 B. room temp 3 585.41699:7392 586.42034:3279 587.4237:719 115.07658:31 137.09392:31 141.06364:11 141.12869:45 165.12782:101 171.05791:13 171.0771:19 180.09669:18 191.14346:111 204.15204:21 209.00415:26 238.11224:51 240.13206:33 245.19073:123 255.18192:121 255.23233:5207 255.34241:23 255.40857:23 255.44244:9 255.47488:10 255.61916:13 255.83121:7 255.93898:8 256.00534:10 256.23758:17 257.96069:11 261.18411:88 271.16919:49 277.21707:371 277.87161:14 281.18359:34 281.24829:783 281.34415:5 281.44269:16 289.18097:1156 289.5463:11 290.16275:15 305.17429:56 307.11502:35 307.13934:102 307.19098:1382 307.28461:10 307.5209:14 307.76938:27 315.19507:5 316.20203:19 325.1398:57 325.20193:422 326.2052:21 331.19186:49 334.20456:31 485.97791:26 487.495:25 489.31244:20 549.39709:53 565.03064:15 567.40546:10 582.09406:16 585.25049:13 585.35223:38 585.4151:113 585.48511:1523 585.55896:34 585.70947:10 585.81848:9 585.88513:24 0 0 0 0 0 0 0 25214 25833 25345 25537 27192 26820 24686 0 65304 73386 56863 55557 56257 53697 0 0 0 0 0 65184.1419270833 55170.47265625 0 0 25803.9246651786 0 0 8262.16199947775 1322.75850456011 0 0 898.243473443585 422 3.012 585.50964 Unknown [M-H]- 0.458 True null null null null null null 999 False False False False False null null null null null null null 184.3 B. room temp 1 585.51001:17002 586.51336:8003 587.51672:39919 187.08241:19 193.06107:35 196.99361:34 231.10568:23 254.3445:10 255.23309:20753 255.33595:11 255.38669:27 255.40367:31 255.4371:37 255.47025:23 255.51222:37 255.53651:17 255.5759:28 255.60077:21 255.62936:26 255.66826:14 255.70244:15 255.73567:6 255.76292:27 255.7964:16 255.8291:16 255.87328:23 255.90092:47 255.92303:30 255.96172:13 256.03833:7 256.11069:18 256.18317:13 256.21548:30 256.23438:221 256.57574:9 256.91901:10 257.35089:13 258.13895:6 291.1662:41 291.19119:27 299.20438:40 303.2337:150 304.24017:25 307.18845:72 309.20184:57 310.21188:11 329.08987:43 353.21704:51 387.29721:12 433.31467:11 493.32718:56 585.31378:15 585.35339:99 585.4162:304 585.46844:47 585.51862:33 1817 1825 11021 0 0 0 0 55726 67668 41750 37166 62172 41309 62045 0 128040 141389 128980 104720 113726 104361 25838 2303 13103 0 0 132803.184895833 107602.364583333 13748.2091471354 4887.88391113281 52547.9720982143 0 0 7450.74511225579 5306.45804913617 11780.9644081251 5311.80468240269 12254.6123779525 423 4.324 586.45111 SL 33:1;O [M-H]- ion correlated with 427 0.542 True 8.4 586.45111 C33H65NO5S SL CUPOMXRQFZETBI-UHFFFAOYSA-N O=C(N(CC(O)CCCCCCCCCCC)CS(=O)(=O)O)CCCCCCCC=CCCCCCCCCC 420 True True True False False null null 96.5 99.9 70.6 72.5 100 66.91 B. room temp 1 586.45081:12873 587.45416:12209 588.45752:4419 40.25087:13 59.01504:12 61.98855:159 80.96311:19 208.08739:53 253.21645:33 254.10913:33 255.20525:18 283.14481:18 291.19806:69 307.15253:24 307.18918:104 313.17712:83 315.14432:25 325.15259:55 325.20206:139 330.17984:52 331.18927:75 333.20819:19 554.12805:20 555.13788:36 569.42035:107 583.14722:19 585.21063:6 585.54449:24 585.99609:32 586.19684:24 586.24115:9 586.31128:83 586.37964:282 586.45105:9215 586.63196:21 586.67383:35 586.73804:47 586.82819:41 586.89075:50 0 0 0 0 0 0 0 42352 41491 40066 41314 40673 39377 39200 0 133853 150743 105481 114122 121849 112868 0 0 0 0 0 130025.658854167 116279.640625 0 0 40638.98828125 0 0 22872.8085983345 4863.96164856397 0 0 1162.42226628783 424 5.959 586.50482 w/o MS2:Cer 12:0;2O/20:0;(2OH) [M+Hac-H]- adduct linked to 332_[M-H]- 0.542 True 8.97 586.50519 C32H65NO4 Cer_ADS UXHBBVITAZTBRV-UHFFFAOYSA-N O=C(NC(CO)C(O)CCCCCCCCC)C(O)CCCCCCCCCCCCCCCCCC 530 True True False False False null null 100 100 null null null 58.28 B. cold 1 586.50482:8346 587.50817:4557 588.51153:984 61.9862:206 62.07139:20 308.15683:31 415.02289:61 525.56226:42 526.19983:6 526.30719:40 526.35004:59 526.39966:128 526.4834:5660 526.65594:28 526.67407:40 526.73547:70 526.79028:71 526.83862:28 526.88605:9 526.96533:8 527.03674:12 527.09229:22 527.21838:12 527.35364:26 527.3938:9 527.43341:37 527.48407:103 527.5603:29 527.63977:11 527.71124:20 527.94019:11 528.02087:20 528.08435:16 528.36224:21 529.68158:12 529.74835:18 540.4881:20 586.20258:19 586.45245:73 586.49561:79 3978 4054 4301 0 0 0 0 26762 22503 22421 22381 22736 23308 25323 0 48918 58275 46520 58186 57206 49496 3021 3104 3026 0 0 51237.7604166667 54962.60546875 3050.32340494792 4111.01424153646 23633.5457589286 0 0 6211.2911557041 4759.10581075539 46.15998032122 169.0232714493 1725.52537264606 425 2.319 587.40582 LPC 18:1(d7) [M+CH3COO]- adduct linked to 391_[M+FA-H]- 0.875 True 6.27 587.40594 C26H45D7NO7P LPC YAMUFBLWGFFICM-HNNXNMBSNA-N C(COP(=O)([O-])OCC[N+](C)(C)C)([H])(O)COC(CCCCCCC/C=C\CCCCCC([2H])([2H])C([2H])([2H])C([2H])([2H])[2H])=O 430 True True True True False null null 92.2 99.9 71.6 75.4 100 29.58 QC-1 587.40558:16704 588.40893:5723 589.41229:1187 59.01348:445 78.95808:40 168.04008:38 186.11406:22 214.56068:16 224.06825:174 235.13574:22 242.06903:25 254.22273:31 255.19595:25 255.23196:73 287.28696:58 287.62137:15 288.22971:45 288.25961:193 288.29156:2607 288.36954:5 288.44443:19 288.53595:42 288.62985:5 288.67026:29 288.71793:20 288.73553:20 288.81775:13 288.92932:6 289.13495:9 399.30228:68 442.96103:38 510.36288:13 512.82477:24 513.23486:69 513.36847:7886 513.48816:37 513.53711:8 513.56842:24 513.6391:26 513.74072:8 513.78772:21 513.86603:34 513.91779:28 513.99921:11 514.06885:27 514.13428:41 514.21136:11 514.27899:17 514.34442:51 514.36993:96 514.47717:11 514.5788:11 514.6181:35 514.82208:12 514.88464:17 514.96832:11 515.09656:17 522.08411:8 527.34985:31 528.34003:13 587.39392:32 184316 188061 192086 0 0 183111 265527 137927 140529 137207 132013 136374 134159 129002 0 135953 118917 150684 136262 144940 97021 191032 165743 193564 0 224318.578125 135184.4296875 126074.200520833 183446.359375 188154.041666667 135315.860491071 0 58276.8461870098 15897.1403338119 25532.4502217797 15383.8086977851 3885.79088530001 3890.10913924572 426 3.59 587.43225 Unknown [M-H]- 0.542 True null null null null null null 999 True False False False True null null null null null null null 23.74 B. cold 1 587.43225:21017 588.4356:10531 589.43896:2196 61.98718:36 69.07408:17 129.09468:44 141.05464:79 153.09142:24 171.10143:72 185.11763:29 191.14436:36 227.14171:9 231.10231:15 237.14809:18 245.19165:37 255.20392:62 255.23244:625 255.65657:8 279.1749:13 279.21072:71 279.23364:407 282.23157:11 288.17203:12 289.18137:1476 289.42865:5 289.82855:25 290.2287:17 291.20081:8 306.15894:15 307.19141:7724 307.24161:47 307.30182:35 307.34531:43 307.38159:34 307.40723:25 307.45157:27 307.47827:12 307.50851:25 307.54205:7 307.58749:6 307.62921:20 307.67502:14 307.70865:19 307.75113:6 307.89798:22 308.00577:10 308.03714:28 308.19818:60 308.23462:7 308.30307:18 308.39401:15 308.45471:10 308.94662:8 309.20267:46 309.2319:8 319.26514:26 324.06183:19 325.13727:59 325.2012:1623 325.30084:8 326.18042:43 326.203:24 326.63589:20 327.21069:27 335.16534:39 359.29456:46 392.26273:12 415.31961:47 444.20526:41 477.15912:26 551.40637:110 568.97131:11 569.3327:28 569.36835:60 569.41925:241 569.45068:25 569.65601:20 569.71368:18 569.77142:15 570.21039:6 570.42322:29 587.27423:14 587.43005:2026 587.50873:53 587.55621:10 587.62653:6 587.69275:8 587.73486:17 587.79651:27 587.86456:7 0 0 0 0 0 0 0 53102 53737 49982 49429 50248 49624 50371 0 154477 154205 124605 159321 108409 110874 0 0 0 0 0 144428.817708333 126201.200520833 0 0 50927.6456473214 0 0 17168.6592672021 28708.6532409091 0 0 1743.17341086825 427 4.269 587.43353 Unknown [M-H]- ion correlated with 423 0.5 True null null null null null null 999 True False False False True null null null null null null null 22.26 B. cold 1 587.43353:14126 588.43688:5873 589.44024:2397 59.01249:31 61.98963:96 98.41019:26 115.03931:55 125.09726:131 152.04715:27 153.12978:11 161.09856:40 164.07994:23 166.96463:28 177.04424:33 185.12073:13 186.241:22 187.09715:51 197.11914:12 209.11903:292 209.62886:19 215.13782:18 255.19324:58 255.23196:1064 256.04379:17 259.17554:30 261.18466:44 269.17377:51 269.19104:61 276.13455:26 276.67456:31 279.23434:263 280.23795:14 287.20221:39 289.16962:23 289.18188:90 293.27396:13 303.23883:27 305.17429:61 305.81418:24 306.94522:26 307.12079:23 307.19104:3139 307.25134:11 307.33884:7 307.48419:12 307.53107:25 307.56906:22 307.61148:19 307.6423:20 307.70242:11 307.75653:9 307.99341:21 308.19379:57 325.10742:35 325.15512:23 325.20108:1619 325.71506:6 325.74631:12 326.35056:5 331.18918:142 331.2796:13 332.19846:55 332.81595:20 333.18167:8 349.20096:30 350.23486:17 352.89767:7 361.30853:8 364.96274:18 387.30948:17 397.58401:21 399.3252:62 401.3009:8 417.33926:168 426.14905:16 457.3298:20 471.34729:55 525.422:53 543.43219:31 551.4046:39 569.35522:47 569.42004:721 569.69342:5 570.05853:7 570.24951:14 570.41589:5 586.45233:81 587.45074:1584 587.57776:18 587.61115:9 587.72607:20 587.79303:21 587.91034:18 0 0 0 0 0 0 0 64852 66140 62017 60810 63217 59367 60496 0 139376 141084 117368 157755 122596 132360 0 510 0 0 0 132609.1875 137570.372395833 170.017923990885 0 62414.0256696429 0 0 13227.0518820329 18149.3642975665 294.479682549597 0 2455.21952382797 428 5.693 587.46411 w/o MS2:SE 24:1;O4/13:0 [M+Hac-H]- adduct linked to 392_[M+FA-H]- 0.458 True 9.05 587.46808 C37H64O5 DCAE IMZCAVAAKKQLFX-UHFFFAOYSA-N O=C(O)CCC(C)C1CCC2C3CCC4CC(OC(=O)CCCCCCCCCCCC)CCC4(C)C3CC(O)C12C 530 True True False False False null null 94.5 99.9 null null null 29.59 B. room temp 3 587.46411:16292 588.46746:6165 589.47082:1581 59.01446:14 61.98813:7452 62.02533:23 62.06436:19 62.14978:9 62.16852:16 62.19417:20 62.21325:17 63.01437:9 248.84694:40 255.19896:27 255.23283:226 293.21527:28 293.26855:10 309.17151:31 309.20798:16 325.20172:24 475.24747:24 525.39771:26 525.46906:54 526.47699:22 527.34003:29 527.42639:22 527.4765:170 527.5174:9 534.91321:8 543.44214:16 549.38696:30 569.45038:45 573.4483:25 574.45819:11 576.44769:27 587.30072:13 587.37524:60 587.46216:645 0 273 869 0 0 0 0 58690 58235 56840 54525 55999 55797 53456 0 23087 28018 123736 74540 59062 92618 0 0 0 0 0 58280.27734375 75406.9140625 0 380.699737548828 56220.1077008929 0 0 56739.9698952969 16794.723193246 0 444.629223044483 1883.61971583327 431 6.533 588.54834 Unknown [M+Hac-H]- adduct linked to 396_[M+FA-H]- 0.875 True null null null null null null 999 False False False False False null null null null null null null 198.07 P. cold 2 588.54449:19098 589.54784:452803 590.5512:163946 59.01361:985 60.25248:8 223.20795:19 240.22948:70 243.25723:76 257.4548:9 266.24802:178 282.20499:14 282.22778:36 311.2565:56 388.65881:9 480.49774:28 498.14606:20 520.17102:6 527.9549:32 528.23279:41 528.52313:7458 528.64581:32 528.68506:31 528.76337:30 528.80841:24 528.83655:26 528.91656:29 528.97034:21 528.99365:36 529.03461:30 529.05847:49 529.14771:32 529.20215:23 529.25006:6 529.30499:33 529.33942:16 529.38495:52 529.41449:36 529.5293:4309 529.6076:32 529.63861:21 529.67932:16 529.71924:31 529.76666:37 529.83484:30 529.92914:26 529.97662:17 530.04547:23 530.07343:24 530.15717:24 530.29956:12 530.4032:16 530.98053:6 531.03198:5 531.27087:10 531.47797:6 532.48218:17 533.60706:13 550.70349:22 588.50525:74 588.54468:653 588.60223:18 588.95441:14 588.99634:8 127742 139904 152397 0 0 174300 263694 83453 78732 77509 77695 79425 78297 75595 0 79304 78047 87644 121865 110889 60736 155135 118893 136487 0 218997.265625 81664.7682291667 97830.0989583333 136838.2109375 140014.611979167 78672.2879464286 0 63210.7721410865 5216.25254872882 32589.9714673932 18123.2419806642 12327.7256588381 2427.04825544982 432 4.13 589.44556 w/o MS2:SE 24:1;O4/12:0;1O [M-H]- ion correlated with 370 0.042 False 8.38 589.44739 C36H62O6 DCAE OSTUNWHQWSKBPN-UHFFFAOYSA-N O=C(O)CCC(C)C1CCC2C3CCC4CC(OC(=O)CCCCCC(O)CCCCC)CCC4(C)C3CC(O)C12C 530 True True False False False null null 98.3 99.9 null null null 9.39 B. cold 1 589.44556:6936 590.44891:2716 591.45227:807 0 0 509 0 0 0 0 22674 22355 24059 23316 22177 22465 23683 0 53988 54651 49972 63078 46162 44746 0 0 245 0 0 52870.1940104167 51328.8502604167 81.729746500651 169.752309163411 22961.2667410714 0 0 2531.90590249812 10199.7430810102 141.560073428852 294.019624173169 726.396301854218 433 3.899 589.44763 Unknown [M-H]- 0.542 True null null null null null null 999 True False False False True null null null null null null null 129.22 B. cold 1 589.44763:22877 590.45098:9172 591.45434:2473 62.4068:13 81.03426:40 129.01939:33 131.53914:43 155.10793:122 156.16805:10 171.10411:68 179.05452:42 192.08167:34 209.41287:21 255.13087:29 255.23541:31 265.20483:57 279.21268:85 279.23291:522 279.44748:15 279.76965:18 281.24414:13 283.2598:80 291.1734:116 291.19531:859 291.40408:11 292.12119:28 292.47549:15 306.37039:79 307.68274:7 307.80984:9 308.19357:59 309.09244:9 309.20657:8249 309.29858:51 309.32901:27 309.37762:15 309.42017:19 309.45056:31 309.47345:30 309.51703:19 309.5296:34 309.57822:15 309.63297:31 309.68771:19 309.73779:22 309.78439:17 309.85797:18 309.90662:20 309.94919:10 310.05243:19 310.20862:109 310.35477:5 310.74664:30 320.36682:8 325.20093:14 327.12299:16 327.18021:51 327.21683:1578 327.39801:10 327.43381:16 327.59811:10 327.96097:9 335.22006:37 359.48758:52 417.34372:48 548.98907:39 553.43127:15 571.43372:130 588.56409:7 589.31879:42 589.37299:87 589.4458:2489 589.51611:447 589.6593:11 589.70477:38 589.76514:26 589.83057:13 589.93134:31 283 0 0 0 0 0 0 55287 53200 55251 48414 49797 54201 50335 0 130373 134818 111391 162849 112554 112367 0 521 0 0 0 125527.458333333 129256.619791667 173.534545898438 94.3512573242188 52355.09765625 0 0 12442.507696891 29091.7060386551 300.570650364487 163.421171443552 2806.67036315451 434 4.473 589.44775 w/o MS2:SE 24:1;O4/12:0;1O [M-H]- ion correlated with 369; similar chromatogram in higher mz_442 0.542 True 8.38 589.44739 C36H62O6 DCAE OSTUNWHQWSKBPN-UHFFFAOYSA-N O=C(O)CCC(C)C1CCC2C3CCC4CC(OC(=O)CCCCCC(O)CCCCC)CCC4(C)C3CC(O)C12C 530 True True False False False null null 74.3 99.9 null null null 79.16 QC-1 589.44684:10484 590.45019:5550 591.45355:6276 67.05444:95 93.07162:34 113.09821:47 167.10991:41 177.12823:39 190.13785:34 195.10156:70 217.16998:13 221.15497:49 235.16762:46 255.1823:24 255.23067:54 255.32472:9 269.18555:21 270.02597:10 271.2067:285 271.51495:8 271.64474:13 272.06183:20 275.49716:11 289.21716:236 305.17303:13 307.18344:25 315.11761:24 315.14792:44 315.19598:1295 315.28937:12 315.33847:20 315.35681:13 315.71286:12 316.00781:19 316.19849:68 324.18652:32 325.20221:126 333.14438:9 333.20694:2622 333.30023:13 333.44717:9 333.49448:12 333.54813:12 333.6207:7 333.65161:17 333.80377:6 333.95218:13 334.20959:56 334.23004:8 334.86209:7 351.16568:56 351.21805:196 373.29495:47 393.3313:25 571.37317:33 571.43103:44 571.9411:7 583.88824:33 589.40979:79 589.44543:1056 589.56:5 589.62347:6 589.67206:19 589.7644:9 589.8819:23 0 244 0 0 0 0 0 74969 74349 75721 70461 72033 74166 72364 0 160542 156099 129120 225665 171846 173839 0 0 0 0 0 148587.028645833 190450.140625 0 81.2953745524089 73437.6830357143 0 0 17004.7370770031 30513.2325970109 0 140.807719145114 1866.82115517804 435 4.714 589.44794 Unknown [M-H]- 0.542 True null null null null null null 999 True False False False True null null null null null null null 44.51 B. cold 1 589.44794:20224 590.45129:8738 591.45465:1974 57.03546:18 59.01351:129 109.06545:10 121.03025:50 136.05283:16 149.09447:58 153.09146:48 155.06409:22 163.07362:68 165.09196:65 167.14507:114 169.1647:16 169.17786:12 181.08527:12 183.104:41 207.13963:86 208.11053:21 223.09093:19 235.17232:28 243.15797:46 243.17433:75 255.23172:269 261.18353:17 261.72443:6 271.12811:60 271.17865:212 271.20657:675 271.29956:9 271.8389:10 273.18509:17 279.27258:38 287.19882:40 289.01089:40 289.21707:1164 289.49872:23 289.681:8 290.26352:15 295.19449:12 305.16165:48 307.18839:36 315.19656:830 315.38675:8 315.74277:13 331.39252:6 332.22342:13 332.66418:6 332.80408:5 333.12451:89 333.2066:7083 333.29599:16 333.37634:19 333.42139:24 333.45993:51 333.48502:48 333.54721:20 333.6167:21 333.72864:10 333.79303:12 333.81848:9 333.8718:22 333.90079:21 334.10916:19 334.21027:93 334.29236:10 334.51987:5 351.21674:530 351.2569:14 351.74289:11 352.19717:53 553.42133:14 571.42902:49 588.47968:7 589.29547:37 589.34314:43 589.37793:51 589.44452:1365 589.6286:9 589.68829:26 589.76709:10 589.83002:25 0 0 0 0 0 0 0 44649 41129 42639 42227 43062 42467 40711 0 95944 91533 77297 194854 147718 152464 0 0 0 0 0 88257.9895833333 165012.104166667 0 0 42412.1607142857 0 0 9745.27785004579 25952.6160231564 0 0 1294.47708574503 436 5.965 589.47937 Unknown [M-H]- 0.542 False null null null null null null 999 False False False False False null null null null null null null 27.26 B. room temp 3 589.47937:7967 590.48272:3066 591.48608:592 4085 3780 4614 0 0 0 0 30008 28517 26430 30168 28107 28238 28544 0 36864 38854 59186 56519 48432 54339 3205 3154 3749 0 0 44968.1536458333 53096.58203125 3369.23901367188 4159.86295572917 28573.0876116071 0 0 12352.9902513854 4184.2183500776 329.511477432583 421.811458821306 1260.0737997374 437 7.208 589.48352 Unknown [M-H]- 0.083 False null null null null null null 999 False False False False False null null null null null null null 65.22 B. room temp 2 589.48352:3342 590.48687:2180 591.49023:660 0 671 283 0 0 0 0 5653 5723 6156 6425 5689 5920 5354 0 19037 20179 17692 10780 11379 10785 850 282 311 0 0 18969.6002604167 10981.2799479167 480.976582845052 318.185607910156 5845.744140625 0 0 1244.96850756043 344.66383946896 320.231305225879 336.950174133664 355.087773472597 438 6.532 589.55597 Unknown [M+Hac-H]- adduct linked to 334_[M-H]- 0.875 True null null null null null null 999 False False False False False null null null null null null null 4753.57 P. cold 1 589.55542:313427 590.55877:139503 591.56213:29451 35.03431:77 42.03473:42 57.97543:63 59.01394:9642 59.03809:50 59.04958:17 59.07309:12 59.08905:18 59.11512:12 59.13954:14 59.17488:21 59.18383:12 59.19533:17 59.23241:32 59.24271:28 59.25917:6 59.30705:33 59.33103:10 59.4884:8 59.49881:28 60.01727:44 70.84701:19 95.21409:5 118.02253:38 122.6742:28 127.68434:41 223.20734:164 235.47446:11 239.22481:22 240.23428:147 240.29614:6 240.35114:19 241.21617:113 244.26701:242 244.46133:12 247.26454:33 255.2314:26 257.92691:19 266.17163:19 266.2496:951 266.44885:10 267.09131:5 269.29279:20 270.28012:251 275.30774:68 282.24274:70 283.23624:10 284.26068:10 288.28995:86 305.45145:12 314.79172:8 477.81519:38 481.50842:185 497.48572:16 497.50827:111 499.52142:339 500.34949:14 500.45233:9 506.36502:19 520.49719:25 525.85583:11 525.98297:10 526.0697:24 526.25195:39 526.38202:25 526.43066:27 526.48993:11 526.52887:25 526.58496:22 526.62469:29 526.6485:19 526.73572:17 526.76746:42 526.85474:30 526.97351:5 527.02917:27 527.11298:15 527.14026:14 527.28467:13 527.37036:15 527.56091:16 527.68781:32 528.06104:17 528.3548:9 528.40118:11 528.4342:10 528.48309:69 528.52582:134 528.59247:16 528.67273:21 528.75195:17 528.82349:26 528.93286:22 529.04602:45 529.07788:36 529.12671:79 529.18396:33 529.27979:75 529.34009:74 529.53339:161370 530.21582:111 530.25635:127 530.35675:112 530.42706:59 530.53516:2100 530.61108:107 530.65393:62 530.71838:54 530.77106:40 530.82721:72 530.90643:13 530.95435:150 531.0188:36 531.06097:52 531.18237:23 531.22534:33 531.26855:28 531.3161:34 531.36371:46 531.38574:51 531.45697:33 531.5639:40 531.62408:24 531.65521:22 531.71185:24 531.74341:32 531.79156:37 531.84833:13 531.88153:8 531.935:37 532.01428:45 532.07751:14 532.11829:35 532.15106:33 532.22192:36 532.33356:27 532.37451:15 532.41614:24 532.50098:29 532.5249:13 532.55682:24 532.59686:49 532.68439:19 532.71631:24 532.82001:17 532.85419:8 532.90771:21 532.98749:25 533.0274:16 533.10468:6 533.19495:15 533.26337:24 533.28668:6 533.39441:31 533.77887:5 533.89984:11 533.92145:12 534.56818:12 534.90411:25 535.38336:10 535.57532:6 535.85791:12 536.29523:14 536.43127:13 538.40991:5 540.06281:15 540.76837:5 541.62982:5 542.20599:14 543.31183:38 546.17487:15 546.76453:21 546.92773:16 550.86865:19 553.45068:5 553.51135:14 554.96375:8 575.51727:20 585.82764:8 586.04291:16 586.1687:6 586.26044:9 586.28552:11 588.08923:8 588.53833:22 588.88208:16 589.39661:102 589.55365:14161 589.64801:98 589.68787:57 589.72955:45 589.75446:68 589.83063:62 589.89313:19 589.93359:22 590.03253:15 2427258 2659709 2816767 923 0 3166030 4583662 1647540 1560348 1571370 1592203 1582492 1568087 1567180 502 1641284 1574002 1730518 2311302 2112790 1253689 2943807 2327707 2582125 474.957214355469 3874845.75 1648601.125 1892593.41666667 2617879.75 2634578 1584174.32142857 462.095998098654 1002417.55398044 78513.8610665539 562139.589939319 309602.456584549 195966.661777743 29893.5042701812 439 4.017 590.44727 SL 32:0;2O [M-H]- 0.542 True 8.02 590.44598 C32H65NO6S SL CVVCTAVJYFZIPR-UHFFFAOYSA-N O=C(N(CC(O)CCCCCCCCCCCCCC)CS(=O)(=O)O)C(O)CCCCCCCCCCCCC 420 True True True False False null null 100 99.9 88 33.6 100 625.95 P. room temp 2 590.44647:41079 591.44982:16405 592.45318:3669 79.95837:96 80.96008:31 89.67503:22 94.9782:22 101.00101:19 124.39476:53 139.99754:40 176.38284:28 186.03352:37 211.18745:21 211.20755:24 284.38303:11 306.84869:35 317.21808:15 333.21207:72 335.37357:28 350.21515:47 350.2388:58 399.34506:27 467.04904:30 525.73792:28 586.57007:17 586.89648:26 587.01404:25 589.6947:10 590.05664:13 590.09857:22 590.24176:55 590.28802:69 590.4455:26909 590.71729:24 590.80865:86 590.89545:30 590.93677:48 346870 354483 381232 0 0 0 0 141840 139965 151475 136089 152691 149059 154303 0 5429 6865 3319 3904 4932 6243 388514 301573 412758 0 0 5204.54028320313 5026.55533854167 367615.114583333 360861.822916667 146489 0 0 1783.62869408082 1172.1916480343 58464.9987205998 18047.4622286856 7110.20001822408 440 2.008 591.26105 Unknown [M-H]- 0.542 True null null null null null null 999 True False False False True null null null null null null null 266.8 B. cold 3 591.26129:16253 592.26464:5384 593.268:1260 141.09145:31 251.20155:107 301.21747:187 302.21738:32 325.20093:44 331.13504:46 429.20755:27 443.22235:32 445.20325:25 447.25449:47 471.21582:219 471.25513:76 471.67206:5 472.22684:28 485.20084:17 487.24066:29 487.3295:28 497.2327:153 500.22198:245 515.14301:45 515.24554:8663 515.34009:33 515.38599:21 515.40186:33 515.49121:22 515.54974:20 515.61536:24 515.64343:6 515.67645:33 515.73138:19 515.77063:19 515.82721:19 515.89618:30 515.93542:51 515.98254:20 516.01404:17 516.15509:26 516.18036:18 516.24792:191 516.32959:6 516.50073:6 516.72064:14 516.77557:25 516.94843:10 517.63727:5 517.69507:25 518.17871:12 518.2298:64 518.49731:19 519.20569:14 519.38678:29 531.19769:17 531.24243:36 547.27112:37 559.14819:33 559.20282:132 559.23523:604 560.2428:33 560.39893:20 560.49707:5 591.26508:99 591.38116:68 6127 5266 3564 0 0 0 0 94572 83394 89280 84151 85015 79002 83542 0 178982 166643 154877 222077 179780 161101 3649 2062 4099 0 0 166834.03125 187652.645833333 3269.97330729167 4985.88264973958 85565.1294642857 0 0 12053.2847827654 31240.7659808096 1069.94815357105 1304.29397710718 4984.91575776327 441 2.052 591.38171 w/o MS2:CL 12:0_12:0_12:0_16:0 [M-H]- ion correlated with 341 0.042 False 11.75 591.38489 C61H118O17P2 CL KDBSACFNFPQDJA-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCCCCCC)COP(=O)(O)OCC(O)COP(=O)(O)OCC(OC(=O)CCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCC)CCCCCCCCCCC 530 True True False False False null null 95.1 99.5 null null null 76.03 B. room temp 2 591.38171:3801 592.38506:1823 593.38842:724 0 0 0 0 0 0 0 3123 3252 3018 2511 3071 4387 2393 0 10111 24913 11892 10334 8783 6954 0 0 0 0 0 15638.8131510417 8690.34375 0 0 3107.84584263393 0 0 8080.89544293681 1692.12092245005 0 0 649.953674997792 442 4.477 591.46185 w/o MS2:RIKEN N-VS1 ID-3007 from Mouse_AdrenalGlands_WT_N_Ctr [M-H]- 0.542 False 4.23 591.46143 Unknown 530 True True False False False null null 99.9 100 null null null 120.3 B. cold 1 591.46185:11616 592.4652:4210 593.46856:1358 0 0 0 0 0 0 0 34829 31062 28664 29121 27949 29651 29104 0 61845 68683 66293 86658 59766 58995 0 0 0 0 0 65606.921875 68472.8828125 0 0 30054.43359375 0 0 3470.02485473702 15753.2102641768 0 0 2313.52314627343 443 6.539 592.53046 Unknown [M-H]- 0.875 True null null null null null null 999 False False False False False null null null null null null null 1100.95 QC-2 592.52295:47767 593.5263:20462 594.52966:2940 59.01261:93 59.18517:6 61.98836:23129 62.03966:44 62.06099:37 62.08011:38 62.09092:12 62.11668:14 62.13448:35 62.15354:21 62.16717:37 62.21349:9 62.23802:18 62.24461:11 62.25611:54 62.2871:13 62.3171:34 62.34165:29 62.35257:18 62.36621:7 62.38784:11 62.41433:9 62.50546:17 62.53278:22 62.55464:19 62.62141:17 62.64486:27 62.968:9 63.01736:12 63.24799:37 112.97753:20 132.71999:7 391.28641:19 409.19656:23 530.49707:25 530.53027:142 531.53735:189 532.20154:11 532.44867:10 532.49677:65 532.54309:597 532.76764:6 532.89532:5 533.50165:30 533.98865:10 565.50977:39 567.51648:28 576.54944:10 589.55292:80 590.37109:39 590.56384:93 592.43817:31 592.47894:35 592.52802:420 592.69043:14 592.84204:26 593.00189:27 519557 558585 574934 2356 275 759607 803879 428432 404307 390304 410187 403660 403427 404505 1207 473903 481201 465642 585115 595534 409237 583116 464291 517831 1279.21728515625 781742.875 473582.270833333 529961.989583333 521746.072916667 551025.604166667 406403.25 1042.4691575826 31305.4733584291 7784.50174966644 104680.484831514 59509.1953234725 28451.8900307451 11424.8015124962 444 2.173 593.39783 w/o MS2:SM 12:1;2O/10:0 [M-H]- ion correlated with 176 0.542 True 6.11 593.39362 C27H55N2O6P SM LSZRJOHZECMCDC-UHFFFAOYSA-N O=C(NC(COP(=O)([O-])OCC[N+](C)(C)C)C(O)C=CCCCCCCC)CCCCCCCCC 530 True True False False False null null 93.9 99.9 null null null 92.68 B. room temp 2 593.39783:11874 594.40118:4827 595.40454:1324 233.21153:40 236.1069:9 275.19461:32 277.12915:39 277.15164:136 277.21707:8250 277.31345:24 277.35938:32 277.40305:8 277.45773:17 277.48645:44 277.50955:14 277.5524:9 277.61316:33 277.70529:18 277.73407:36 277.74719:9 277.80319:6 277.88931:21 277.94144:11 278.01633:7 278.07108:13 278.09698:8 278.16614:20 278.70236:8 280.8504:5 302.21863:30 309.65833:16 315.21024:42 323.18475:14 517.17816:40 517.25183:62 533.12946:24 590.79144:32 593.33362:34 593.36346:102 593.39636:924 224 0 0 0 0 0 0 23632 22528 20375 21394 21387 23442 21522 0 35221 88248 53069 36111 29545 27413 0 1468 0 0 0 58845.8502604167 31022.5807291667 489.479614257813 74.7719573974609 22039.9598214286 0 0 26981.4023051507 4533.39794638733 847.803561163747 129.508829193778 1198.67159519635 445 4.569 595.43793 w/o MS2:NAGlySer 14:0;O(FA 14:1) [M-H]- 0.542 True 7.92 595.4328 C33H60N2O7 NAGlySer BGCLFGDHHZUKAT-UHFFFAOYSA-N O=C(OC(CCCCCC)CCCCCCC(=O)NCC(=O)NC(C(=O)O)CO)CCCCCCCC=CCCCC 530 True True False False False null null 64.5 99.9 null null null 907.98 B. room temp 2 595.43793:83365 596.44128:46187 597.44464:7698 59.01493:38 69.31135:50 73.03069:28 93.0521:19 107.08787:9 121.10294:38 125.05888:50 127.1193:7 129.09433:38 137.05373:28 151.11368:45 151.52669:11 153.12595:42 163.06984:11 165.12831:103 165.6525:24 166.61568:16 173.09459:23 177.07692:58 177.16431:67 179.14336:35 181.12317:125 191.14471:68 193.1613:14 195.10173:62 197.08548:41 204.16634:10 207.1384:77 207.46115:7 215.1283:25 217.19598:47 219.13393:13 223.13333:123 225.11417:27 225.15643:21 228.13625:131 231.19473:37 237.22308:17 241.14555:17 247.20638:450 259.2442:397 259.97412:11 260.24719:57 263.21713:19 265.21921:41 273.1824:55 273.22253:120 275.23474:6 275.89996:24 277.21658:161 281.21432:20 281.55338:31 289.14716:30 289.17786:24 289.27057:6 291.12039:13 291.1962:5384 291.2699:19 291.28986:21 291.31348:6 291.4429:10 291.50516:16 291.52582:36 291.62738:15 291.66141:18 291.70282:28 291.75006:26 291.83902:6 291.87991:23 291.89172:34 291.99802:22 292.18109:35 292.19977:60 292.45874:11 292.52539:9 293.87277:5 301.21588:38 302.96356:13 303.23285:6118 303.32446:19 303.36063:14 303.42581:15 303.51712:21 303.54175:25 303.62448:5 303.72168:21 303.75784:18 303.85849:9 303.97482:7 304.03864:21 304.06519:11 304.16763:33 304.23392:48 304.46902:7 304.73438:11 305.38611:8 305.50092:14 307.15195:19 307.19116:65 307.30127:5 307.53802:23 307.59421:26 307.75089:21 307.87302:30 308.0372:12 308.32227:7 308.89743:22 309.05646:18 309.13742:253 309.20755:33273 309.41086:21 309.45871:11 309.49991:46 309.56506:27 309.65164:14 309.71619:51 309.80408:26 309.84665:28 309.92062:16 309.944:10 309.99265:35 310.04999:24 310.09045:18 310.13159:10 310.18127:25 310.21234:204 310.26648:23 310.29691:14 310.38211:5 310.49158:8 310.52216:56 310.66827:18 310.7475:5 310.80359:13 310.91199:21 310.95428:7 311.02167:19 311.05823:6 311.14966:22 311.17441:7 311.2229:71 311.24124:19 311.40723:8 312.18021:6 315.11563:9 315.18546:20 317.17813:11 317.21143:237 317.71799:28 317.75668:9 318.11847:11 319.27817:17 321.20792:26 329.22086:44 331.1925:12 333.20825:110 333.79477:10 335.14594:36 335.2226:702 336.21722:29 343.22311:67 347.13232:13 371.35049:27 372.16064:13 373.23492:42 375.25369:50 383.29526:8 401.26599:11 455.35822:66 467.30444:18 467.42056:27 469.36539:17 481.36606:21 485.32016:15 485.36313:206 531.013:68 533.4342:391 534.43488:25 545.42841:25 559.4054:81 577.15369:13 577.29065:16 577.3913:220 577.42493:2165 577.49518:17 577.77643:12 577.8429:15 577.87616:12 577.95142:6 578.4328:22 578.49097:29 578.64886:11 578.83954:14 579.55353:6 595.31543:79 595.43628:632 595.49359:27 595.55682:20 0 0 0 0 0 0 0 338577 315855 318825 298848 298545 296034 304057 0 858394 949942 678680 719981 734200 742100 0 0 0 0 0 829005.395833333 732093.833333333 0 0 310105.870535714 0 0 137998.204112442 11209.0037421676 0 0 15355.2303913857 448 2.597 597.42816 Unknown [M+FA-H]- adduct linked to 488_[M-H]- 0.167 False null null null null null null 999 False False False False False null null null null null null null 94.87 B. room temp 2 597.42816:7077 598.43151:2839 599.43487:1194 246 0 234 0 0 0 0 16745 15981 15197 15621 15439 16929 16778 0 26813 55424 34721 34089 21452 20806 1009 4587 1915 0 0 38985.8138020833 25448.7897135417 2503.66408284505 159.978586832682 16098.7632533482 0 0 14774.9443889119 7489.2569811498 1860.17878564376 138.691972720311 714.045791070073 449 5.173 597.45245 w/o MS2:NAGlySer 12:0;O(FA 16:0) [M-H]- 0.333 True 7.98 597.44843 C33H62N2O7 NAGlySer NFUSADWMAPNLQJ-UHFFFAOYSA-N O=C(OC(CCCCC)CCCCCC(=O)NCC(=O)NC(C(=O)O)CO)CCCCCCCCCCCCCCC 530 True True False False False null null 76.3 100 null null null 179.34 B. cold 3 597.45245:19097 598.4558:7678 599.45916:2342 73.02783:23 127.11337:66 133.10156:16 161.10062:11 193.1606:45 195.1376:15 219.14996:47 255.23183:72 273.2226:382 273.91235:8 279.17993:85 279.23175:658 280.23196:15 299.20294:22 303.23315:61 305.24796:35 309.20721:30 311.22168:18 317.14426:28 317.21204:2260 317.27969:10 317.32892:7 317.34738:50 317.40192:9 317.8277:11 318.15427:8 318.82645:25 335.17032:14 335.2218:3917 335.27341:12 335.31036:10 335.54468:6 335.59515:19 335.69778:13 335.73386:15 336.22205:8 387.28879:21 411.37784:10 459.34833:13 535.44745:19 578.84625:35 579.33887:35 579.44153:675 579.62799:14 579.76111:42 579.8194:11 580.07733:13 580.41858:21 582.3432:22 597.28986:43 597.33905:39 597.45026:3575 597.5675:14 597.5929:24 597.70984:18 597.75342:7 597.84619:11 597.88019:7 0 0 0 0 0 0 0 55203 52883 49091 47936 53248 53762 51429 0 130414 142866 116831 165210 217897 239760 0 0 0 0 0 130037.0234375 207622.197916667 0 0 51935.8850446429 0 0 13021.4690982525 38322.603874104 0 0 2613.40574092223 450 4.898 597.45264 w/o MS2:NAGlySer 12:0;O(FA 16:0) [M-H]- 0.542 True 7.98 597.44843 C33H62N2O7 NAGlySer NFUSADWMAPNLQJ-UHFFFAOYSA-N O=C(OC(CCCCC)CCCCCC(=O)NCC(=O)NC(C(=O)O)CO)CCCCCCCCCCCCCCC 530 True True False False False null null 68.5 100 null null null 523.17 B. cold 1 597.45264:41952 598.45599:22013 599.45935:3789 30.7999:32 59.01465:47 92.1572:13 117.77174:27 129.09114:24 151.11794:9 152.08395:15 159.6414:6 167.14491:35 181.12331:87 197.1136:46 215.1273:34 231.21468:22 249.22269:217 259.24335:166 271.14691:13 275.19891:26 277.21643:94 279.23187:22 280.23999:15 283.09064:27 291.19373:108 293.14917:19 293.2121:1523 293.3735:25 293.72333:11 294.21506:25 301.11252:16 301.20547:30 302.09314:22 303.15463:34 303.18256:64 303.23288:2693 303.29913:16 303.35504:34 303.50378:17 303.54538:12 303.61771:10 303.97754:14 304.05173:6 304.24249:49 305.17346:46 305.24591:55 309.17657:54 309.20639:114 309.48648:8 310.49072:6 310.77652:7 311.12463:53 311.2226:21406 311.31293:83 311.39523:26 311.42484:41 311.47778:52 311.52069:46 311.56488:34 311.60016:33 311.63757:50 311.67871:35 311.76108:24 311.82516:6 311.88257:22 311.91977:14 311.95935:26 312.02539:16 312.05707:32 312.08578:9 312.1362:27 312.17145:13 312.19351:13 312.22418:110 312.51505:6 312.57001:11 312.95358:14 313.0834:10 313.21179:10 317.21158:203 319.2272:167 323.38333:16 335.16449:38 335.22141:126 336.16476:16 337.23764:198 434.3909:23 455.35034:73 468.26294:5 469.63229:34 485.36307:123 535.44928:80 536.61493:28 579.36908:7 579.43915:1183 579.68188:6 580.44647:54 580.63446:16 597.40485:64 597.44983:220 0 0 0 0 0 0 0 247479 224601 226992 226712 225858 223867 224029 0 521998 543640 471454 378796 451449 509555 0 0 237 0 0 512363.791666667 446600.166666667 79.0288950602214 0 228505.544642857 0 0 37044.6297297963 65514.1391081898 136.882061510332 0 8458.59200059454 451 2.582 599.33392 Unknown [M-H]- 0.083 False null null null null null null 999 False False False False False null null null null null null null 93.49 QC-1 599.33392:4833 600.33727:2005 601.34063:400 14644 14857 16920 0 0 0 0 140604 106690 106416 14348 11295 3725 8845 0 13042 10565 2543 15080 4953 3773 32133 23575 32596 0 0 8716.8154296875 7935.14526367188 29434.625 15473.5589192708 55989.1177455357 0 0 5488.49978448133 6215.36997231711 5079.56728140867 1257.03659762361 59102.6732199099 452 2.714 599.33545 Unknown [M-H]- 0.042 True null null null null null null 999 False False False False False null null null null null null null 151.19 P. room temp 1 599.33545:7576 600.3388:2042 601.34216:725 134.98624:46 152.99388:45 232.11919:21 255.19965:29 255.231:51 267.23218:46 267.26608:8 343.0954:29 391.20819:46 391.22656:143 391.44403:12 409.21512:83 409.2327:73 501.78723:51 553.40936:20 579.02917:21 599.18958:40 599.33386:3504 599.40234:46 599.43549:18 599.46875:21 599.51105:12 599.61261:8 599.70575:7 95878 97106 24033 0 0 0 0 18455 18674 106389 77069 68690 7363 7600 0 2156 1971 3200 2702 6880 5102 209086 168981 200241 0 0 2442.34195963542 4894.677734375 192769.203125 72338.8046875 43462.9139927455 0 0 662.668591885961 2097.08016446351 21070.5569446043 41838.7939313336 39905.608474525 453 1.927 599.39478 Unknown [M-H]- 0.542 True null null null null null null 999 False False False False False null null null null null null null 101.9 QC-6 599.39581:4345 600.39916:1339 601.40252:989 83.04026:16 165.13196:24 189.09062:46 193.97508:24 197.1138:20 209.11751:29 213.18575:35 227.10353:34 235.08229:37 253.09421:56 254.09071:19 255.23122:25 287.22754:7 288.28891:25 291.17966:24 291.19458:43 303.23355:288 303.28751:6 303.59561:8 305.17377:10 305.35498:11 307.13876:18 307.19:1189 307.39853:29 307.53238:5 307.60623:5 308.11081:19 309.09784:13 325.17273:106 325.20129:586 325.53098:6 326.15472:8 383.29385:29 429.30026:55 483.31464:54 491.04822:10 499.29865:25 501.31589:48 537.39215:30 555.38641:25 567.21655:16 581.34253:25 581.38354:292 599.33917:42 599.39099:138 0 0 0 0 0 0 0 38811 34862 37859 35119 39564 38327 38052 0 64127 67612 55298 112929 68655 78820 0 283 0 0 0 62345.5299479167 86801.109375 94.2602844238281 0 37513.4977678571 0 0 6347.33989893705 23190.873679569 163.263601757964 0 1813.09185336824 454 1.577 599.39532 Unknown [M-H]- 0.167 False null null null null null null 999 False False False False False null null null null null null null 120.42 B. room temp 1 599.39532:6418 600.39867:2810 601.40203:724 0 42 0 0 0 0 0 35849 32550 31852 34976 33229 34570 32300 0 75471 70710 60596 54936 54144 78057 0 0 119 0 0 68925.5833333333 62378.9947916667 39.7660420735677 13.9529279073079 33618.0864955357 0 0 7596.55522823284 13583.4562330951 68.8768052873409 24.167180049803 1520.8834071589 455 5.73 599.46722 w/o MS2:SE 24:1;O4/14:1 [M-H]- 0.208 False 8.95 599.46808 C38H64O5 DCAE UBTYCKOEWDAOCP-UHFFFAOYSA-N O=C(O)CCC(C)C1CCC2C3CCC4CC(OC(=O)CCCCCCCC=CCCCC)CCC4(C)C3CC(O)C12C 530 True True False False False null null 99.6 99.9 null null null 130.38 B. cold 1 599.46722:8040 600.47057:3522 601.47393:1586 0 0 0 0 0 0 0 35843 36259 34680 31551 32694 32311 32154 0 61109 61611 55052 96811 81137 90258 0 0 0 0 0 59257.4765625 89401.9713541667 0 0 33641.7170758929 0 0 3650.43612282917 7872.35477195597 0 0 1915.83633966322 456 5.547 599.46796 w/o MS2:SE 24:1;O4/14:1 [M-H]- ion correlated with 640; ion correlated with 281 0.167 False 8.95 599.46808 C38H64O5 DCAE UBTYCKOEWDAOCP-UHFFFAOYSA-N O=C(O)CCC(C)C1CCC2C3CCC4CC(OC(=O)CCCCCCCC=CCCCC)CCC4(C)C3CC(O)C12C 530 True True False False False null null 100 99.9 null null null 73.84 B. cold 1 599.46796:6972 600.47131:3856 601.47467:1345 0 0 0 0 0 0 0 17257 16479 16379 14580 15794 15030 15238 0 38861 37014 35720 53764 37598 40660 0 0 0 0 0 37198.2903645833 44007.1822916667 0 0 15822.4560546875 0 0 1578.34010833017 8587.0704561631 0 0 941.084305251634 457 4.622 600.46747 SL 34:1;O [M-H]- 0.542 True 8.4 600.46667 C34H67NO5S SL QDCAMLAYGSXUDB-UHFFFAOYSA-N O=C(N(CC(O)CCCCCCCCCCCCCC)CS(=O)(=O)O)CCCCCCCC=CCCCCCCC 420 True True True False False null null 100 99.9 75 72.3 100 626.25 B. room temp 3 600.46686:40706 601.47021:22155 602.47357:4872 61.98939:51 79.957:69 81.03446:33 174.98167:23 280.99683:34 312.22311:20 333.20911:53 350.23563:37 372.08734:24 463.9826:35 526.32507:23 540.45801:18 557.21252:40 596.75842:16 596.953:16 597.04919:17 597.23145:18 598.97571:8 599.20911:18 600.20764:29 600.30847:136 600.36462:253 600.46655:28460 600.76025:46 600.7934:49 600.85498:68 600.90405:52 600.94525:15 0 0 0 0 0 0 0 127283 132065 129910 128620 129869 122748 123778 0 351552 383022 289517 340386 350020 318957 0 0 0 0 0 341363.510416667 336454.15625 0 0 127753.292410714 0 0 47577.9194774536 15900.4463900647 0 0 3404.5384715048 458 1.555 601.2298 Unknown [M-H]- 0.167 False null null null null null null 999 False False False False False null null null null null null null 76.82 B. room temp 2 601.2298:4073 602.23315:2509 603.23651:1238 0 0 0 0 0 0 0 8565 8887 8156 9670 8420 8589 8293 0 34307 34920 15896 14987 33005 33912 0 0 0 0 0 28374.400390625 27301.3225911458 0 0 8654.45138113839 0 0 10811.1309157109 10673.7499839752 0 0 505.337176479839 459 1.752 601.41101 Unknown [M-H]- ion correlated with 121 0.542 True null null null null null null 999 False False False False False null null null null null null null 126.34 B. cold 1 601.41101:14985 602.41436:6011 603.41772:1057 39.00224:9 68.80827:5 112.98515:61 132.39719:35 155.1093:114 163.11597:24 165.12386:59 171.10413:169 183.14212:35 185.1349:23 193.16106:70 196.15002:42 202.16734:36 210.12086:20 247.20667:31 261.15103:15 273.18005:36 289.14481:12 291.13031:18 291.19626:2469 291.35437:7 291.44882:8 291.66705:13 291.84686:14 292.20432:34 292.57065:13 293.21524:20 293.83081:29 307.14551:24 307.19315:95 307.23557:10 308.19406:26 309.13525:90 309.20737:4032 309.28693:16 309.33554:17 309.40851:12 309.48141:27 309.53006:10 309.68204:23 309.78455:14 309.85843:21 310.1875:22 310.2113:42 310.23566:9 310.81412:9 315.17279:44 327.19376:114 327.21771:949 327.26096:13 327.44897:7 327.47989:5 327.50565:15 327.56735:12 328.19928:20 349.23386:17 380.99811:38 393.26947:18 403.28946:14 411.29471:29 429.30127:29 482.20731:32 547.37415:31 565.30652:40 565.37677:8 583.39606:72 585.11707:13 601.3761:23 601.4101:94 0 0 0 0 0 0 0 50871 43889 45134 47878 45226 39327 44716 0 97999 81702 76610 158010 90258 103352 0 0 0 0 0 85436.7317708333 117206.609375 0 0 45291.6233258929 0 0 11172.9283587719 35938.2027366779 0 0 3552.42506351551 460 1.418 601.46826 Unknown [M-H]- ion correlated with 1039; similar chromatogram in higher mz_490 0.125 False null null null null null null 999 False False False False False null null null null null null null 82.78 B. cold 2 601.46826:4830 602.47161:1540 603.47497:536 0 0 0 0 0 0 0 11340 6222 5676 6438 5352 4507 5433 0 38543 4465 7972 32446 59584 58927 0 0 0 0 0 16993.1958007813 50319.1647135417 0 0 6424.03097098214 0 0 18744.4936316523 15481.6634401872 0 0 2257.24830098262 461 4.194 602.44617 w/o MS2:SL 12:1;O/21:0;O [M-H]- ion correlated with 395 0.167 False 8.38 602.44598 C33H65NO6S SL DTTSSGPAMODBTR-UHFFFAOYSA-N O=C(N(CC(O)C=CCCCCCCC)CS(=O)(=O)O)C(O)CCCCCCCCCCCCCCCCCCC 530 True True False False False null null 100 99.9 null null null 75.71 B. room temp 2 602.44617:5204 603.44952:2824 604.45288:1290 0 0 0 0 0 0 0 9229 9714 9575 10124 8924 10410 10052 0 34273 43847 28551 28426 28315 23683 0 0 0 0 0 35557.1106770833 26807.5859375 0 0 9718.45842633929 0 0 7728.29248785112 2706.96720426342 0 0 523.609246617751 462 4.905 602.48175 w/o MS2:SL 12:0;O/22:0 [M-H]- 0.25 False 9.68 602.48242 C34H69NO5S SL CGVOLWJJYKKNLP-UHFFFAOYSA-N O=C(N(CC(O)CCCCCCCCC)CS(=O)(=O)O)CCCCCCCCCCCCCCCCCCCCC 530 True True False False False null null 99.8 99.9 null null null 116.38 B. room temp 2 602.48175:8013 603.4851:3515 604.48846:1024 0 0 0 0 0 0 0 9934 10566 10194 10044 10177 9183 10337 0 49555 66444 36152 58075 43006 34396 0 0 0 0 0 50716.7044270833 45159.0078125 0 0 10062.330078125 0 0 15179.3334488736 11985.74024083 0 0 437.636804335225 463 1.349 603.28357 Unknown [M-H]- ion correlated with 407 0.042 False null null null null null null 999 False False False False False null null null null null null null 68.43 B. cold 3 603.28357:3421 604.28692:1222 605.29028:268 0 0 0 0 0 0 0 8003 6667 8020 8120 8266 7030 8028 0 20596 14292 16118 15147 23826 27427 0 0 0 0 0 17002.2174479167 22133.345703125 0 0 7733.2333984375 0 0 3243.32484071166 6312.41250314606 0 0 620.125111813642 464 3.569 603.42639 Unknown [M-H]- ion correlated with 363; ion correlated with 813 0.208 True null null null null null null 999 False False False False False null null null null null null null 108.07 B. room temp 2 603.42639:7146 604.42974:3876 605.4331:991 44.99777:106 97.06441:48 123.04248:25 137.0619:41 141.01401:10 151.07663:27 157.12416:17 169.08582:57 171.10365:146 181.08586:38 181.12334:38 185.11646:76 193.12308:27 197.11633:69 198.03268:17 199.09854:238 207.10085:14 209.1171:161 211.10236:45 223.12814:31 239.16451:20 243.17714:65 255.23264:25 261.18481:65 270.25302:34 279.18723:22 279.23212:216 280.39526:24 287.16489:230 287.74487:5 288.16672:44 295.19189:46 305.12808:88 305.17554:1809 305.37442:8 306.1478:10 306.18442:140 306.23245:14 322.97522:32 323.06238:20 323.13336:82 323.18689:1474 323.27954:9 323.32303:11 323.47192:22 323.74567:19 323.98065:6 324.07526:10 325.19592:33 331.18655:16 339.17001:41 341.1937:18 347.20792:21 349.20233:58 369.27386:42 387.28995:36 399.29108:30 431.25903:34 431.3165:72 471.34381:22 487.33676:39 499.34747:20 516.33832:12 521.91174:10 523.4043:19 541.35059:21 567.26984:16 567.32117:16 567.40405:775 570.86261:8 585.25549:19 585.33728:81 585.41461:504 585.46027:29 585.92804:22 603.42523:170 0 0 0 0 0 0 0 15216 14957 16894 14850 17524 12901 15899 0 54098 56477 36025 58853 39490 56006 0 0 0 0 0 48866.6197916667 51449.91015625 0 0 15463.0555245536 0 0 11184.8855659551 10454.7661523011 0 0 1513.35596320921 465 4.066 604.46045 w/o MS2:RIKEN N-VS1 ID-3148 from Mouse_Kidney_WT_N_F1 [M-H]- ion correlated with 520 0.25 False 7.78 604.45978 Unknown 530 True True False False False null null 99.8 99.9 null null null 90 B. room temp 2 604.46045:5321 605.4638:2922 606.46716:711 228 218 252 0 0 0 0 15144 15542 15607 15492 15319 13845 13515 0 47657 54098 37191 49829 44418 39852 288 0 613 0 0 46315.4166666667 44699.8190104167 300.174560546875 232.820760091146 14923.5027901786 0 0 8533.19193827618 4994.54388681326 306.512390021227 17.5422395871546 868.44078284245 466 3.063 605.24066 Unknown [M-H]- 0.167 False null null null null null null 999 False False False False False null null null null null null null 80.23 B. room temp 2 605.24066:4805 606.24401:2470 607.24737:553 0 0 0 0 0 0 0 8061 8181 8503 8087 8190 8642 9087 0 25491 34237 31431 23965 13408 13721 0 0 0 0 0 30386.228515625 17031.3395182292 0 0 8392.94398716518 0 0 4465.46231043847 6006.80105171972 0 0 375.32702997799 467 3.382 605.27716 w/o MS2:LPI 19:4 [M-H]- 0.542 True 4.93 605.27319 C28H47O12P LPI DRHUXKPUBZPBGH-UHFFFAOYSA-N O=C(OCC(O)COP(=O)(O)OC1C(O)C(O)C(O)C(O)C1O)CCCCCC=CCC=CCC=CCC=CCC 530 True True False False False null null 94.8 100 null null null 105.63 B. cold 1 605.27716:11040 606.28051:5685 607.28387:943 73.03054:7 94.56285:21 100.25644:26 269.16263:13 287.2222:671 301.21536:91 307.18896:12 311.22034:34 325.18243:29 335.22226:161 391.22299:21 393.18698:61 408.54474:8 459.22314:20 502.19901:11 504.21481:207 504.32297:18 505.1701:23 518.23737:19 519.23834:361 520.23798:20 540.20856:23 561.3736:6 573.25269:94 587.43073:60 604.45258:5 605.034:22 605.10138:58 605.1438:53 605.27618:6840 605.44141:723 605.57391:27 605.6709:42 605.73022:22 605.77032:24 0 0 0 0 0 0 0 37709 39830 37763 36938 35459 37095 38733 0 34991 33824 63467 93644 65310 27678 0 0 307 0 0 44094.1536458333 62210.5501302083 102.359018961589 0 37646.7433035714 0 0 16787.9257571289 33092.4256263188 177.291021454377 0 1387.78830368427 469 3.88 605.44202 Unknown [M-H]- similar chromatogram in higher mz_500; similar chromatogram in higher mz_976 0.208 True null null null null null null 999 False False False False False null null null null null null null 85.33 B. cold 1 605.44202:9089 606.44537:4347 607.44873:1102 44.99996:14 72.72378:19 115.07649:29 125.09529:40 137.09785:51 155.10748:36 163.11366:53 171.09975:22 185.11835:34 199.09644:177 199.52776:27 209.10004:121 209.11888:478 216.62062:14 217.20064:27 225.10355:28 237.1109:16 245.18687:25 263.2034:116 265.17526:24 269.17584:110 279.16916:9 279.23276:394 283.26083:186 287.22263:65 289.18188:30 293.15591:19 307.09088:31 307.19043:2433 307.22855:40 307.25436:13 307.29477:10 307.41269:18 307.43002:30 307.52133:18 307.59363:13 307.69061:33 307.94522:83 307.98163:8 308.20349:67 308.97086:10 317.2066:29 321.20032:28 325.14514:21 325.20123:211 349.20135:24 369.17322:10 371.29419:23 373.34277:13 399.32745:208 405.3381:25 417.34128:78 431.3511:34 445.36414:21 447.34488:23 449.80145:31 471.34659:95 489.35837:15 523.98853:13 525.38153:35 525.43201:71 543.44183:53 569.42114:467 587.33301:39 587.44653:27 605.30591:31 605.35651:22 605.37958:25 605.44153:24 605.49231:71 0 0 0 0 0 0 0 23583 19754 20421 19730 20789 19347 21288 0 57668 67307 35092 74369 55598 74971 0 0 0 0 0 53355.51953125 68312.47265625 0 0 20701.7273995536 0 0 16534.981338992 11015.1901781251 0 0 1438.23717673812 471 6.327 605.47858 w/o MS2:RIKEN N-VS1 ID-3155 from Mouse_AdrenalGlands_WT_N_Ctr [M-H]- 0.083 False 8.36 605.47278 Unknown 530 True True False False False null null 84.5 100 null null null 64.45 B. room temp 2 605.47858:3410 606.48193:2006 607.48529:499 5180 4143 5029 0 0 0 0 10720 10391 10786 10107 10487 11661 10117 0 19889 22068 16448 17847 19412 16659 2789 2448 3991 0 0 19468.1360677083 17972.6158854167 3076.28116861979 4784.09993489583 10609.9799107143 0 0 2833.52146044991 1380.50461007582 810.617555050913 560.319048908114 533.399198423136 473 1.235 607.40009 w/o MS2:PG O-8:0_17:1 [M-H]- ion correlated with 547; similar chromatogram in higher mz_542 0.292 False 7.68 607.39801 C31H61O9P EtherPG IBJMGIZIYGZKDP-UHFFFAOYSA-N O=C(OC(COCCCCCCCC)COP(=O)(O)OCC(O)CO)CCCCCCCC=CCCCCCCC 530 True True False False False null null 97.9 99.8 null null null 111.94 B. cold 2 607.40009:8483 608.40344:3323 609.4068:986 0 0 0 0 0 0 0 43401 18450 19779 18724 18267 20806 18827 0 69781 34821 37239 37461 70607 66642 0 0 0 0 0 47280.2799479167 58237.0234375 0 0 22607.6090959821 0 0 19523.4323173428 18101.1806182474 0 0 9211.40830929096 474 4.868 607.42145 w/o MS2:SG 27:1;O;Hex [M-H]- 0.125 False 7.96 607.42151 C33H56O6 SHex FSMCJUNYLQOAIM-UHFFFAOYSA-N OCC1OC(OC2CC3=CCC4C(CCC5(C)C(CCC45)C(C)CCCC(C)C)C3(C)CC2)C(O)C(O)C1O 530 True True False False False null null 100 100 null null null 18.9 B. room temp 2 607.42145:5120 608.4248:2126 609.42816:515 10108 9807 9010 0 0 0 0 21678 20424 18625 19409 21465 19265 19252 0 40027 41440 37220 23483 23628 22407 12400 14623 14373 0 0 39562.3125 23172.79296875 13798.7470703125 9641.912109375 20016.9388950893 0 0 2147.64313124418 666.955645008651 1217.91805353916 567.221859459642 1188.77099905401 475 4.445 607.45654 w/o MS2:RIKEN N-VS1 ID-3170 from Mouse_Ear_WT_N_Ctr [M-H]- 0.083 False 9.66 607.4577 Unknown 530 True True False False False null null 99.3 99.9 null null null 10.24 B. cold 3 607.45654:4400 608.45989:2028 609.46325:432 0 273 0 0 0 0 0 10281 9298 9522 10055 8456 9233 8523 0 25440 26536 14441 35941 21996 35343 0 237 490 0 0 22139.0706380208 31093.533203125 242.432225545247 90.882090250651 9338.24497767857 0 0 6689.190610729 7884.50539974652 245.19192113469 157.412397812188 694.519727890033 476 2.448 607.47412 Unknown [M-H]- 0.542 True null null null null null null 999 True False False False True null null null null null null null 173.22 QC-6 607.47345:22889 608.4768:12336 609.48016:2423 59.01476:34 155.38995:36 205.19496:90 259.24222:218 285.22888:27 291.19913:59 301.31702:12 301.43097:13 301.59888:5 301.76102:18 301.80908:34 301.98315:31 302.93866:30 303.08301:10 303.23318:45504 303.47485:66 303.49261:42 303.51804:54 303.54971:44 303.58142:57 303.6261:48 303.64407:49 303.69748:49 303.7175:62 303.7601:18 303.79593:22 303.84039:77 303.88983:40 303.95419:37 303.99203:25 304.01761:23 304.0463:6 304.07507:45 304.1246:31 304.14505:16 304.23413:213 304.28717:18 304.49231:5 304.5347:35 304.58096:26 304.60077:31 304.64307:8 304.66116:19 304.73862:17 305.12274:13 305.15591:16 305.27667:14 305.35516:11 305.46988:23 305.54236:13 305.86862:11 305.90186:10 306.09787:12 306.17084:13 306.328:27 312.35739:8 315.19073:27 315.23981:5 316.36353:25 316.74606:8 335.22522:24 359.60226:30 607.2533:31 607.34637:54 607.39697:113 607.44012:26 607.68762:20 0 250 0 0 0 0 0 784664 215154 177469 159488 161942 156196 157559 0 343600 371082 286214 244689 346263 295072 1082 1006 379 0 0 333631.708333333 295341.15625 822.071807861328 83.46240234375 258924.441964286 0 0 43303.1119927221 50787.1925365359 385.791712640031 144.561121381131 232763.869078701 477 3.383 609.41516 w/o MS2:PG O-8:0_17:0 [M-H2O-H]- adduct linked to 522_[M-H]-; found in higher mz's MsMs_522 0.083 False 7.88 609.4137 C31H63O9P EtherPG GPZNXIRRFNQYEB-UHFFFAOYSA-N O=C(OC(COCCCCCCCC)COP(=O)(O)OCC(O)CO)CCCCCCCCCCCCCCCC 530 True True False False False null null 98.9 99.9 null null null 13.44 B. room temp 2 609.41516:5275 610.41851:2811 611.42187:33577 0 0 0 0 0 0 0 9417 10264 12684 10376 10206 10736 10879 0 41105 48385 22755 44290 34958 40457 0 0 0 0 0 37414.7864583333 39901.4557291667 0 0 10651.5966796875 0 0 13207.0292752705 4690.75895035706 0 0 1011.30256095959 478 2.412 609.41565 w/o MS2:PG O-8:0_17:0 [M-H]- 0.083 True 7.88 609.4137 C31H63O9P EtherPG GPZNXIRRFNQYEB-UHFFFAOYSA-N O=C(OC(COCCCCCCCC)COP(=O)(O)OCC(O)CO)CCCCCCCCCCCCCCCC 530 True True False False False null null 98.7 99.8 null null null 204.1 B. cold 1 609.41565:16888 610.419:9786 611.42236:1777 125.11277:12 127.11197:55 153.12114:29 163.11797:25 203.69789:25 205.19995:24 233.11581:43 247.20844:35 273.22549:80 277.21515:32 291.1962:532 291.23465:21 302.67435:20 303.23303:334 304.23685:353 304.4982:8 305.24045:389 309.20749:23 310.21164:13 311.22198:27 317.18155:26 317.2117:303 317.27386:8 317.84036:24 317.93893:20 333.20703:10 333.26376:10 334.78574:17 335.15875:29 335.22253:1797 335.31638:8 335.35498:22 335.4689:5 335.50055:6 335.72842:44 335.88715:7 336.22247:41 481.32028:42 591.25824:19 591.35907:43 591.40582:278 597.63574:6 606.0108:14 609.12811:13 609.26581:58 609.32074:105 609.41449:2994 609.51093:14 609.56665:24 609.62292:16 609.71674:11 609.8028:25 609.87885:12 609.91284:25 0 0 0 0 0 0 0 23394 27535 27671 23512 26259 26723 23237 0 63197 63867 52351 105984 85945 66682 0 0 0 0 0 59805.0494791667 86203.8333333333 0 0 25475.982421875 0 0 6463.9325561833 19652.3015776796 0 0 2017.88790027227 479 3.712 609.41602 w/o MS2:PG O-9:0_16:0 [M-H]- ion correlated with 493 0.542 True 7.89 609.4137 C31H63O9P EtherPG AGSXUBMCVJTGAJ-UHFFFAOYSA-N O=C(OC(COCCCCCCCCC)COP(=O)(O)OCC(O)CO)CCCCCCCCCCCCCCC 530 True True False False False null null 71.6 99.9 null null null 187.32 B. room temp 2 609.41602:20699 610.41937:11030 611.42273:15735 73.03051:13 191.10645:23 197.05939:12 209.11935:74 224.10439:19 225.10902:78 243.17589:35 249.18364:7 254.11282:15 255.23224:70 277.21613:58 287.16608:83 287.19955:50 303.16946:25 303.23422:289 303.35025:10 303.43268:8 303.68753:11 304.23376:31 305.13159:27 305.17517:1646 305.30753:6 305.4585:21 305.65176:11 305.85114:7 306.02322:7 306.17151:26 311.16168:35 321.28159:11 323.11816:68 323.18631:5567 323.28403:23 323.37222:16 323.40762:10 323.4841:22 323.52875:15 323.6084:18 323.63947:15 323.67056:21 323.71408:19 323.80698:19 323.87573:34 323.98767:39 324.02499:24 324.14825:10 324.19919:18 329.17682:24 331.18027:45 349.1824:15 365.81528:9 399.35114:20 411.28879:52 423.28741:23 439.32544:38 495.34698:16 513.31848:15 513.34979:37 559.40674:14 573.39856:21 591.25952:18 591.29333:23 591.40283:723 591.80573:15 592.25946:6 592.29333:15 609.11243:30 609.2403:25 609.27484:27 609.32819:124 609.41479:3165 609.48846:53 609.53882:22 609.58148:15 609.67108:7 609.70093:25 609.8147:10 609.86633:17 609.90662:28 0 0 0 0 0 0 0 50042 50180 51200 46702 46398 48506 47885 0 136465 155522 113540 108956 94621 102345 0 0 0 0 0 135175.684895833 101974.044270833 0 0 48701.82421875 0 0 21020.5128567086 7174.48813424084 0 0 1836.47289014125 481 2.17 609.4917 w/o MS2:AAHFA 28:6/12:0;O [M-H]- 0.708 True 10.96 609.48877 C40H66O4 FAHFA OJYXSOOVDQZPEY-UHFFFAOYSA-N O=C(OC(C(=O)O)CCCCCCCCCC)CCCCCCCCC=CCC=CCC=CCC=CCC=CCC=CCC 530 True True False False False null null 97.2 99.6 null null null 167.68 QC-1 609.4917:12813 610.49505:6019 611.49841:1564 44.99988:15 83.0521:34 203.0722:12 275.19962:47 276.35599:6 277.06564:14 277.10602:33 277.12903:49 277.21686:10537 277.3074:17 277.36493:33 277.39313:9 277.45508:30 277.48032:15 277.54333:34 277.56052:29 277.61801:34 277.647:10 277.68152:22 277.72757:23 277.74612:20 277.86005:6 277.91193:16 278.18103:8 278.22174:127 278.84015:21 280.4754:11 329.09167:17 331.08517:17 331.22327:41 333.5163:25 489.00668:82 577.24377:15 609.02606:40 609.3161:52 609.37195:12 609.40967:44 609.48615:169 20839 21999 21030 0 0 0 0 101158 91181 90521 82070 76928 78375 81097 0 95378 90464 94746 51159 82416 83261 24791 23816 24417 0 0 93529.2265625 72278.6861979167 24341.0774739583 21289.11328125 85904.28125 0 0 2673.53087684176 18294.6950441386 492.009730810116 622.000670168966 8726.58866597698 483 7.837 610.57837 w/o MS2:Cer 12:0;2O/26:0;(2OH) [M-H]- ion correlated with 605; ion correlated with 575; adduct linked to 594_[M+CH3COO]-; found in higher mz's MsMs_594; similar chromatogram in higher mz_570 0.25 True 11.7 610.578 C38H77NO4 Cer_ADS KWNRHCHZIWLTOS-UHFFFAOYSA-N O=C(NC(CO)C(O)CCCCCCCCC)C(O)CCCCCCCCCCCCCCCCCCCCCCCC 530 True True False False False null null 100 99.9 null null null 201.23 P. room temp 1 610.57837:13821 611.58172:7850 612.58508:1410 58.03143:15 125.15153:16 239.23843:51 268.26184:47 327.29196:12 528.27618:49 550.65033:10 564.55359:28 607.07452:25 609.88733:30 610.33966:42 610.38776:40 610.43384:57 610.49487:285 610.5777:8441 610.71045:49 610.80896:25 610.8349:19 610.89465:40 610.93726:19 610.96448:55 611.02991:27 49857 55967 75957 0 0 0 0 12970 17443 16606 15900 15975 16184 16682 0 4874 3508 3775 7294 5335 5208 94788 62922 75772 0 0 4052.38305664063 5945.60384114583 77827.27734375 60593.6119791667 15965.7342354911 0 0 723.978986964991 1169.30652164376 16032.2751527962 13651.0980476776 1422.0500105385 484 2.692 611.43091 Unknown [M-H]- 0.042 False null null null null null null 999 False False False False False null null null null null null null 72.62 B. cold 1 611.43091:4449 612.43426:2195 613.43762:334 0 0 0 0 0 0 0 27991 27286 28507 22129 25679 28143 26253 0 51734 52057 47958 87219 50043 62782 0 0 0 0 0 50582.8333333333 66681.41796875 0 0 26569.6311383929 0 0 2279.04692002333 18892.3621801087 0 0 2212.58857207472 485 3.69 611.43103 Unknown [M-H]- ion correlated with 526; similar chromatogram in higher mz_493 0.542 False null null null null null null 999 False False False False False null null null null null null null 136.72 B. cold 1 611.43103:13525 612.43438:6368 613.43774:36200 0 0 0 0 0 0 0 35613 38272 35407 37540 35981 36110 35955 0 109444 114762 73771 117437 106426 110144 0 239 0 0 0 99325.8958333333 111335.625 79.5663757324219 0 36411.1199776786 0 0 22289.9638747449 5601.17055490583 137.81300534267 0 1069.68623482995 486 3.402 611.43164 Unknown [M-H]- 0.542 True null null null null null null 999 False False False False False null null null null null null null 295.78 QC-1 611.43109:9189 612.43444:4942 613.4378:1158 59.01462:51 171.10429:68 205.16025:16 245.1962:14 271.20706:56 279.23306:30 289.14041:24 289.1813:322 289.20502:46 289.34061:6 290.18539:44 303.23273:362 303.26355:5 306.80502:25 307.18991:2043 307.3075:5 307.40646:10 307.44177:9 307.48419:13 307.6124:22 308.19751:66 309.20132:13 315.17224:35 315.19659:66 325.20023:590 325.2756:11 333.1568:45 333.20746:226 351.21814:38 351.24319:15 509.99512:33 527.19617:21 561.50354:31 593.39172:13 593.42151:86 611.30554:62 611.3465:41 611.42706:709 611.57404:6 611.75623:9 611.83429:23 0 0 0 0 0 0 0 72698 70024 63014 67511 67382 65737 67869 0 205935 225822 184594 204363 155094 156904 0 0 0 0 0 205450.109375 172120.442708333 0 0 67747.7544642857 0 0 20618.4321177884 27937.8085741328 0 0 3064.36344172085 487 4.049 611.43201 Unknown [M-H]- ion correlated with 344 0.542 True null null null null null null 999 False False False False False null null null null null null null 218 B. room temp 1 611.43121:16325 612.43456:8131 613.43792:2322 61.98961:60 71.01356:54 83.04828:15 125.09788:131 151.11035:45 152.99808:6 153.09235:56 155.10815:22 180.09344:28 185.11714:62 191.14522:41 193.10414:25 193.11955:54 209.08499:35 209.11745:415 209.86015:11 211.12852:17 224.12573:28 225.10968:30 227.12575:40 229.1459:24 245.19275:30 251.19162:16 259.24634:28 262.37039:36 263.20493:48 265.18195:30 269.18112:41 277.14313:29 279.23608:34 289.18018:90 303.23318:201 306.14368:8 306.94684:47 307.10425:28 307.19083:6015 307.27399:29 307.3053:23 307.33441:18 307.37701:9 307.40103:32 307.45239:14 307.50403:23 307.57675:45 307.62906:21 307.69806:36 307.75253:11 307.86163:22 307.93527:14 308.19519:8 308.51071:21 323.88031:20 323.98734:26 325.04684:16 325.12161:13 325.15964:146 325.20212:2089 325.25244:91 325.40115:15 325.45813:17 325.81357:7 325.94455:17 326.20071:75 333.20688:49 362.19705:22 423.22363:39 423.32443:109 441.33557:139 473.32706:10 495.34146:109 549.4295:42 550.53961:6 556.07251:8 575.37238:44 593.27942:38 593.42059:1272 593.68048:13 593.77606:19 593.84344:18 594.06293:7 611.40167:40 611.42767:623 0 0 0 0 0 0 0 54354 56546 55030 53108 57189 56051 50302 0 136618 148377 111449 142741 125824 140055 0 0 0 0 0 132148.276041667 136206.708333333 0 0 54654.2265625 0 0 18865.3175905695 9091.8411081407 0 0 2363.65892646235 488 2.601 611.50806 Unknown [M-H]- adduct linked to 448_[M+FA-H]- 0.792 True null null null null null null 999 True False False False True null null null null null null null 240.09 B. cold 1 611.5072:12753 612.51055:5068 613.51391:1293 59.01313:25 130.98978:37 149.08939:29 191.17831:22 219.10452:19 220.17995:32 243.16174:39 255.20605:31 255.22662:16 274.22061:44 275.2067:56 275.23099:76 277.22141:28 278.12555:19 279.15897:80 279.23318:7196 279.31378:21 279.38885:26 279.40039:10 279.45816:20 279.4986:15 279.52643:22 279.56088:10 279.6199:57 279.6777:8 279.78644:12 279.84531:12 279.88:13 279.92624:22 280.00156:18 280.05344:16 280.2388:91 280.31372:5 282.74298:25 291.14923:18 291.19684:250 292.20148:9 292.23398:40 293.20673:60 301.21561:36 309.17767:31 309.20786:265 311.22253:39 317.18814:16 317.211:36 319.22668:153 336.22888:212 337.23792:976 337.44699:17 389.78952:9 433.31335:42 465.2485:6 487.00732:17 549.44171:7 575.37805:10 593.27118:31 593.42059:123 611.3656:33 611.4339:78 611.51941:54 41020 41852 42382 0 0 0 0 154711 128119 130715 123038 120163 120822 125225 0 171869 176854 159701 127921 156450 150345 49488 51547 48685 0 0 169474.869791667 144905.434895833 49907.03515625 41750.9296875 128970.578125 0 0 8823.60972439516 15022.6500893948 1476.28555889667 686.658280665229 11969.0702445615 489 3.134 611.5249 Unknown [M-H]- 0.542 True null null null null null null 999 True False False False True null null null null null null null 101.4 QC-1 611.5249:8381 612.52825:4660 613.53161:15332 61.98178:50 139.11215:31 159.98671:15 165.11554:10 175.15514:17 203.12111:25 221.1893:23 255.2308:225 275.2399:19 279.21667:20 279.83371:13 281.15524:23 281.24783:11798 281.32443:54 281.36166:15 281.42462:44 281.45624:37 281.48923:15 281.53558:45 281.55881:13 281.60617:37 281.65625:36 281.71448:7 281.79077:5 281.89215:7 281.98444:6 282.07504:16 282.1795:47 282.24951:165 282.45819:13 282.83859:6 282.87704:13 289.18582:11 291.19742:11 292.90167:19 309.20792:87 317.22498:16 405.31122:28 611.42926:87 611.52332:51 4736 4860 3123 0 0 0 0 54805 28931 24936 26301 23381 25344 23492 0 39302 45567 39458 42309 34647 37499 4972 3654 3268 0 0 41442.1432291667 38151.5859375 3964.96565755208 4239.64762369792 29598.5636160714 0 0 3572.74091404493 3872.45533274729 893.544557167582 968.703842774596 11272.7890646635 490 1.403 613.23187 Unknown [M-H]- similar chromatogram in higher mz_1014; found in higher mz's MsMs_1014; similar chromatogram in higher mz_1039; adduct linked to 600_[M+Hac-H]- 0.542 True null null null null null null 999 False False False False False null null null null null null null 541.26 QC-1 613.23077:15538 614.23412:7911 615.23748:3293 44.99928:42 59.01497:40 127.00646:28 286.81949:7 287.14734:38 287.22501:225 287.26437:7 293.11533:29 293.17163:6 293.21329:35 295.17175:18 295.20151:42 297.15543:25 305.17517:41 315.19806:35 317.20804:23 319.22873:112 320.23001:18 321.21417:20 325.18268:87 481.1925:47 508.173:36 530.12213:23 537.12634:20 537.17102:32 537.21692:100 537.23969:37 542.90375:9 579.33124:10 581.02911:28 581.20483:105 612.9679:25 613.08429:112 613.11029:81 613.15338:185 613.23083:7481 613.30066:105 613.40796:179 613.49536:62 613.64148:22 613.68427:10 613.72717:23 1198 3513 3550 0 0 0 0 131906 117327 127082 133535 126373 130758 128648 0 335512 310771 114069 422757 426336 418380 4783 202 3862 0 0 253450.375 422491.239583333 2949.19610595703 2753.74100748698 127946.966517857 0 0 121340.324063423 3984.52925992232 2423.11201312068 1347.48402833021 5343.05395475756 491 2.292 613.3512 w/o MS2:PG O-8:0_18:5 [M-H]- 0.542 True 6.54 613.35107 C32H55O9P EtherPG LJAIXUXFNYKWKQ-UHFFFAOYSA-N O=C(OC(COCCCCCCCC)COP(=O)(O)OCC(O)CO)CC=CCC=CCC=CCC=CCC=CCC 530 True True False False False null null 76.8 99.9 null null null 164.6 P. cold 1 613.3512:16333 614.35455:6325 615.35791:1255 43.02459:10 85.06791:5 115.03942:18 135.08241:23 145.10925:7 161.09441:21 163.09726:27 163.11392:98 167.01138:26 189.09079:69 207.10228:348 255.22939:122 279.22693:44 349.21423:22 405.22729:36 422.98825:17 423.16412:7 423.21768:56 423.25018:98 425.39389:12 431.22189:55 504.16016:32 523.32428:47 610.11829:7 610.28046:10 610.35132:10 611.49628:29 613.23743:91 613.35077:8654 613.48572:43 613.51141:35 613.5542:37 613.59698:14 613.63165:36 613.76599:28 613.80243:26 125007 122566 117333 0 0 0 0 40238 38562 37695 37844 37888 39829 38051 0 241 0 0 1970 298 265 56757 42343 91418 0 0 80.1798044840495 844.202382405599 63505.8255208333 121635.361979167 38586.6043526786 0 0 138.875495107313 975.062493254377 25224.2410209646 3920.82414248831 1032.07791874277 492 1.241 613.41028 Unknown [M-H]- 0.208 False null null null null null null 999 False False False False False null null null null null null null 205.28 B. cold 1 613.41028:14856 614.41363:6195 615.41699:2422 0 0 0 0 0 0 0 16066 24352 16624 16118 17683 16278 16082 0 61345 23351 59731 180815 107658 110220 0 0 0 0 0 48142.2643229167 132897.408854167 0 0 17600.3614676339 0 0 21485.1435904283 41517.4245797591 0 0 3031.70398554043 493 3.694 613.44708 Unknown [M-H]- ion correlated with 479 0.542 True null null null null null null 999 False False False False False null null null null null null null 120.2 QC-2 613.44611:7748 614.44946:4663 615.45282:714 134.98245:33 193.98602:27 247.20937:23 259.24786:12 272.21066:24 281.24725:116 289.17688:31 291.19623:353 303.16174:34 303.19849:17 303.23105:320 309.11148:51 309.14017:65 309.20673:3062 309.26944:19 309.3606:21 309.3851:6 309.43961:18 309.4761:12 309.56729:13 309.59991:15 309.62808:12 309.71835:5 309.76187:11 309.84091:10 311.21942:17 319.22296:65 325.18628:6 326.53082:26 327.18051:38 327.21756:944 332.20728:16 333.20587:48 334.21188:42 335.20447:39 337.23291:11 552.99969:22 595.43738:57 613.30792:66 613.44507:1199 613.59027:11 0 0 0 0 0 0 0 62498 59223 56520 54633 54149 56096 59377 0 152977 155854 129992 187222 134791 133106 0 0 0 0 0 146274.421875 151706.671875 0 0 57499.4715401786 0 0 14174.5682776036 30768.9984300382 0 0 2995.88222434103 494 4.203 613.4472 Unknown [M-H]- 0.333 True null null null null null null 999 False False False False False null null null null null null null 66.95 B. cold 1 613.4472:11044 614.45055:5405 615.45391:1562 59.01268:81 121.06451:28 165.09212:32 165.12755:24 167.14513:24 207.09496:16 207.13364:49 253.19305:35 255.23154:15 260.185:6 261.18356:61 269.19064:89 270.19495:30 271.20667:487 271.46313:15 279.23297:78 281.24542:73 287.16202:23 289.18076:28 289.21719:576 289.45767:15 289.53369:12 290.31662:9 307.18726:30 313.18115:103 313.73083:8 315.19745:246 324.1236:14 331.10962:24 331.19138:132 331.86456:23 333.02383:23 333.11627:19 333.15881:75 333.20682:3589 333.39587:35 333.43094:6 333.49063:19 333.52853:27 333.54742:38 333.67358:17 333.70111:13 334.14786:35 334.17255:23 351.09402:11 351.1665:39 351.21326:156 351.931:21 352.19681:32 509.37497:46 595.43738:62 613.24487:6 613.30695:25 613.37366:44 613.44604:1055 613.50293:20 613.67462:24 0 0 0 0 0 0 0 28789 24342 29530 25099 23908 25084 27913 0 65715 61889 54140 88810 64774 66206 0 0 0 0 0 60581.1927083333 73263.2057291667 0 0 26380.9522879464 0 0 5897.41981235963 13482.9504821686 0 0 2297.11808480715 495 3.961 613.44751 Unknown [M-H]- 0.25 False null null null null null null 999 False False False False False null null null null null null null 86.98 B. cold 1 613.44751:10605 614.45086:4912 615.45422:1566 0 0 0 0 0 0 0 28715 28879 28154 25840 25981 26402 26962 0 71261 72243 55906 82027 64284 64889 0 0 0 0 0 66470.0625 70400.2122395833 0 0 27276.1409040179 0 0 9161.66764270022 10073.8861142998 0 0 1291.94931515827 496 3.138 613.52386 w/o MS2:FAHFA 18:1/22:3;O [M-H]- 0.542 True 11.08 613.52008 C40H70O4 FAHFA RFGAZJMERAXWJU-UHFFFAOYSA-N O=C(O)CCCCCCCC(OC(=O)CCCCCCCC=CCCCCCCCC)C=CCC=CCC=CCCCCC 530 True True False False False null null 75.3 99.7 null null null 78.8 B. room temp 2 613.52386:19986 614.52721:7993 615.53057:2011 59.01235:58 99.01432:9 141.05577:69 251.20186:55 255.23232:98 257.24008:53 280.86368:26 281.24817:11701 281.32874:83 281.37332:31 281.39691:28 281.44891:29 281.46692:23 281.48959:24 281.56427:16 281.68082:18 281.71561:26 281.7449:18 281.77362:15 281.81421:12 281.8432:16 281.86584:13 281.96823:6 281.99695:8 282.03445:8 282.17978:9 282.25098:245 282.33652:25 282.58624:8 283.16364:11 283.25189:81 283.84811:22 296.12228:7 311.22067:110 335.22281:20 339.25485:89 553.36597:13 595.43427:40 613.25549:46 613.30743:9 613.40308:94 613.44574:290 613.52045:233 613.63208:26 613.6579:11 613.75891:22 18927 18089 17557 2171 1758 2160 2541 114502 102129 101702 99241 93629 97345 95918 0 159656 174877 149539 129610 142936 141508 17491 16405 18089 1309.77205403646 2350.56774902344 161356.973958333 138017.768229167 17328.4173177083 18191.2395833333 100637.760044643 1152.96773012481 269.740348370196 12754.4427380113 7316.3709848837 853.976422125848 690.568843264043 6828.43205108613 497 4.946 614.47614 w/o MS2:Cer 12:1;3O/26:5;(2OH) [M-H]- similar chromatogram in higher mz_930 0.083 False 8.35 614.479 C38H65NO5 Cer_AP AGCDTCXETPAYJA-UHFFFAOYSA-N O=C(NC(CO)C(O)C(O)CCCC=CCCC)C(O)CCCCCCCCC=CCC=CCC=CCC=CCC=CCC 530 True True False False False null null 96 99.9 null null null 64.65 B. room temp 2 614.47614:3442 615.47949:1816 616.48285:822 0 0 0 0 0 0 0 3007 3085 2802 2579 3776 3179 3507 0 19459 21693 14701 19708 17728 14446 0 0 0 0 0 18617.59375 17293.9026692708 0 0 3133.68401227679 0 0 3571.02921623343 2657.82511078429 0 0 406.169124045994 498 1.612 615.39069 w/o MS2:CL 12:0_12:0_12:0_20:4 [M-H]- 0.125 False 11.44 615.38489 C65H118O17P2 CL RHOSAZIRCHWUHW-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCCCCCC)COP(=O)(O)OCC(O)COP(=O)(O)OCC(OC(=O)CCCCCCCCCCC)COC(=O)CCCCCCCCCCC)CCCCCCC=CCC=CCC=CCC=CCC 530 True True False False False null null 84.5 99.5 null null null 76.09 B. room temp 2 615.39069:4002 616.39404:1592 617.3974:1163 43 305 0 0 0 0 0 23151 23416 20470 19993 20661 19723 18358 0 50938 54083 30448 57758 40170 49106 0 0 0 0 0 45156.5703125 49011.4518229167 0 116.111897786458 20824.46875 0 0 12834.6784843563 8794.6373881148 0 165.078751350093 1838.10117247563 499 4.531 615.4621 w/o MS2:SE 24:1;O4/14:1;1O [M-H]- 0.125 False 8.55 615.46301 C38H64O6 DCAE MYJCVMLBDNZRCZ-UHFFFAOYSA-N O=C(O)CCC(C)C1CCC2C3CCC4CC(OC(=O)CCCCCCC(O)C=CCCCC)CCC4(C)C3CC(O)C12C 530 True True False False False null null 99.6 99.9 null null null 5.52 B. cold 1 615.4621:4970 616.46545:4457 617.46881:1068 0 0 0 0 0 0 0 13016 10682 12269 10339 11759 12098 10533 0 26013 25028 20395 37068 26700 29494 0 0 0 0 0 23812.1490885417 31087.2740885417 0 0 11528.0119977679 0 0 2999.86698193996 5364.23118858253 0 0 1021.41800843776 502 4.435 616.4613 SL 34:1;2O [M-H]- 0.542 True 7.87 616.46161 C34H67NO6S SL YRZIYESISSJXTK-UHFFFAOYSA-N O=C(N(CC(O)CCCCCCCCCCCCCC)CS(=O)(=O)O)C(O)CCCCCCC=CCCCCCCC 420 True True True False False null null 100 99.9 87.6 35 100 180.61 B. room temp 3 616.46161:13904 617.46496:6739 618.46832:4360 79.95845:13 100.48449:11 101.02209:23 280.98032:63 283.24274:38 283.26624:67 284.26184:20 288.20486:28 332.22513:27 350.24164:52 428.9791:45 612.49359:12 615.72357:12 616.01465:24 616.09973:7 616.22632:18 616.33142:85 616.46063:10268 616.57452:31 616.64764:81 616.71124:27 616.76819:37 616.81097:41 616.8371:30 616.89642:43 0 0 0 0 0 0 0 38059 38526 35548 36400 36306 34965 38466 0 134581 157356 107066 106196 110777 93042 0 0 0 0 0 133000.96875 103338.450520833 0 0 36895.6813616071 0 0 25182.5455004082 9206.2977345739 0 0 1449.9585152979 503 1.228 617.38348 w/o MS2:PG O-8:0_18:3 [M-H]- 0.542 False 7.29 617.38239 C32H59O9P EtherPG UJWWJEPGGPLTOK-UHFFFAOYSA-N O=C(OC(COCCCCCCCC)COP(=O)(O)OCC(O)CO)CCCCCCCC=CCC=CCC=CCC 530 True True False False False null null 99.4 99.8 null null null 215.2 B. cold 1 617.38348:23195 618.38683:10063 619.39019:3794 0 0 0 0 0 0 0 46486 48872 43236 37766 40387 44350 40458 0 108322 94530 82647 165875 114042 111787 0 0 0 0 0 95166.578125 130568.138020833 0 0 43079.2667410714 0 0 12849.0058797971 30597.3180935035 0 0 3854.4664108184 504 1.756 617.40588 w/o MS2:CL 12:0_12:0_14:0_18:2 [M-H]- ion correlated with 459; ion correlated with 519 0.25 False 12.21 617.40057 C65H122O17P2 CL LZFQOXBQMSMUQV-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCCCCCCCC)COP(=O)(O)OCC(O)COP(=O)(O)OCC(OC(=O)CCCCCCCCCCC)COC(=O)CCCCCCCCCCC)CCCCCCCC=CCC=CCCCCC 530 True True False False False null null 86.9 99.5 null null null 139.76 B. cold 1 617.40588:11459 618.40923:5130 619.41259:1185 0 0 0 0 0 0 0 30418 29243 27732 24754 26718 24393 27607 0 74659 74240 48554 122066 69283 101082 0 176 0 0 0 65817.7591145833 97477.1276041667 58.6885630289714 0 27266.443359375 0 0 14951.9685584332 26575.6244263891 101.651572989387 0 2200.13451067462 505 1.266 617.42017 Unknown [M-H]- 0.125 True null null null null null null 999 True False False False True null null null null null null null 95.76 P. room temp 2 617.42017:5896 618.42352:2493 619.42688:622 59.00943:46 157.12532:5 173.09821:21 207.09978:21 221.15448:133 247.16974:48 287.19873:34 291.06494:28 297.00757:36 301.17825:22 313.21686:52 322.95615:16 336.91885:60 339.89853:6 379.26559:149 391.26285:123 394.24844:29 409.27014:224 424.29538:31 433.19589:44 435.03897:38 455.33511:19 489.34131:20 525.34009:25 563.38684:28 581.31409:49 581.401:67 584.38037:33 598.72668:8 599.25708:16 599.33319:47 599.40967:1107 599.7901:8 599.93182:6 600.04401:6 600.40955:56 600.66357:12 611.20056:15 617.26355:58 617.31329:91 617.34442:110 617.42114:1359 617.53876:6 617.58081:12 617.74457:34 617.90765:8 16753 15878 31357 0 0 0 0 5270 7633 5462 8333 7256 6450 7456 0 0 906 0 0 0 0 36112 44500 22985 0 0 301.871887207031 0 34532.4602864583 21329.4378255208 6836.97984095982 0 0 522.85744601928 0 10843.8786135588 8694.99524625603 1149.15510698155 506 4.318 618.47864 SL 34:0;2O|SL 17:0;O/17:0;O [M-H]- 0.542 True 8.14 618.47729 C34H69NO6S SL DTCSHIYBWVNQJM-UHFFFAOYSA-N O=C(N(CC(O)CCCCCCCCCCCCCC)CS(=O)(=O)O)C(O)CCCCCCCCCCCCCCC 410 True True True False False null null 100 99.9 40.7 41.7 100 574.57 B. room temp 3 618.47833:37311 619.48168:18617 620.48504:4660 61.99009:39 79.95893:19 80.96646:50 101.9727:23 134.45302:15 144.51091:45 235.68773:9 273.2229:25 284.27029:22 297.14987:11 298.84601:19 314.22421:19 320.21765:34 335.21701:11 338.2388:45 350.20386:65 350.23743:652 350.32632:6 350.3974:16 391.62073:31 392.24561:100 582.02905:17 614.68628:14 614.72913:12 614.9433:11 615.12323:13 617.17322:8 617.98901:31 618.15741:8 618.22095:38 618.24701:34 618.30243:84 618.40167:571 618.47803:24004 618.64124:74 618.73566:51 618.79803:54 618.91162:35 618.96265:17 3810 4450 3948 0 0 0 0 107070 97910 102015 110531 110898 109273 107242 0 317494 400151 271598 349601 366274 312966 3947 2742 3809 0 0 329747.572916667 342947.072916667 3499.52498372396 4069.42545572917 106420.024553571 0 0 65146.8890141352 27269.6374561987 659.395647174967 336.79853734534 4795.86307832327 507 3.224 618.56964 Unknown [M-H]- 0.208 False null null null null null null 999 False False False False False null null null null null null null 108.16 B. cold 2 618.56964:6116 619.57299:2897 620.57635:691 19894 21055 18422 0 0 15973 22676 34371 26857 25106 24293 27455 24944 26737 0 38591 43547 38157 33412 45788 29771 22243 22457 21800 0 19324.1508789063 40098.32421875 36323.9524739583 22166.662109375 19790.314453125 27108.9776785714 0 4739.91284045476 2994.44101427308 8396.01999363927 334.932223378633 1319.42389948231 3407.92347673289 508 4.584 619.43671 w/o MS2:PA 22:0_8:0 [M-H]- 0.083 False 8.62 619.43439 C33H65O8P PA DMMSJXRLUKUFTM-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCC)COP(=O)(O)O)CCCCCCCCCCCCCCCCCCCCC 530 True True False False False null null 97.3 99.9 null null null 85.94 B. cold 1 619.43671:4627 620.44006:2415 621.44342:737 0 0 0 0 0 0 0 21620 19054 22551 17532 17801 18725 19124 0 66526 48733 37591 55656 57846 43516 0 0 0 0 0 50950.0364583333 52339.2395833333 0 0 19486.5828683036 0 0 14594.2844736956 7719.21591231709 0 0 1893.10402402758 509 2.979 621.27142 Unknown [M-H]- 0.042 False null null null null null null 999 False False False False False null null null null null null null 69.18 B. cold 1 621.27142:3459 622.27477:2516 623.27813:563 0 0 0 0 0 0 0 4295 4722 4886 4000 4559 4050 5244 0 6129 4613 13865 21349 15085 4664 0 0 0 0 0 8202.56477864583 13699.3759765625 0 0 4536.71756417411 0 0 4962.41002517853 8428.49020001004 0 0 454.63444832508 510 1.197 621.35632 w/o MS2:PA 9:0_22:6 [M-H]- similar chromatogram in higher mz_1076 0.542 True 7.14 621.3562 C34H55O8P PA ZKJUOGWTTSYALW-UHFFFAOYSA-N O=C(OCC(OC(=O)CCC=CCC=CCC=CCC=CCC=CCC=CCC)COP(=O)(O)O)CCCCCCCC 530 True True False False False null null 100 99.8 null null null 304.98 B. room temp 1 621.35632:46946 622.35967:21740 623.36303:6207 116.73104:27 165.12415:79 191.08568:25 217.15833:32 247.20171:224 260.07892:88 261.39041:15 273.18356:220 289.39133:8 289.70297:8 290.03235:8 290.2384:21 290.60938:9 291.19379:32752 291.36679:85 291.40167:34 291.45135:100 291.51047:56 291.53693:65 291.61664:25 291.64706:28 291.65906:27 291.72299:15 291.7868:23 291.81839:32 291.86826:39 291.94208:31 291.97211:18 292.01282:24 292.04254:8 292.07208:20 292.1134:17 292.14438:12 292.19641:269 292.24039:18 292.30835:10 292.37247:7 292.39697:8 292.43231:5 292.45605:9 292.54547:19 292.56244:9 292.62152:10 292.66205:7 292.71021:12 292.86392:20 293.08276:10 294.59909:21 307.01941:24 315.19485:46 329.09891:32 329.1489:746 329.26172:14 329.58157:20 330.14575:47 330.19037:7 347.16135:59 539.40967:23 621.25269:93 621.34839:2852 621.4494:14 621.50952:26 621.83752:12 0 0 0 0 0 0 0 145863 140362 138900 131616 127511 122737 120944 0 356441 313785 271687 275243 303137 310372 0 0 0 0 0 313970.9375 296250.822916667 0 0 132561.9140625 0 0 42377.3827270621 18549.3399105605 0 0 9450.44620389525 511 4.902 621.45142 Unknown [M+CH3COO]- similar chromatogram in higher mz_835 0.375 True null null null null null null 999 True False False False True null null null null null null null 39.15 B. room temp 1 621.44824:22045 622.45159:9957 623.45495:1578 59.01375:2713 59.03794:9 59.11849:19 59.1397:14 59.20128:5 59.25512:10 60.04395:9 71.01464:75 81.06906:101 83.04997:38 85.03287:25 89.02439:235 93.05869:30 107.08753:49 113.02119:26 113.0616:47 119.02044:17 125.09752:20 127.11184:399 131.037:22 133.09013:51 133.10219:85 153.13008:49 161.04594:97 161.05499:37 165.12796:17 168.11626:25 179.05946:37 179.14153:37 179.7869:5 189.08647:13 193.12569:68 197.15179:52 209.13927:32 218.16951:17 221.11925:13 223.13367:27 255.198:29 255.23216:181 259.24039:43 273.18637:36 273.2226:426 273.31439:11 290.18195:45 291.21997:64 299.19998:66 303.23306:1343 303.49844:25 303.84802:15 304.2276:33 305.24689:33 317.21167:1649 317.29483:11 317.71024:6 319.8956:7 333.19153:46 335.22244:4798 335.30649:14 335.3895:11 335.42514:18 335.48212:16 335.52008:21 335.58411:26 335.64035:18 335.67517:7 335.72266:23 335.92532:14 336.06461:15 336.17957:73 336.22452:175 336.27411:7 336.38809:10 559.4433:44 561.24811:23 561.42151:61 603.44141:306 605.73969:7 621.24237:40 621.27655:5 621.35962:40 621.39435:19 621.44684:109 621.66547:16 0 0 0 0 0 0 0 109897 133806 112213 107958 109933 98631 80339 0 201853 221321 175526 189657 263829 298398 30521 29887 30953 0 0 199566.505208333 250628.197916667 30453.84375 0 107539.397321429 0 0 22982.7453985755 55559.3658624751 536.158580013895 0 16033.4932197239 512 4.773 621.45514 w/o MS2:NAGlySer 12:0;O(FA 18:2) [M-H]- ion correlated with 373 0.25 True 7.94 621.44843 C35H62N2O7 NAGlySer BFDSRXCOOVCYFK-UHFFFAOYSA-N O=C(OC(CCCCC)CCCCCC(=O)NCC(=O)NC(C(=O)O)CO)CCCCCCCC=CCC=CCCCCC 530 True True False False False null null 62 99.9 null null null 122.83 B. cold 1 621.45514:26729 622.45849:13125 623.46185:2232 57.03196:25 59.01476:133 107.08737:41 113.07975:36 113.09814:81 114.73192:22 125.09369:44 127.11193:499 133.10178:112 143.10558:40 149.09779:22 151.07574:8 153.10416:46 153.12901:119 165.12817:32 167.14525:21 177.09096:11 179.14584:15 180.11513:56 181.12717:8 185.11682:19 189.12933:65 191.08693:33 191.10603:11 191.17769:30 195.13414:43 205.11578:11 205.19498:41 207.13876:51 215.14291:57 218.1676:28 219.19102:5 221.15483:20 227.17682:37 231.10432:19 235.14552:12 255.23245:1661 255.28139:13 255.32002:22 255.40285:16 255.45808:11 256.6441:13 259.24368:195 261.15033:36 262.15637:15 263.20776:14 265.18066:54 273.15344:20 273.22144:571 273.33963:8 273.4252:18 273.91119:12 274.24872:8 289.20847:47 291.19504:298 291.23083:71 291.27142:6 299.18634:20 303.23312:2565 303.31168:6 303.47418:8 303.58737:23 303.64255:8 303.99207:9 304.11258:7 305.24698:51 309.14877:40 309.18561:108 309.2084:665 309.29297:14 309.4202:5 309.60867:19 309.79718:8 311.22321:113 317.0769:27 317.11539:39 317.21246:2041 317.27991:12 317.36057:19 317.45898:11 317.59396:14 317.63092:16 317.66785:18 317.76642:7 317.83408:5 318.319:21 335.22284:7934 335.30975:68 335.34232:20 335.40875:20 335.42941:13 335.48184:17 335.51324:8 335.5575:40 335.58359:18 335.62186:11 335.69675:11 335.77432:15 335.9826:20 336.02606:13 336.07672:13 336.09573:9 336.15894:21 336.18069:22 336.22809:64 336.44424:20 359.22211:48 361.24197:14 365.23352:202 477.04556:32 479.35785:45 493.35513:40 493.37152:51 493.6095:23 524.38361:7 529.42023:18 552.40985:46 559.32336:37 559.45129:47 559.48187:15 585.44171:15 603.25793:37 603.30029:23 603.39429:72 603.44025:783 603.72473:6 604.25195:6 605.22845:6 621.41217:52 621.46057:250 621.56531:57 621.80652:20 345 0 0 0 0 0 0 63313 55745 52523 52872 55977 57884 53032 0 162682 177424 134747 181958 157826 167796 0 0 0 0 0 158284.442708333 169193.723958333 0 115.034016927083 55906.4352678571 0 0 21675.6476481755 12126.4863367979 0 199.244761916447 3823.55408477534 514 7.592 622.51886 w/o MS2:Cer 13:1;2O/28:6 [M-H]- similar chromatogram in higher mz_534 0.042 False 10.31 622.52051 C41H69NO3 Cer_NS UDAQQNVOBRRVNH-UHFFFAOYSA-N O=C(NC(CO)C(O)C=CCCCCCCCC)CCCCCCCCC=CCC=CCC=CCC=CCC=CCC=CCC 530 True True False False False null null 98.7 100 null null null 77.79 IS 2 622.51886:3890 623.52221:2460 624.52557:2068 8470 9076 8144 0 0 15766 26676 4365 5163 4911 4927 4356 3834 4346 0 2816 3396 3521 3805 4129 2468 8460 9221 9098 0 21221.068359375 3244.08471679688 3467.21411132813 8926.34342447917 8563.15299479167 4557.43498883929 0 7713.93559926274 376.247511925899 880.123184637722 408.550244645568 472.872613330935 461.021288186507 515 1.196 623.36017 w/o MS2:PG 8:0_16:1;1O [M-H]- ion correlated with 149; ion correlated with 547; ion correlated with 558 0.042 False 6.55 623.35663 C30H57O11P OxPG RRAMSLKOFGIKKI-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCC(O)C=CCCCCCC)COP(=O)(O)OCC(O)CO)CCCCCCC 530 True True False False False null null 93.9 99.9 null null null 85.5 B. cold 1 623.36017:4275 624.36352:1071 625.36688:0 0 0 0 0 0 0 0 18905 17236 19175 15973 15061 15872 16933 0 39308 40930 32096 35630 35484 34287 0 0 0 0 0 37444.685546875 35133.75390625 0 0 17022.21484375 0 0 4702.26000880378 736.789624699658 0 0 1554.52945029976 516 1.306 623.45416 Unknown [M-H]- 0.125 False null null null null null null 999 False False False False False null null null null null null null 110.13 B. cold 3 623.45416:6598 624.45751:3044 625.46087:826 0 0 0 0 0 0 0 25185 8028 9959 6958 6747 8039 8311 0 33020 9881 11276 29254 56441 57259 0 0 0 0 0 18058.8929036458 47651.533203125 0 0 10460.919921875 0 0 12975.6092202678 15937.6304995522 0 0 6576.81410101003 517 2.225 623.4892 w/o MS2:RIKEN N-VS1 ID-3353 from Mouse_AdrenalGlands_WT_N_Ctr [M-H]- ion correlated with 236; similar chromatogram in higher mz_1017; similar chromatogram in higher mz_1269 0.042 False 7.88 623.48743 Unknown 530 True True False False False null null 98.4 99.8 null null null 78.58 B. room temp 2 623.4892:3929 624.49255:2051 625.49591:595 0 0 0 0 0 0 0 7883 5727 6032 6648 6654 6257 6613 0 17449 25872 17349 8798 15601 16769 0 0 0 0 0 20223.1692708333 13722.9811197917 0 0 6544.87660435268 0 0 4892.46606843839 4304.66262007468 0 0 687.004278902539 519 1.801 625.41058 w/o MS2:GM3 41:0;2O [M-H]- ion correlated with 459; ion correlated with 504; ion correlated with 472 0.167 False 9.91 625.41193 C64H120N2O21 GM3 QAUVUEOTOZYTGH-UHFFFAOYSA-N O=C(O)C1(OC2C(O)C(OC(CO)C2O)OC3C(O)C(O)C(OCC(NC(=O)CCCCCCCCCCCCCCCCCCCCCCCC)C(O)CCCCCCCCCCCCC)OC3CO)OC(C(O)C(O)CO)C(N=C(O)C)C(O)C1 530 True True False False False null null 99.1 99.7 null null null 131.61 B. cold 1 625.41058:9482 626.41393:3828 627.41729:1132 0 0 0 0 0 0 0 43979 42863 43782 24543 25177 25018 42036 0 84612 70126 58576 153427 77588 101984 0 0 0 0 0 71104.3463541667 110999.5078125 0 0 35342.5630580357 0 0 13045.658909128 38714.5821387282 0 0 9778.75741332214 520 4.089 626.4267 w/o MS2:HexCer 16:3;2O/12:0;O [M-H]- ion correlated with 465 0.25 False 7.23 626.42743 C34H61NO9 HexCer_HS XGDMHIUIQZOVQR-UHFFFAOYSA-N O=C(NC(COC1OC(CO)C(O)C(O)C1O)C(O)C=CCCC=CCCC=CCCC)C(O)CCCCCCCCCC 530 True True False False False null null 99.7 100 null null null 72.84 B. room temp 1 626.4267:4465 627.43005:1922 628.43341:549 0 0 0 0 0 0 0 11939 10025 11040 11198 10481 12320 11108 0 34658 28514 24543 33109 28142 27544 0 0 0 0 0 29238.14453125 29598.333984375 0 0 11158.7378627232 0 0 5096.09307987006 3055.23466890829 0 0 787.401014541673 521 7.409 626.57312 Cer 38:0;4O|Cer 18:0;3O/20:0;(2OH) [M-H]- ion correlated with 635; similar chromatogram in higher mz_849; adduct linked to 599_[M+FA-H]-; adduct linked to 628_[M+Hac-H]- 0.542 True 11.33 626.57288 C38H77NO5 Cer_AP RYCCNLKFNBMCIU-UHFFFAOYSA-N O=C(NC(CO)C(O)C(O)CCCCCCCCCCCCCC)C(O)CCCCCCCCCCCCCCCCCC 410 True True True False False null null 100 99.9 98.1 74.1 100 125.69 P. cold 2 626.57306:8679 627.57641:4587 628.57977:830 59.01362:28 255.2318:24 281.28598:31 327.30328:11 370.32901:69 395.39606:17 566.97845:42 623.05652:19 623.41022:8 626.3797:8 626.41473:42 626.5722:4696 626.69836:24 626.76221:21 626.86273:28 626.99188:19 627.01599:25 56943 69885 67038 0 0 0 0 28276 30232 27688 30013 29255 28694 28829 0 5644 5353 6293 6140 4237 2874 88339 67876 72723 0 0 5763.03238932292 4416.96549479167 76312.4895833333 64621.98046875 28998.0206473214 0 0 481.209451716587 1640.44078020917 10693.1922863211 6801.12569317173 910.803165568739 522 3.376 627.42664 Unknown [M-H]- adduct linked to 477_[M-H2O-H]- 0.25 True null null null null null null 999 False False False False False null null null null null null null 134.48 B. room temp 2 627.42664:9284 628.42999:4921 629.43335:1313 59.01494:30 112.03897:7 123.0079:35 123.05007:7 135.08272:29 137.06181:25 141.05495:29 151.07617:38 155.24561:8 169.09019:42 175.14651:56 178.08092:12 185.06816:29 185.11784:45 187.0963:82 197.11844:93 199.09769:242 207.10365:8 209.11739:83 225.11348:41 227.12848:42 236.10271:32 243.16934:52 249.15753:16 251.1254:21 259.24487:16 261.16226:34 261.1875:88 279.20206:11 287.12003:15 287.16467:89 293.20905:23 301.21597:38 303.15613:33 303.23386:211 303.61356:19 304.24579:21 305.11557:69 305.17511:1935 305.21118:35 305.57355:13 305.6832:5 305.78015:6 305.99646:14 306.18451:304 306.23224:6 307.17627:26 315.26166:20 321.38715:13 323.12466:57 323.18619:2332 323.26746:8 323.33521:25 323.36008:13 323.40979:16 323.4968:10 323.50922:14 323.57156:6 323.72073:6 323.86978:13 324.18195:84 327.26755:6 331.18655:71 347.18387:52 379.29422:30 381.88278:32 393.272:44 421.30707:88 423.15091:16 423.28961:12 427.32043:19 439.32007:27 455.31555:21 475.38062:11 495.34396:87 507.34732:23 511.34012:40 547.37408:21 547.41339:56 549.38348:21 565.42615:11 591.23486:16 591.29358:51 591.37085:80 591.4035:522 591.47699:28 592.26019:47 592.4165:43 596.75085:21 609.2749:20 609.32782:13 609.3772:105 609.41632:646 610.27319:19 613.41003:13 627.2746:20 627.31787:19 627.42371:225 627.5083:9 627.61212:11 0 0 0 0 0 0 0 19174 21802 19378 14160 13995 14306 15766 0 66947 80940 38631 57799 55605 74600 0 0 0 0 0 62172.5872395833 62668.3020833333 0 0 16940.3585379464 0 0 21554.9130838595 10391.382716832 0 0 3143.46356716781 525 1.366 629.22546 Unknown [M-H]- similar chromatogram in higher mz_1030 0.542 False null null null null null null 999 False False False False False null null null null null null null 118.38 B. cold 1 629.22546:13544 630.22881:7420 631.23217:3590 50 26 42 0 0 0 0 46027 36753 42310 42000 39912 38494 41300 0 107106 60782 32703 121254 73527 72733 136 67 0 0 0 66863.6106770833 89171.6302083333 67.5149052937825 39.4075730641683 40970.8208705357 0 0 37572.2799402886 27787.2883533483 67.9746806870897 12.441370021329 2988.10003390435 526 3.676 629.44189 Unknown [M-H]- ion correlated with 485 0.25 True null null null null null null 999 False False False False False null null null null null null null 123.35 B. room temp 1 629.44183:9583 630.44518:3583 631.44854:779 59.00964:30 97.06095:18 114.10025:18 125.09788:58 125.11316:9 137.05862:66 137.09779:40 153.08791:42 167.10558:64 178.09926:86 180.1153:48 181.11954:17 185.09267:31 185.119:131 185.63226:5 189.72388:23 195.10645:26 197.54662:15 198.77238:13 199.09891:95 203.10863:37 208.10654:24 208.99026:18 209.06171:24 209.11761:375 211.09799:30 217.19073:16 221.15932:14 221.19283:15 225.11444:16 227.1293:26 231.21121:14 245.18803:67 259.23917:12 263.2373:14 269.18442:8 279.2218:99 289.18094:141 293.21445:39 303.2308:336 303.28311:8 307.08548:39 307.1185:74 307.19095:3185 307.25809:7 307.41861:22 307.52161:9 307.60773:10 307.66098:7 307.90771:23 308.19662:73 308.8501:12 315.23471:15 324.19086:60 325.15317:39 325.20102:515 325.48529:12 325.53284:11 343.2179:25 347.25479:43 349.09882:25 349.20212:31 381.23489:58 383.22101:16 417.33008:15 423.30969:71 423.3244:66 425.26172:24 425.30539:47 425.34531:26 429.3425:36 430.23376:9 441.3385:125 443.33292:10 495.3476:73 495.46295:8 505.42709:33 511.33121:36 549.42816:103 575.41199:18 593.3288:29 593.41882:552 593.64722:5 597.18152:5 611.43488:81 0 0 0 0 0 0 0 25563 22105 22940 21996 21415 22474 21041 0 76960 86829 45862 87094 67626 90041 0 0 0 0 0 69884.0442708333 81586.9765625 0 0 22504.9695870536 0 0 21380.6161401454 12179.7557194785 0 0 1488.58814438447 527 2.457 629.45587 Unsettled: FAHFA 20:4/22:6;O [M-H]- 0.542 True 9.49 629.45752 C42H62O4 FAHFA OPTKAJDMZSRTNH-UHFFFAOYSA-N O=C(O)CC(OC(=O)CCCCCCC=CCC=CCC=CCC=CCC)C=CCC=CCC=CCC=CCC=CCC=CCC 530 True True False False True null null 60 99.8 20.8 17.3 50 515.32 B. cold 2 629.45587:32416 630.45922:13416 631.46258:2355 114.625:16 173.07307:30 259.24362:29 285.21677:28 287.22519:19 293.21445:13 303.2326:1364 303.35886:9 304.23758:85 304.41098:5 309.17661:47 309.21274:62 310.21649:23 311.22388:64 335.21991:125 335.69617:7 337.23056:84 392.46017:31 501.36194:11 525.24561:65 539.27582:57 598.23419:24 611.42426:68 611.45038:10 625.25647:14 625.53339:5 625.94012:7 626.14709:9 626.50165:36 628.89972:58 629.021:11 629.2464:54 629.28107:35 629.32257:53 629.4541:16591 629.58875:56 629.64758:79 629.72784:58 629.77063:46 629.81854:56 629.87927:40 629.92798:70 0 0 0 0 0 0 0 191107 175837 175158 171944 180376 183121 176824 0 241427 262937 240268 214993 264492 252737 566 299 238 0 0 248210.65625 244074.151041667 367.779210408529 0 179195.216517857 0 0 12766.4886007514 25861.3233557947 174.394410563219 0 6383.05009717807 528 5.757 629.47705 w/o MS2:RIKEN N-VS1 ID-3423 from Mouse_AdrenalGlands_WT_N_Ctr [M-H]- 0.125 False 8.22 629.47559 Unknown 530 True True False False False null null 98.9 100 null null null 31.09 B. room temp 3 629.47705:3290 630.4804:1605 631.48376:562 230 12 4169 0 0 0 0 12626 12999 11605 10545 11613 11706 11800 0 25916 23885 25025 23412 16574 14528 15 12 18 0 0 24941.953125 18171.322265625 15.0058441162109 1470.05653508504 11841.7380022321 0 0 1017.96891289593 4652.44221687941 2.89743219868096 2339.60217364561 792.134441857366 529 2.206 629.47815 w/o MS2:SE 24:1;O4/15:1;1O [M-H]- 0.042 True 8.73 629.4787 C39H66O6 DCAE SFFYMCWNDANYOU-UHFFFAOYSA-N O=C(O)CCC(C)C1CCC2C3CCC4CC(OC(=O)CCCCCCC(O)C=CCCCCC)CCC4(C)C3CC(O)C12C 530 True True False False False null null 99.9 99.8 null null null 88.14 B. room temp 2 629.47815:4407 630.4815:2120 631.48486:567 59.01228:74 61.8785:28 87.03931:32 100.02099:8 105.82558:23 182.98793:71 195.94209:45 259.24216:92 260.24701:29 261.42026:21 285.22913:30 287.22345:15 303.16785:35 303.19:90 303.2319:1506 303.547:20 304.19153:34 304.23633:113 305.23502:22 305.73022:37 311.2226:53 319.22855:34 335.21735:40 337.23761:37 341.20248:32 349.24042:47 363.75616:34 458.15549:14 533.245:30 581.77979:8 595.41034:17 611.33154:23 611.41766:23 623.4978:64 623.64502:12 626.22717:9 627.42108:11 628.78918:18 628.99731:24 629.05701:26 629.10132:37 629.21411:46 629.45496:17186 629.5885:91 629.64362:56 629.698:62 629.72748:68 629.78229:75 629.8407:55 629.89551:67 629.93384:38 495 237 0 0 0 0 0 21122 13469 13193 11548 12031 11618 11447 0 29593 33776 26374 14786 25594 21961 459 308 592 0 0 29914.4186197917 20780.6617838542 452.777455647786 244.014322916667 13489.7202845982 0 0 3711.11425818876 5499.83961964651 142.036046215876 247.631116974732 3462.05534145707 530 8.078 630.55865 Unknown [M-H]- ion correlated with 961; ion correlated with 784; similar chromatogram in higher mz_577 0.042 False null null null null null null 999 False False False False False null null null null null null null 60.76 P. room temp 1 630.55865:3038 631.562:1668 632.56536:1382 14412 16888 21257 0 0 0 0 1813 1872 1565 1857 1775 2240 2786 514 0 257 0 404 268 723 22041 20599 20033 171.466125488281 0 85.5483703613281 464.916219075521 20890.7890625 17518.8707682292 1986.86125837054 296.988041122684 0 148.17412397054 233.155323715875 1035.72316403512 3465.91868254311 405.362928066155 532 6.128 631.4563 Unknown [M+FA-H]- adduct linked to 560_[M+Hac-H]- 0.125 False null null null null null null 999 False False False False False null null null null null null null 78.58 B. room temp 2 631.4563:4683 632.45965:2721 633.46301:641 5706 6411 5978 0 0 0 0 14945 13981 12579 11153 10891 11400 10114 0 26101 32667 26094 9908 18714 14092 5775 5582 7793 0 0 28287.20703125 14237.7838541667 6382.94514973958 6031.71858723958 12151.8981584821 0 0 3792.67913840471 4404.75938288761 1224.72588324745 355.443295636771 1762.41401830595 533 6.837 631.49432 w/o MS2:SE 24:1;O4/15:0;1O [M-H]- ion correlated with 287; similar chromatogram in higher mz_710 0.333 True 8.96 631.49432 C39H68O6 DCAE VXRRVLAEKIUECK-UHFFFAOYSA-N O=C(O)CCC(C)C1CCC2C3CCC4CC(OC(=O)CCCCCCC(O)CCCCCCC)CCC4(C)C3CC(O)C12C 530 True True False False False null null 100 100 null null null 213.73 P. room temp 1 631.49432:14505 632.49767:8694 633.50103:1367 43.01476:96 44.99722:45 65.04026:38 69.02666:31 69.03528:82 71.01329:32 81.03421:46 83.04981:154 87.00739:28 91.04282:27 93.03512:19 93.04465:9 95.05045:87 109.05593:27 145.06374:47 160.08257:43 163.1133:112 188.39755:15 188.75581:7 189.04681:68 189.09154:8020 189.18445:16 189.20471:12 189.2805:18 189.32237:15 189.38029:61 189.40907:20 189.46622:25 189.48982:9 189.51852:58 189.54309:11 189.64224:32 189.66365:10 189.83263:23 190.09682:83 207.0666:60 207.10249:307 256.23169:24 367.21628:32 367.35712:674 367.44849:28 367.5611:33 631.48572:28 86585 92759 95547 0 0 0 0 26389 24942 24441 25159 24386 24572 22634 0 2280 1222 526 3213 2249 5067 106184 95480 97965 0 0 1342.6064453125 3509.76896158854 99876.3177083333 91630.0520833333 24646.1333705357 0 0 883.564374714288 1432.39646258759 5602.44223307978 4586.31962499966 1122.09180466679 534 7.588 632.5481 Unknown [M+FA-H]- adduct linked to 562_[M+Hac-H]- 0.542 False null null null null null null 999 False False False False False null null null null null null null 78.75 IS 2 632.5481:6639 633.55145:3196 634.55481:692 28312 24788 27277 0 0 32383 45659 27624 22219 21081 18904 17643 18000 18765 0 20464 18885 21180 21660 21802 14825 28750 24162 31830 0 39021.056640625 20175.9973958333 19428.9348958333 28247.1881510417 26792.6634114583 20605.2932477679 0 9387.20988432133 1174.31669141488 3987.4288874557 3858.65989369401 1811.42552660596 3510.56261096499 535 4.929 633.43689 w/o MS2:SG 29:2;O;Hex [M-H]- 0.75 False 8.06 633.43719 C35H58O6 SHex VWDLOXMZIGUBKM-UHFFFAOYSA-N OCC1OC(OC2CC3=CCC4C(CCC5(C)C(CCC45)C(C=CC(CC)C(C)C)C)C3(C)CC2)C(O)C(O)C1O 530 True True False False False null null 100 100 null null null 99.95 B. room temp 2 633.43689:9216 634.44024:4172 635.4436:1041 24561 22735 23279 0 0 0 0 33816 35102 34286 31927 33192 31960 34531 0 65682 69492 61596 30734 33425 30168 33220 33959 37147 0 0 65589.9375 31442.2447916667 34775.31640625 23525.0989583333 33544.8881138393 0 0 3948.81408495655 1739.97071414981 2087.2810203814 937.387001556618 1243.26129561975 536 2.074 633.49133 w/o MS2:AAHFA 26:6/16:2;O [M-H]- 0.292 False 10.54 633.48877 C42H66O4 FAHFA HQZHUGZKGORHEK-UHFFFAOYSA-N O=C(OC(C(=O)O)CCCCCCC=CCC=CCCC)CCCCCCC=CCC=CCC=CCC=CCC=CCC=CCC 530 True True False False False null null 96.8 99.6 null null null 71.56 B. room temp 2 633.49133:4827 634.49468:2534 635.49804:814 0 0 0 0 0 0 0 22431 20390 19001 18635 18139 17163 17016 0 26821 34661 23536 11444 28201 21482 335 528 0 0 0 28339.41796875 20376.0299479167 287.677276611328 0 18967.7583705357 0 0 5715.80350050519 8433.07189711503 267.238590917215 0 1909.6331314043 537 3.34 633.49139 w/o MS2:AAHFA 26:6/16:2;O [M-H]- ion correlated with 548 0.333 False 10.54 633.48877 C42H66O4 FAHFA HQZHUGZKGORHEK-UHFFFAOYSA-N O=C(OC(C(=O)O)CCCCCCC=CCC=CCCC)CCCCCCC=CCC=CCC=CCC=CCC=CCC=CCC 530 True True False False False null null 96.6 99.7 null null null 84.58 B. room temp 2 633.49139:5819 634.49474:4344 635.4981:1020 5364 6350 6735 0 0 0 0 22950 22201 21242 19987 19256 19601 20901 0 36844 42915 35266 28982 31010 29226 5465 5035 6098 0 0 38341.85546875 29739.1458333333 5532.77587890625 6149.76839192708 20877.0641741071 0 0 4038.2903888992 1107.47516149965 534.617138586293 707.589428536132 1368.07751119511 538 2.61 633.51001 Unknown [M-H]- 0.542 True null null null null null null 999 True False False False True null null null null null null null 215.2 B. room temp 2 633.51001:20285 634.51336:10723 635.51672:3862 88.92762:66 158.96941:12 179.09647:30 221.16045:14 277.67606:9 278.27524:33 279.09921:14 279.14053:48 279.23276:12842 279.31134:46 279.35995:22 279.48126:27 279.49832:21 279.62567:26 279.66382:10 279.69348:13 279.74704:19 279.79834:13 279.82788:10 279.93781:28 280.00085:17 280.05899:11 280.0939:5 280.16278:12 280.2384:40 280.31949:7 280.42941:14 280.77682:18 281.51834:28 283.02774:17 283.06845:17 309.20804:9 309.56055:5 315.19305:92 317.21881:9 335.14044:18 335.22238:183 335.95697:27 597.37488:16 615.34491:34 633.2334:16 633.30713:19 633.34534:44 633.41437:69 4566 5111 4981 0 0 0 0 77544 51222 46606 45385 48045 46965 45384 0 125759 141882 110488 83514 90994 81379 8419 10059 7265 0 0 126042.8125 85295.9036458333 8580.59212239583 4886.17073567708 51592.9832589286 0 0 15698.983743671 5049.08027731278 1404.01492840838 284.606589641374 11615.9260461931 539 5.173 635.45294 w/o MS2:SG 29:1;O;Hex [M-H]- similar chromatogram in higher mz_1054; similar chromatogram in higher mz_1278 0.667 False 8.51 635.45282 C35H60O6 SHex NPJICTMALKLTFW-UHFFFAOYSA-N OCC1OC(OC2CC3=CCC4C(CCC5(C)C(CCC45)C(C)CCC(CC)C(C)C)C3(C)CC2)C(O)C(O)C1O 530 True True False False False null null 100 99.9 null null null 83.6 B. room temp 2 635.45294:6365 636.45629:2864 637.45965:570 26692 25880 26108 0 0 0 0 29337 28548 28015 30163 30414 29781 29047 0 42463 47647 40956 21801 24700 23868 31405 32230 32419 0 0 43688.5677083333 23456.2825520833 32017.9986979167 26226.5240885417 29329.2321428571 0 0 3509.96730058732 1492.59553974033 539.551498576069 418.978763589929 865.32201590489 540 7.074 635.48889 w/o MS2:RIKEN N-VS1 ID-3504 from Mouse_AdrenalGlands_fads2KO_N_Ctr [M+FA-H]- adduct linked to 566_[M+Hac-H]- 0.458 False 10.76 635.4892 Unknown 530 True True False False False null null 100 99.9 null null null 92.33 B. room temp 3 635.48889:6567 636.49224:3223 637.4956:640 17325 17651 16916 0 0 0 0 41874 33782 32022 30124 29144 28811 27152 0 59334 62150 61212 43689 47208 40945 17093 18767 19039 0 0 60898.30078125 43947.28515625 18299.6438802083 17297.5260416667 31844.16015625 0 0 1433.98565015968 3139.25207749614 1053.83529589803 368.455310323542 4930.46545125144 541 2.463 635.50769 w/o MS2:FAHFA 20:4/22:3;O [M-H]- 0.542 True 10.87 635.50452 C42H68O4 FAHFA BRCYGLYVZNLVFB-UHFFFAOYSA-N O=C(O)CCCCCCCC(OC(=O)CCCCCCC=CCC=CCC=CCC=CCC)C=CCC=CCC=CCCCCC 530 True True False False False null null 76.3 99.6 null null null 376.55 QC-1 635.50769:23978 636.51104:10257 637.5144:2893 205.17052:5 205.19621:18 259.2395:106 279.19745:17 301.62943:9 302.09171:9 302.44016:10 303.05276:13 303.23257:16393 303.3157:61 303.3392:44 303.41367:42 303.44385:50 303.49268:54 303.5589:14 303.59958:14 303.61914:26 303.65659:31 303.74557:44 303.77545:28 303.81784:31 303.87424:18 303.95245:25 303.9805:17 304.06067:30 304.08875:9 304.12354:52 304.17932:26 304.20944:15 304.23508:204 304.29388:15 304.45624:7 304.48071:7 304.52335:7 304.84259:32 306.26807:35 562.79907:28 635.22913:14 635.29565:23 635.35663:18 635.41754:52 635.51361:58 14445 15810 16640 0 0 0 0 232096 192173 183214 176735 174776 177484 180890 0 212167 217201 209629 163215 197357 197566 22163 22483 20938 0 0 212998.791666667 186045.932291667 21861.3776041667 15631.6334635417 188195.325892857 0 0 3854.14527313882 19772.0909049349 815.543099152283 1108.47781368508 20196.5370005476 542 1.246 637.40918 w/o MS2:PG 20:0_6:0 [M-H]- similar chromatogram in higher mz_580 0.125 False 7.71 637.40863 C32H63O10P PG WRBXGAKFZVYBHJ-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCC)COP(=O)(O)OCC(O)CO)CCCCCCCCCCCCCCCCCCC 530 True True False False False null null 99.8 99.8 null null null 31.07 B. cold 1 637.40918:3838 638.41253:1798 639.41589:1184 0 0 0 0 0 0 0 7185 7404 6944 6463 6516 7029 6545 0 23877 17237 15069 34575 27620 28028 0 0 0 0 0 18727.5859375 30074.43359375 0 0 6869.388671875 0 0 4589.3414874861 3903.36846785094 0 0 367.878150266366 543 3.768 637.44763 w/o MS2:PG O-11:0_16:0 [M-H]- 0.542 True 8.18 637.44501 C33H67O9P EtherPG WSNJOGSHICEGHJ-UHFFFAOYSA-N O=C(OC(COCCCCCCCCCCC)COP(=O)(O)OCC(O)CO)CCCCCCCCCCCCCCC 530 True True False False False null null 71 99.9 null null null 17.68 B. cold 1 637.44763:17886 638.45098:9712 639.45434:2230 59.0142:58 61.98722:13 67.05723:10 83.05254:10 97.02673:38 112.98458:19 115.07654:30 134.22163:10 149.06519:32 150.07104:7 159.11745:5 167.07399:21 167.10628:86 167.12968:7 183.13751:86 193.11427:55 195.10049:71 207.13515:32 208.10603:27 217.16667:17 225.11514:20 231.14188:48 235.1411:47 235.17093:60 235.56519:21 247.17125:71 251.20235:34 253.42455:16 255.23395:43 257.23431:29 261.19202:8 271.11081:28 271.20529:725 271.28152:8 287.2012:97 289.21759:314 291.54312:26 295.16635:6 303.10104:30 303.20703:30 303.23376:340 303.31216:10 305.25009:15 307.22058:18 310.1066:24 314.15546:8 315.11142:22 315.14188:27 315.19681:2342 315.28183:8 315.35989:7 315.40591:20 315.49454:11 315.57776:9 316.0076:11 316.0936:11 316.20673:20 317.2066:33 325.18268:32 331.19205:13 331.41397:9 331.48767:21 332.19266:27 333.11908:24 333.20758:5449 333.31458:14 333.35248:21 333.37692:10 333.40903:26 333.49042:24 333.52286:24 333.61896:14 333.70587:9 333.78162:28 333.91422:7 333.97736:21 333.99445:13 334.21237:54 334.83041:13 334.84747:11 337.95483:34 345.1701:33 351.21606:607 365.22702:29 399.34351:30 481.2739:21 536.97766:30 543.4021:48 577.17773:10 577.33551:29 601.27423:8 601.37054:39 601.45477:11 619.43896:119 636.46313:22 636.77881:6 637.2749:51 637.3396:92 637.40405:196 637.44708:1700 637.56201:7 637.68445:16 637.75415:21 637.86853:10 0 0 0 0 0 0 0 39347 39503 37097 38469 37150 38959 38489 0 98780 97253 80490 128583 97209 100432 0 0 0 0 0 92174.5416666667 108741.549479167 0 0 38430.6238839286 0 0 10147.7065785317 17259.0638441218 0 0 973.994533324294 544 4.012 637.44806 w/o MS2:SE 24:1;O4/16:4;1O [M-H]- ion correlated with 495 0.25 False 8.08 637.44739 C40H62O6 DCAE QGZVMYXEOJTMGJ-UHFFFAOYSA-N O=C(O)CCC(C)C1CCC2C3CCC4CC(OC(=O)CC(O)C=CCC=CCC=CCC=CCC)CCC4(C)C3CC(O)C12C 530 True True False False False null null 99.8 99.9 null null null 9.91 B. cold 1 637.44806:8157 638.45141:3871 639.45477:1086 0 0 0 0 0 0 0 22424 20629 20786 20249 21352 20375 19849 0 44838 46396 36829 65948 61397 63086 0 0 0 0 0 42687.515625 63476.7122395833 0 0 20809.0345982143 0 0 5133.10999449271 2300.58773056168 0 0 852.420695068739 545 7.46 637.50458 w/o MS2:RIKEN N-VS1 ID-3525 from Mouse_BAT_WT_N_Ctr [M+FA-H]- adduct linked to 567_[M+Hac-H]- 0.792 False 11.7 637.49908 Unknown 530 True True False False False null null 86 99.9 null null null 31.34 B. room temp 3 637.50458:6706 638.50793:2961 639.51129:560 29840 28760 30704 0 0 0 0 44565 35303 35395 32096 29263 28928 30051 0 48606 45260 48267 36647 29848 29869 31544 28231 29234 0 0 47377.578125 32121.4166666667 29669.423828125 29767.650390625 33657.2522321429 0 0 1841.92587275672 3919.4057486175 1699.17415201441 974.108836860937 5504.81678241957 546 2.821 637.52307 w/o MS2:FAHFA 20:3/22:3;O [M-H]- 0.542 True 11.41 637.52008 C42H70O4 FAHFA UJNAZNNQDUHHRA-UHFFFAOYSA-N O=C(O)CCCCCCCC(OC(=O)CCCCCCCCCC=CCC=CCC=CCC)C=CCC=CCC=CCCCCC 530 True True False False False null null 76.6 99.6 null null null 26.31 B. room temp 2 637.52307:9925 638.52642:5306 639.52978:1319 44.99447:34 125.00477:5 167.10789:46 174.05049:52 255.23222:22 287.16422:51 287.22333:22 303.22849:43 303.70358:10 304.2338:10 305.24783:7595 305.32797:19 305.39786:20 305.4447:9 305.47055:47 305.53714:16 305.58176:11 305.62155:40 305.6608:52 305.72424:18 305.7605:7 305.79138:10 305.82486:10 305.86301:16 306.0506:11 306.11121:25 306.24408:43 307.21234:14 319.16016:11 343.14243:11 363.18192:27 577.56848:45 586.03839:22 616.91473:24 617.00055:16 619.31158:22 619.41473:16 620.36298:33 637.38104:34 637.43848:47 637.52008:44 637.75012:12 2569 1770 1697 0 0 0 0 46129 40542 38855 37046 35345 35724 36741 0 70375 82697 66902 46874 62585 55783 3105 3058 2997 0 0 73324.5598958333 55080.3346354167 3053.52652994792 2011.9453531901 38625.9988839286 0 0 8300.39243203092 7878.92402204372 53.9639357976551 483.803371062832 3769.28322566667 547 1.178 639.36719 w/o MS2:LPG 28:6 [M-H]- ion correlated with 551; ion correlated with 473 0.25 False 7.08 639.3667 C34H57O9P LPG OMTXNKAVNRNABX-UHFFFAOYSA-N O=C(OCC(O)COP(=O)(O)OCC(O)CO)CCCCCCCCC=CCC=CCC=CCC=CCC=CCC=CCC 530 True True False False False null null 99.9 99.8 null null null 124.44 B. cold 2 639.36719:7961 640.37054:4230 641.3739:6943 0 0 0 0 0 0 0 17434 17948 17912 15525 15487 17164 15919 0 59893 39861 35690 39764 58008 53140 0 0 0 0 0 45147.83203125 50304.1341145833 0 0 16769.7346540179 0 0 12938.9617521082 9446.6865053275 0 0 1095.99226310543 548 3.321 639.53784 w/o MS2:AAHFA 28:5/14:0;O [M-H]- ion correlated with 537 0.25 False 12.33 639.53583 C42H72O4 FAHFA PTVSWUSKYXPTQJ-UHFFFAOYSA-N O=C(OC(C(=O)O)CCCCCCCCCCCC)CCCCCCCCCCCC=CCC=CCC=CCC=CCC=CCC 530 True True False False False null null 98 99.6 null null null 87.51 B. room temp 2 639.53784:5212 640.54119:2953 641.54455:677 3298 3523 3758 0 0 0 0 21241 19772 21292 18316 18130 18850 19735 0 33668 40304 31998 30072 36651 30765 4588 4711 4968 0 0 35323.12890625 32496.1966145833 4755.57633463542 3526.57747395833 19619.4771205357 0 0 4393.66387615767 3615.23712226676 194.078224084031 230.07614743098 1289.21946083867 549 7.649 640.58813 w/o MS2:Cer 12:0;3O/27:0;(2OH) [M-H]- ion correlated with 822; ion correlated with 240; similar chromatogram in higher mz_809; similar chromatogram in higher mz_920 0.25 False 11.69 640.5885 C39H79NO5 Cer_AP UVJIZYHAMUHMSR-UHFFFAOYSA-N O=C(NC(CO)C(O)C(O)CCCCCCCC)C(O)CCCCCCCCCCCCCCCCCCCCCCCCC 530 True True False False False null null 99.9 99.9 null null null 123.79 P. room temp 1 640.58813:7813 641.59148:3595 642.59484:1016 33700 40437 47014 0 0 0 0 13584 15271 15455 13911 13311 12987 14522 0 326 835 259 255 846 280 55167 40967 48070 0 0 473.325592041016 460.006546020508 48068.2096354167 40383.8841145833 14148.5929129464 0 0 315.36351445339 334.362836919206 7099.83807195522 6656.94165784612 960.385370177 550 8.084 640.58905 w/o MS2:Cer 12:0;3O/27:0;(2OH) [M+FA-H]- ion correlated with 653; adduct linked to 571_[M+Hac-H]- 0.542 True 11.69 640.5885 C39H79NO5 Cer_AP UVJIZYHAMUHMSR-UHFFFAOYSA-N O=C(NC(CO)C(O)C(O)CCCCCCCC)C(O)CCCCCCCCCCCCCCCCCCCCCCCCC 530 True True False False False null null 99.9 99.9 null null null 293.67 P. room temp 1 640.58905:32711 641.5924:22023 642.59576:4234 44.99787:2407 45.0115:22 45.03236:8 45.14986:9 293.27982:82 336.32425:29 342.12781:44 365.26099:22 376.80038:14 382.89505:21 392.22113:16 505.37842:30 573.23199:24 576.56268:7 594.31146:35 594.40454:41 594.58221:4345 594.76685:27 594.91852:14 594.96069:18 594.99438:19 595.03632:6 595.0871:12 595.22168:19 595.25574:7 595.37341:44 595.46649:26 595.58063:90 595.60181:27 595.64355:13 595.89648:11 595.99768:16 619.88635:18 621.92572:18 636.53186:19 637.00269:7 640.03247:92 640.30145:29 640.35236:22 640.40771:28 640.4798:86 640.58807:7151 640.72327:45 640.78455:60 640.83698:32 640.87201:36 640.95947:102 641.05426:35 136180 153638 214455 0 0 0 0 42305 38737 36463 33670 33986 33420 34345 0 12089 10758 9595 10461 10452 8648 236331 171189 198967 0 0 10813.7594401042 9853.6015625 202162.484375 168090.90625 36132.2377232143 0 0 1247.75910967528 1044.28234282452 32688.5307196032 41090.0547491018 3322.21868555816 551 1.221 641.38251 w/o MS2:PG O-8:0_20:5 [M-H]- ion correlated with 137; ion correlated with 585 0.5 False 7.08 641.38239 C34H59O9P EtherPG QHMSZMPTAYSASA-UHFFFAOYSA-N O=C(OC(COCCCCCCCC)COP(=O)(O)OCC(O)CO)CCCC=CCC=CCC=CCC=CCC=CCC 530 True True False False False null null 100 99.8 null null null 95.05 B. cold 2 641.38251:9461 642.38586:3684 643.38922:1254 0 0 0 0 0 0 0 28148 27439 25058 26306 27246 25840 23922 0 72935 61090 53790 70000 76229 71609 0 0 0 0 0 62604.8515625 72612.8411458333 0 0 26279.8275669643 0 0 9661.62559948188 3233.47872055962 0 0 1472.75682243749 553 4.069 642.42151 w/o MS2:HexCer 16:3;3O/12:0;(2OH) [M-H]- 0.042 False 6.81 642.4223 C34H61NO10 HexCer_AP PRWLFJCADFZHSD-UHFFFAOYSA-N O=C(NC(COC1OC(CO)C(O)C(O)C1O)C(O)C(O)C=CCCC=CCCC=CCC)C(O)CCCCCCCCCC 530 True True False False False null null 99.7 100 null null null 63.9 B. cold 3 642.42151:3210 643.42486:1434 644.42822:404 0 0 0 0 0 0 0 4891 6024 5037 5321 4529 5016 6007 0 20197 21743 10235 24971 20760 28548 0 0 0 0 0 17391.7086588542 24759.8092447917 0 0 5260.51067243304 0 0 6245.79935643087 3898.45726514696 0 0 566.338890733976 554 5.666 643.4574 Unknown [M-H]- 0.708 False null null null null null null 999 False False False False False null null null null null null null 103.73 B. room temp 2 643.4574:11537 644.46075:5716 645.46411:1650 21222 20907 21569 0 0 0 0 36931 30858 30788 31126 31596 29519 29934 0 66293 83470 71765 25572 46544 37875 25148 19167 25961 0 0 73842.375 36663.744140625 23425.60546875 21232.8196614583 31535.9450334821 0 0 8775.16006491021 10538.4082089811 3710.04751684344 331.162663492377 2481.22094593796 555 6.543 643.52545 w/o MS2:SE 24:1;O4/17:0 [M-H]- 0.458 False 9.38 643.5307 C41H72O5 DCAE WJNYMSUFRNQUQB-UHFFFAOYSA-N O=C(O)CCC(C)C1CCC2C3CCC4CC(OC(=O)CCCCCCCCCCCCCCCC)CCC4(C)C3CC(O)C12C 530 True True False False False null null 87.1 100 null null null 55.03 IS 1 643.52545:6519 644.5288:2492 645.53216:232 39067 39440 38327 0 0 68035 69793 31117 26808 26992 27274 27610 29144 25022 0 17207 15224 23877 27205 23469 15509 38849 35818 33670 0 68914.19140625 18769.4322916667 22061.1731770833 36112.1354166667 38944.4778645833 27709.5435267857 0 1243.30916792334 4532.77399954553 5973.61740949408 2601.94285005951 566.48519851638 1932.80301029269 557 3.212 644.58502 Unknown [M-H]- 0.542 True null null null null null null 999 False False False False False null null null null null null null 142.94 QC-1 644.58484:9029 645.58819:6313 646.59155:2088 30.83561:30 108.00828:30 123.40718:30 237.10036:43 279.23251:18 279.78159:46 280.97348:24 281.16739:117 281.24768:11520 281.31946:43 281.33304:67 281.4447:31 281.49213:14 281.52982:26 281.5741:28 281.59937:15 281.65738:7 281.70374:5 281.71536:10 281.74829:14 281.7742:17 281.8201:12 281.91864:17 281.99426:27 282.13309:26 282.17371:17 282.20856:23 282.25076:344 282.45837:6 282.53952:22 284.3779:14 341.03632:27 461.08682:15 580.96967:16 581.39429:10 584.40594:17 644.34186:30 644.41083:13 644.60492:9 11677 12826 12557 0 0 1048 3588 72597 48856 42468 42323 44329 41266 43837 0 85305 92714 77468 77539 94071 59079 12083 11334 12222 0 2318.09802246094 85162.4348958333 76896.2604166667 11879.7392578125 12353.2542317708 47953.5965401786 0 1796.43498846544 7623.8058511258 17504.851800714 477.737514730945 600.7966645241 11141.0337653435 558 1.216 645.35565 w/o MS2:PA 15:3_18:5 [M-H]- ion correlated with 515 0.25 False 7.11 645.3562 C36H55O8P PA NTKAKXDIHGKMKE-UHFFFAOYSA-N O=C(OC(COC(=O)CCCCC=CCC=CCC=CCC)COP(=O)(O)O)CC=CCC=CCC=CCC=CCC=CCC 530 True True False False False null null 99.8 99.8 null null null 25.89 B. room temp 1 645.35565:5147 646.359:2192 647.36236:804 0 0 0 0 0 0 0 18351 16068 15960 14669 15504 15183 15126 0 39793 35997 30305 27431 31372 32771 0 0 0 0 0 35365.1204427083 30525.0944010417 0 0 15837.4200613839 0 0 4775.32262881211 2768.99864739559 0 0 1210.92567259776 559 2.452 645.42902 w/o MS2:GM3 44:1;2O [M-H]- 0.542 True 10.52 645.42761 C67H124N2O21 GM3 KRONWUCYIFPXBL-UHFFFAOYSA-N O=C(O)C1(OC2C(O)C(OC(CO)C2O)OC3C(O)C(O)C(OCC(NC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCC)C(O)C=CCCCCCCCCCCC)OC3CO)OC(C(O)C(O)CO)C(N=C(O)C)C(O)C1 530 True True False False False null null 99.4 99.7 null null null 121.49 B. room temp 2 645.42902:20338 646.43237:8191 647.43573:2614 59.01488:42 59.37378:14 105.07334:28 195.07726:22 205.19547:97 259.11664:35 259.22769:60 259.24463:301 261.17316:13 263.16522:19 291.19171:33 295.23062:12 302.1803:9 303.12576:63 303.15704:79 303.18561:234 303.23285:10718 303.32449:45 303.34702:23 303.36664:25 303.42087:14 303.45886:52 303.52896:31 303.55658:20 303.59128:35 303.61926:26 303.7074:5 303.75296:6 303.84195:14 303.89026:24 303.92642:16 303.95056:16 303.97787:24 304.05896:9 304.14331:11 304.2016:11 304.23505:100 304.4025:10 305.4071:12 307.18808:5 325.1019:26 335.22433:89 341.10818:74 341.20886:21 353.15463:42 367.21313:32 418.98373:8 582.34491:12 607.40778:61 645.2207:19 645.27258:30 645.35748:64 645.39417:138 645.42529:1236 645.56195:5 645.6322:18 645.66266:7 645.69366:25 645.89624:15 0 0 0 0 0 0 0 58081 53559 55178 51283 55933 57733 54425 0 71655 167022 109707 108401 70844 70167 0 409 0 0 0 116128.036458333 83137.234375 136.166788736979 0 55170.3180803571 0 0 48006.5583206658 21881.9261973024 235.847796395945 0 2376.30303134098 560 6.125 645.47321 Unknown [M+Hac-H]- adduct linked to 532_[M+FA-H]- 0.708 True null null null null null null 999 True False False False True null null null null null null null 90.28 B. room temp 2 645.47321:21435 646.47656:11752 647.47992:2163 59.01391:8879 59.05014:26 59.07803:12 59.08392:45 59.11314:12 59.12655:17 59.148:11 59.1716:20 59.21945:47 59.24413:9 59.27755:5 59.36313:25 59.44042:11 59.50969:27 255.23216:61 271.18661:18 285.1882:14 329.17035:51 391.28506:15 409.2319:22 505.3851:16 620.34387:20 645.37799:43 645.44714:371 645.53564:15 645.79895:10 22362 22897 23933 0 0 0 0 52864 46191 46161 41532 46408 47435 45472 0 111816 147726 117592 48602 79871 65044 25922 20749 28718 0 0 125711.526041667 64505.7825520833 25129.677734375 23063.861328125 46580.3342633929 0 0 19282.8319905006 15641.7630363303 4042.88010489182 798.864213543867 3348.64227416981 561 7.826 646.55493 Unknown [M-H]- ion correlated with 823 0.167 False null null null null null null 999 False False False False False null null null null null null null 121.04 P. room temp 1 646.55493:6794 647.55828:4763 648.56164:4117 28794 31326 40568 0 0 33 72 7243 7704 7662 6493 7577 6722 6905 0 1019 1079 796 1380 996 803 45973 35953 38789 0 52.2357482910156 964.718078613281 1059.2451171875 40238.1705729167 33562.7740885417 7186.61467633929 0 27.8982735500597 149.122464047127 293.74277873913 5164.91970528263 6197.58343411915 487.303775351236 562 7.59 646.56555 Unknown [M+Hac-H]- adduct linked to 534_[M+FA-H]- 0.875 True null null null null null null 999 False False False False False null null null null null null null 649.06 P. cold 1 646.56494:37483 647.56829:20618 648.57165:3274 58.92456:21 58.98552:67 59.014:16184 59.05413:43 59.07309:53 59.0906:38 59.10489:18 59.12162:19 59.13977:18 59.16627:27 59.18726:21 59.20573:28 59.25917:5 59.26897:10 59.31242:8 59.34702:24 59.36016:7 59.40073:5 59.44305:14 59.52927:22 59.75147:11 59.95015:24 60.0171:76 60.39509:17 97.03003:26 158.97408:25 255.23161:59 288.29492:60 327.22913:26 467.18008:25 610.55298:49 646.52722:16 266202 264015 291292 0 0 237719 355868 215447 181987 181578 171218 173391 174951 175872 0 196536 205434 216566 216009 240968 147614 281621 243012 286664 0 296793.3828125 206178.473958333 201530.328125 270432.322916667 273835.947916667 182063.345982143 0 83544.0806243874 10036.1083916773 48331.6573674392 23879.9733745348 15156.444018872 15255.7433004547 564 6.578 647.4884 w/o MS2:RIKEN N-VS1 ID-3653 from Mouse_AdrenalGlands_WT_N_Ctr [M-H]- 0.625 False 7.66 647.48938 Unknown 530 True True False False False null null 99.5 100 null null null 108.75 B. room temp 2 647.4884:11503 648.49175:6150 649.49511:1174 22468 22615 21238 0 0 0 0 44343 43875 42311 38007 37446 40630 40070 0 78027 89299 83775 31960 41195 39765 27018 22408 31705 0 0 83700.3723958333 37639.78125 27043.65625 22106.9694010417 40954.6266741071 0 0 5636.35697088275 4970.70176757257 4648.94302853602 756.057124493369 2699.96891010503 566 7.07 649.50568 Unknown [M+Hac-H]- adduct linked to 540_[M+FA-H]- 0.792 True null null null null null null 999 True False False False True null null null null null null null 513.07 B. room temp 2 649.50568:52727 650.50903:32251 651.51239:5620 34.969:32 58.9857:36 59.01402:23534 59.08019:34 59.10305:26 59.11581:15 59.12846:30 59.15125:33 59.1663:29 59.17705:19 59.19288:25 59.2061:19 59.22201:22 59.24942:14 59.26632:9 59.28047:14 59.29617:22 59.31581:20 59.36581:35 59.3951:7 59.45552:8 59.47502:31 59.52299:19 59.55232:10 59.56566:21 59.60033:20 59.73112:26 60.01721:71 61.25766:5 91.00353:45 189.16724:7 255.29413:24 277.21112:25 381.36273:21 474.40131:13 482.93649:13 534.98547:28 636.46399:60 649.38293:43 649.41669:41 649.46613:42 649.50037:177 103468 103221 109137 238 0 502 977 231794 211197 202650 183161 179284 190203 190874 0 420898 456663 400793 297658 325163 290542 107310 97732 105838 79.4664408365885 739.290466308594 426118.03125 304453.9375 103626.8125 105275.46875 198451.834821429 137.639913025638 335.993802371797 28298.1969925351 18283.6867014152 5157.72380205632 3346.55441967192 18341.5608917615 567 7.458 651.52051 Unknown [M+Hac-H]- adduct linked to 545_[M+FA-H]-; similar chromatogram in higher mz_1240 0.792 True null null null null null null 999 False False False False False null null null null null null null 827.76 P. cold 1 651.52075:32592 652.5241:14729 653.52746:2803 55.01573:89 58.79727:17 59.01388:13013 59.03607:141 59.05547:47 59.09472:21 59.11034:7 59.13588:17 59.1453:15 59.16403:24 59.17192:21 59.18475:21 59.19569:24 59.21339:14 59.2233:13 59.24591:13 59.28847:12 59.30702:9 59.37181:19 59.47486:33 59.5171:7 59.64875:6 60.03138:10 134.15945:5 279.23438:16 389.2908:55 392.28955:15 427.81461:50 505.37262:17 583.29584:10 591.57727:33 631.00562:7 651.51172:91 651.60602:35 228701 230308 241887 0 0 0 0 306092 268288 261726 250819 255824 259055 268208 0 425538 445657 427804 342364 304602 280352 251693 252173 240254 0 0 432999.520833333 309105.90625 248039.927083333 233631.854166667 267144.613839286 0 0 11020.152996521 31250.1947509088 6746.94527930144 7193.99739672087 18297.8087276421 568 7.94 652.58801 w/o MS2:Cer 12:1;3O/28:0;(2OH) [M-H]- 0.167 False 11.81 652.5885 C40H79NO5 Cer_AP IVBPCSWPBRVBNJ-UHFFFAOYSA-N O=C(NC(CO)C(O)C(O)CCCC=CCCC)C(O)CCCCCCCCCCCCCCCCCCCCCCCCCC 530 True True False False False null null 99.9 99.9 null null null 70.2 B. room temp 1 652.58801:4182 653.59136:1896 654.59472:3922 5650 7396 9216 0 0 0 0 8502 7083 7792 7807 8659 9348 8907 0 30907 26252 19544 22740 23188 19014 11064 6507 9462 0 0 25567.4322916667 21647.455078125 9011.02099609375 7420.68701171875 8299.85511997768 0 0 5712.32476359377 2291.31238526752 2311.85452364511 1783.07037880376 776.506614561227 569 4.978 653.51093 w/o MS2:NAGlySer 8:0;O(FA 24:0) [M-H]- 0.25 False 8.72 653.51099 C37H70N2O7 NAGlySer GHEGTAXRPQERKY-UHFFFAOYSA-N O=C(OC(CCC)CCCC(=O)NCC(=O)NC(C(=O)O)CO)CCCCCCCCCCCCCCCCCCCCCCC 530 True True False False False null null 100 99.9 null null null 104.57 B. cold 1 653.51093:7038 654.51428:5115 655.51764:860 0 0 0 0 0 0 0 6586 7386 6703 7174 7096 6358 6281 0 37480 39314 27322 44599 30007 25288 0 0 0 0 0 34705.5104166667 33297.7259114583 0 0 6797.74665178571 0 0 6459.57403224192 10067.2666691567 0 0 426.468609732533 570 7.849 653.53528 Unknown [M-H]- 0.667 False null null null null null null 999 False False False False False null null null null null null null 97.21 P. cold 3 653.53528:9077 654.53863:6514 655.54199:1385 51926 55375 62469 579 0 0 0 28924 29673 26319 25059 24111 23708 24978 0 32037 32082 27422 18932 17910 17711 35481 31634 32723 192.905721028646 0 30513.7532552083 18184.0755208333 33279.341796875 56590.0794270833 26110.10546875 334.122509892323 0 2677.49287214877 654.946645868018 1983.20411586831 5375.60871091386 2338.38993183364 571 8.083 654.60492 w/o MS2:Cer 12:0;3O/28:0;(2OH) [M+Hac-H]- adduct linked to 550_[M+FA-H]- 0.708 True 12.38 654.60419 C40H81NO5 Cer_AP MHLZDWWJWWLEEU-UHFFFAOYSA-N O=C(NC(CO)C(O)C(O)CCCCCCCC)C(O)CCCCCCCCCCCCCCCCCCCCCCCCCC 530 True True False False False null null 99.8 99.9 null null null 729.23 P. room temp 1 654.60492:98137 655.60827:67933 656.61163:14356 48.76901:29 57.03542:28 57.97085:39 58.14725:14 59.01412:7336 59.04537:20 59.05188:26 59.08641:19 59.09703:14 59.13423:25 59.14785:10 59.22203:16 59.24318:11 59.26721:14 59.2754:16 59.33102:16 59.37404:11 59.44029:6 59.4722:8 59.49827:6 59.60015:15 59.62149:19 60.01466:24 144.02051:16 180.43491:32 239.23788:181 275.8129:16 293.28378:318 293.67795:8 300.28784:120 310.31268:72 311.25168:69 311.29617:237 314.48514:17 320.59348:37 336.29495:164 336.32596:868 336.82455:14 337.00818:21 352.32156:275 352.45618:11 354.33987:52 362.26065:15 452.95139:24 463.46536:10 466.94086:8 493.99066:27 504.05069:26 546.55896:267 547.57294:34 562.55518:521 562.71167:24 563.36023:11 574.56421:15 576.38788:6 576.57068:59 590.83917:21 590.91376:9 591.06439:7 591.21564:56 591.39209:21 591.69556:22 591.83752:11 592.17096:12 592.96991:5 593.14966:30 593.33228:18 593.60559:7 594.08411:6 594.1145:17 594.23419:17 594.29749:43 594.36646:67 594.42206:230 594.5835:59005 595.05957:25 595.09802:28 595.13306:33 595.19153:93 595.24237:38 595.32672:17 595.35828:29 595.40186:36 595.42474:43 595.46564:50 595.58423:1221 595.70221:71 595.745:46 595.83496:49 595.90399:31 595.96552:27 596.00537:28 596.1156:73 596.2019:44 596.25842:21 596.27637:34 596.37866:18 596.44464:34 596.4953:21 596.55634:14 596.61395:7 596.68097:41 596.77405:27 596.85162:19 596.94269:7 597.03552:34 597.16223:5 597.22131:9 597.31:9 597.526:11 597.56757:9 597.65979:15 597.72809:5 597.84637:11 597.92334:10 598.26044:25 598.29425:15 598.4035:9 599.35968:11 599.84985:9 602.94336:26 613.78424:9 633.41302:14 636.52856:11 654.51086:49 654.60211:337 655.10339:13 447721 518221 707395 315 0 0 0 140325 135458 134354 123572 120848 130718 125098 0 53800 46302 42762 42933 42895 33978 760569 559810 638854 104.991994222005 0 47621.46875 39935.1302083333 653077.75 557778.979166667 130053.291294643 181.851468380491 0 5635.68249042552 5159.17864577457 101132.566102597 134280.403914854 7129.17925350224 572 7.903 654.60498 Cer 40:0;4O|Cer 18:0;3O/22:0;(2OH) [M-H]- adduct linked to 694_[M+Hac-H]-; adduct linked to 658_[M+FA-H]-; found in higher mz's MsMs_658 0.542 True 12.5 654.60419 C40H81NO5 Cer_AP XJDLBNONNWFVMN-UHFFFAOYSA-N O=C(NC(CO)C(O)C(O)CCCCCCCCCCCCCC)C(O)CCCCCCCCCCCCCCCCCCCC 410 True True True False False null null 100 99.9 100 77.7 100 800.56 P. room temp 1 654.60468:66777 655.60803:37737 656.61139:9209 42.03499:36 44.99756:12 58.02953:20 59.01336:251 59.05891:5 60.01793:86 72.04165:20 100.59167:36 117.4627:6 133.65694:28 165.70242:14 207.09196:40 207.10982:19 225.21869:27 255.23143:174 267.2319:75 280.2626:38 284.24985:24 308.254:75 309.31406:161 316.28336:36 323.34015:28 330.07291:8 337.28104:29 337.30618:49 339.33255:32 355.32092:404 355.39447:13 355.57037:30 356.15701:28 356.32141:39 356.5751:13 362.31982:20 362.35001:11 369.27216:35 398.36288:119 410.36227:195 463.34869:5 491.38168:6 505.3392:12 507.36868:39 594.16833:18 594.57306:100 618.59613:6 636.58099:26 636.61859:31 650.16016:25 650.36157:10 650.44177:8 650.59174:17 650.77234:7 651.93311:14 651.98218:10 652.04675:16 652.51453:30 653.20294:12 653.37219:15 653.92755:13 654.04022:8 654.19293:40 654.27222:30 654.30756:15 654.3606:41 654.40381:95 654.60278:41657 654.93073:91 654.98962:68 655.05798:101 655.09448:122 391756 403957 451016 322 0 0 0 146659 166594 166925 157143 159817 152032 165343 0 27130 22992 23462 21350 19720 17010 453598 323424 470553 107.385833740234 0 24527.755859375 19359.8600260417 415858.229166667 415576.604166667 159216.160714286 185.99772005123 0 2265.49493317636 2192.12127510284 80498.2751874148 31292.2401268209 7803.39603139946 574 7.642 656.58337 w/o MS2:Cer 12:0;2O/25:0;(2OH) [M+FA-H]- ion correlated with 604; adduct linked to 593_[M+CH3COO]- 0.25 False 11.34 656.5835 C37H75NO4 Cer_ADS XLQUBEVBFIQMBR-UHFFFAOYSA-N O=C(NC(CO)C(O)CCCCCCCCC)C(O)CCCCCCCCCCCCCCCCCCCCCCC 530 True True False False False null null 100 99.9 null null null 182.68 P. room temp 1 656.58337:11434 657.58672:6576 658.59008:1057 47982 57753 65121 0 0 0 0 25066 23663 22623 20779 23465 19590 19997 0 9143 8458 9083 8347 5537 4512 77691 55831 70026 0 0 8894.74967447917 6131.93570963542 67849.2630208333 56951.95703125 22168.91796875 0 0 379.855605750133 1985.95770028696 11091.7819161292 8597.10394088052 2074.14859973778 575 7.831 656.58441 w/o MS2:Cer 12:0;2O/25:0;(2OH) [M-H]- ion correlated with 605; ion correlated with 483 0.167 True 11.34 656.5835 C37H75NO4 Cer_ADS XLQUBEVBFIQMBR-UHFFFAOYSA-N O=C(NC(CO)C(O)CCCCCCCCC)C(O)CCCCCCCCCCCCCCCCCCCCCCC 530 True True False False False null null 99.8 99.9 null null null 246.24 P. room temp 1 656.58441:16578 657.58776:9951 658.59112:2056 45.06182:10 59.01228:26 113.07977:25 251.00417:17 257.09448:37 268.2392:33 283.19003:38 300.28622:27 309.28647:31 310.61874:7 313.59164:53 327.28613:81 328.28574:38 335.09872:6 352.32523:60 356.34406:27 368.3157:12 431.07086:18 464.27942:21 478.27658:32 506.31952:26 577.10553:17 592.57019:14 596.36902:102 606.42761:12 607.31293:15 608.57812:6 610.07507:17 610.33112:20 610.40845:70 610.45496:142 610.57812:11936 610.69843:63 610.73212:54 610.79419:20 610.86163:19 610.92023:41 610.96313:44 611.00909:46 611.05341:30 611.10986:28 611.16797:30 611.20215:40 611.23608:29 611.28687:20 611.32178:18 611.4101:26 611.50037:33 611.57996:182 611.64709:21 611.71521:14 611.75909:17 611.78857:31 611.88574:19 611.92853:11 611.96661:6 612.01825:18 612.1593:29 612.20209:15 612.2876:7 612.35596:7 612.39874:26 612.48425:34 612.81781:9 613.3739:28 613.81049:17 617.1709:15 620.33398:9 655.60815:17 656.35938:13 656.52875:33 656.60968:185 54207 62690 81258 0 0 0 0 21657 17928 19380 20954 14288 18153 16467 0 5558 4261 5174 9017 5824 5020 106604 65660 89578 0 0 4997.74625651042 6620.30875651042 87280.8567708333 66051.9817708333 18404.0157645089 0 0 665.935169874531 2113.90088546867 20568.3986573525 13834.9953641714 2550.27190790491 576 2.573 657.5108 w/o MS2:SE 24:1;O4/17:1;1O [M-H]- 0.542 True 8.84 657.51001 C41H70O6 DCAE OOKSKGCNUVKAQU-UHFFFAOYSA-N O=C(O)CCC(C)C1CCC2C3CCC4CC(OC(=O)CCCCCCC(O)C=CCCCCCCC)CCC4(C)C3CC(O)C12C 530 True True False False False null null 99.8 99.8 null null null 200.13 B. room temp 2 657.5108:46433 658.51415:28851 659.51751:5859 69.08541:14 90.24128:17 159.00781:12 277.61856:13 277.78458:22 278.09665:26 278.17731:31 278.49438:13 278.63828:13 279.08319:23 279.11752:9 279.23358:48066 279.47519:13 279.50143:40 279.5285:29 279.56305:45 279.60681:28 279.64789:19 279.68204:20 279.71707:28 279.73547:25 279.79218:39 279.87363:61 279.94009:44 279.96545:42 279.99081:27 280.0188:71 280.04614:23 280.09689:16 280.1615:21 280.23483:409 280.26898:17 280.29074:10 280.36008:10 280.42371:25 280.45413:13 280.49078:8 280.56262:25 280.60275:14 280.63205:12 280.7739:17 280.91559:8 280.97949:8 281.08945:5 281.35031:14 281.61246:8 281.88965:13 281.9592:26 282.38437:13 303.20145:76 303.23364:428 303.94449:9 304.22775:29 307.26682:17 322.58353:8 438.2601:17 597.3667:43 657.32697:57 657.36859:59 657.44025:776 657.49847:49 657.77887:13 1109 1458 1024 0 0 0 0 161840 117505 116065 114741 109876 98326 106225 0 302287 325074 279510 195274 224752 207123 3313 3434 3016 0 0 302290.458333333 209049.598958333 3254.37565104167 1196.91756184896 117796.842633929 0 0 22782.1721051879 14833.0791895921 214.855888441654 229.779011868405 20526.2698586729 577 8.077 657.58038 w/o MS2:AAHFA 28:3/15:0;O [M-H]- ion correlated with 624 0.25 False 13.22 657.5827 C43H78O4 FAHFA AZFQIVVGHWAGED-UHFFFAOYSA-N O=C(OC(C(=O)O)CCCCCCCCCCCCC)CCCCCCCCCCCCC=CCC=CCC=CCCCCCCC 530 True True False False False null null 97.3 99.9 null null null 80.22 P. cold 3 657.58038:11596 658.58373:6624 659.58709:1809 56793 63077 82223 620 542 0 277 9403 11981 12285 11222 11326 12069 12810 1118 2938 2616 1767 2813 1841 2404 83902 66701 75518 760.011901855469 138.654083251953 2440.38920084635 2352.76082356771 75373.4583333333 67364.34375 11585.1519252232 312.428335424764 196.08648501332 604.965054131072 487.887947238225 8601.31106532608 13246.3754539234 1106.24220406953 578 1.499 659.23541 Unknown [M-H]- 0.542 False null null null null null null 999 False False False False False null null null null null null null 120.75 B. cold 1 659.23541:13716 660.23876:7865 661.24212:3386 264 309 262 0 0 0 0 34778 32075 33748 32072 30254 32282 33053 0 95509 78424 79803 110204 49927 56027 833 0 0 0 0 84578.4427083333 72052.578125 277.815795898438 278.181345621745 32608.7770647321 0 0 9491.16850322124 33180.645703964 481.191073641279 26.3417208819661 1439.11105003165 579 5.304 659.46472 w/o MS2:NAGlySer 9:0;O(FA 24:4) [M-H]- 0.125 False 8.26 659.46411 C38H64N2O7 NAGlySer ICSCJSVNJWKNMQ-UHFFFAOYSA-N O=C(OC(CCCC(=O)NCC(=O)NC(C(=O)O)CO)CCCC)CCCCCCCCCCC=CCC=CCC=CCC=CCC 530 True True False False False null null 99.8 100 null null null 30.48 P. cold 2 659.46472:4272 660.46807:2125 661.47143:598 29927 32004 29550 0 0 0 0 10454 9980 9735 9370 9834 10950 11952 0 0 0 1439 5519 4491 753 12337 8705 21482 0 0 479.723185221354 3587.67291259766 14174.6627604167 30493.5052083333 10325.0908203125 0 0 830.90493037216 2508.02630082925 6584.15191399272 1321.30203866725 882.570770587993 580 1.254 661.40906 w/o MS2:PG 6:0_22:2 [M-H]- 0.167 False 7.69 661.40863 C34H63O10P PG JRFNIFSQKOLNNP-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCCCCCCC=CCC=CCCCCC)COP(=O)(O)OCC(O)CO)CCCCC 530 True True False False False null null 99.9 99.8 null null null 130.1 B. cold 2 661.40906:8230 662.41241:3746 663.41577:1230 0 0 0 0 0 0 0 12348 12085 11475 12317 11244 12633 11473 0 39293 26754 24408 48578 61913 55812 250 0 0 0 0 30151.5813802083 55434.5260416667 83.2480265299479 0 11939.3025948661 0 0 8002.90251739647 6675.52339029099 144.189811579712 0 536.812752847268 581 5.832 661.48163 PMeOH 32:0|PMeOH 16:0_16:0 [M-H]- 0.583 True 8.87 661.48138 C36H71O8P PMeOH CNEFYRLODUDZLK-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCCCCCCCCCC)COP(=O)(O)OC)CCCCCCCCCCCCCCC 410 True True True False False null null 100 100 85.9 68.4 100 166.15 P. cold 1 661.48096:12487 662.48431:6176 663.48767:1455 59.01477:70 78.95966:93 110.98462:507 113.34082:18 141.0426:21 167.00975:84 167.02441:10 185.03812:6 253.97461:12 255.14339:16 255.23277:10232 255.31938:27 255.34738:16 255.392:35 255.41783:16 255.45808:31 255.48018:36 255.51332:24 255.53902:15 255.55753:21 255.5741:14 255.61366:5 255.65697:22 255.72878:39 255.76402:16 255.79507:38 255.82272:20 255.92773:18 255.95763:8 256.00995:7 256.06506:5 256.08807:17 256.11572:17 256.21863:35 256.23718:126 256.26505:31 277.15762:47 405.14352:6 405.22461:23 423.25098:47 557.52466:37 661.46942:31 83951 98001 103236 0 0 0 0 32116 30394 30132 27566 26992 28456 30366 0 9067 5913 9454 34232 18702 7868 86671 46884 140039 0 0 8144.73404947917 20267.064453125 91197.7578125 95062.65625 29431.7748325893 0 0 1942.32395099398 13251.4451734669 46742.3937737404 9973.03140046376 1820.30486869702 582 7.378 661.50458 Unknown [M+FA-H]- ion correlated with 661; adduct linked to 608_[M+Hac-H]- 0.542 True null null null null null null 999 False False False False False null null null null null null null 72.39 B. room temp 1 661.5036:7518 662.50695:3876 663.51031:1025 44.99759:1858 45.17132:10 569.20947:12 661.23401:27 661.37622:42 661.42926:62 5618 5895 5608 0 0 0 0 43990 36417 36303 34042 34594 32433 33584 0 57836 55703 94629 62957 36932 35755 6462 7127 4950 0 0 69389.3984375 45214.8046875 6179.3701171875 5706.80045572917 35908.7996651786 0 0 21884.0885067323 15376.4860296715 1115.69895192569 162.824600649652 3838.77054171921 583 7.428 662.54938 w/o MS2:Cer 12:2;2O/32:6 [M-H]- ion correlated with 599; ion correlated with 849; similar chromatogram in higher mz_635 0.208 False 10.99 662.55182 C44H73NO3 Cer_NS CRKIYIBKYQIEJT-UHFFFAOYSA-N O=C(NC(CO)C(O)C=CCCC=CCCC)CCCCCCCCCCCCC=CCC=CCC=CCC=CCC=CCC=CCC 530 True True False False False null null 97.1 99.9 null null null 67.92 P. room temp 1 662.54938:3756 663.55273:2187 664.55609:1568 22160 25770 29252 0 0 0 0 12867 13042 13804 14249 13785 12220 12827 0 2927 1825 3217 2232 1742 677 30935 25492 28439 0 0 2656.30220540365 1550.28582763672 28288.6725260417 25727.32421875 13256.2131696429 0 0 734.673740789968 795.431961431966 2724.75818326364 3546.19702378599 709.472703420435 584 8.126 664.62488 w/o MS2:Cer 12:0;2O/30:1;(2OH) [M-H]- found in higher mz's MsMs_715; adduct linked to 683_[M-H2O-H]-; found in higher mz's MsMs_683 0.542 False 12.9 664.62488 C42H83NO4 Cer_ADS IUFSKVVTMDUQSK-UHFFFAOYSA-N O=C(NC(CO)C(O)CCCCCCCCC)C(O)CCCCCCCCCCCCCCCCC=CCCCCCCCCCC 530 True True False False False null null 100 99.9 null null null 389.85 B. room temp 1 664.62488:34680 665.62823:16669 666.63159:3575 12598 12482 16776 0 0 0 0 75947 96610 95181 90364 90473 93521 95150 0 297442 282553 235528 233216 203230 174389 15180 11992 13543 0 0 271840.880208333 203611.333333333 13571.5963541667 13951.9967447917 91035.0636160714 0 0 32316.6342734172 29415.4819065947 1594.05606245386 2446.1072767664 7068.71442416519 586 4.566 665.41736 w/o MS2:NAGlySer 15:3;O(FA 19:5) [M-H]- 0.792 True 6.85 665.41711 C39H58N2O7 NAGlySer OJHJSHIOYQPYII-UHFFFAOYSA-N O=C(OC(C=CCC=CCC=CCC)CCCC(=O)NCC(=O)NC(C(=O)O)CO)CCC=CCC=CCC=CCC=CCC=CCC 530 True True False False False null null 100 100 null null null 486.03 QC-1 665.41736:30141 666.42071:16804 667.42407:2910 44.9984:66 59.01224:31 61.9874:76 218.01138:12 220.0672:31 255.23219:62 267.08664:69 267.11472:13 272.09048:21 281.08954:40 283.22083:6 295.07089:122 309.08524:63 311.10672:23 337.08167:50 369.10724:20 392.29684:12 394.6279:16 555.95245:25 571.43127:7 605.4339:25 619.448:36 629.46539:37 633.26978:10 633.38977:30 661.79065:28 661.87512:6 662.58203:9 663.13361:17 664.05048:5 664.49512:21 665.03918:23 665.15491:8 665.18152:27 665.41718:21035 665.58124:23 665.61432:42 665.64734:43 665.73059:42 665.76874:42 665.82361:26 111469 108303 138397 0 0 0 0 202580 200129 195271 189008 191575 183686 187192 0 154552 141007 174582 123363 129178 154654 136447 165807 145639 0 0 156713.583333333 135731.385416667 149297.677083333 119389.645833333 192777.194196429 0 0 16891.5080037342 16643.0406817199 15017.9156107005 16536.5169162473 6902.50132005616 587 7.648 666.6048 Cer 41:1;4O|Cer 18:0;3O/23:1;(2OH) [M-H]- adduct linked to 717_[M+CH3COO]-; adduct linked to 686_[M+FA-H]-; found in higher mz's MsMs_717; found in higher mz's MsMs_686; similar chromatogram in higher mz_726; similar chromatogram in higher mz_1275 0.792 True 12.35 666.60419 C41H81NO5 Cer_AP NYMPMCUSPNKBJI-UHFFFAOYSA-N O=C(NC(CO)C(O)C(O)CCCCCCCCCCCCCC)C(O)CCCCCCCCCC=CCCCCCCCCCC 410 True True True False False null null 100 99.9 100 75.3 100 764.85 B. cold 1 666.60492:67904 667.60827:47045 668.61163:10817 59.01475:63 60.00993:24 77.41145:40 82.02641:33 85.01364:14 158.97409:15 210.79111:13 225.21994:37 255.2308:117 267.23273:9 268.26355:46 284.22595:19 284.2608:37 316.25897:36 321.31335:42 344.59033:20 349.3107:27 362.34088:45 366.33591:60 367.3222:181 367.82956:9 408.26175:9 410.36447:161 410.93591:18 417.34879:18 422.36191:134 486.57172:24 535.37579:37 583.05255:21 662.40173:13 662.68726:16 662.96625:9 663.50586:27 664.5097:24 664.60022:21 664.75946:6 665.52783:23 665.74182:6 666.29468:24 666.36792:24 666.40912:85 666.4541:197 666.60461:38476 666.96869:69 667.02734:58 110966 124311 150179 0 0 0 0 190324 215245 214262 197441 200797 195428 196719 0 597705 624016 409205 497048 491673 388103 183440 141609 167230 0 0 543642.145833333 458941.53125 164093.098958333 128485.3984375 201459.381696429 0 0 117166.577785219 61406.4501293574 21091.0965598753 19936.4896351752 9603.65768245747 588 8.585 666.64044 w/o MS2:Cer 12:0;2O/30:0;(2OH) [M-H]- adduct linked to 719_[M+CH3COO]-; found in higher mz's MsMs_719; found in higher mz's MsMs_689; similar chromatogram in higher mz_1034 0.792 False 13.16 666.64062 C42H85NO4 Cer_ADS RBLKHLIBCHJHCL-UHFFFAOYSA-N O=C(NC(CO)C(O)CCCCCCCCC)C(O)CCCCCCCCCCCCCCCCCCCCCCCCCCCC 530 True True False False False null null 100 99.9 null null null 215.37 B. room temp 3 666.64044:16643 667.64379:9548 668.64715:2163 74369 64303 67886 0 0 0 0 94984 117219 120470 103128 111543 85166 92529 0 92322 73643 128654 70182 97970 77020 61285 56775 72064 0 0 98205.9609375 81723.9453125 63374.4856770833 68852.6497395833 103576.912946429 0 0 27973.6223137439 14479.1726113145 7856.09059334818 5102.13513179946 13354.0699657115 589 8.14 668.62012 Cer 41:0;4O|Cer 18:0;3O/23:0;(2OH) [M-H]- adduct linked to 695_[M+FA-H]-; adduct linked to 722_[M+CH3COO]-; found in higher mz's MsMs_722; found in higher mz's MsMs_695 0.792 True 12.73 668.61981 C41H83NO5 Cer_AP LXCDJSOYWPJYDC-UHFFFAOYSA-N O=C(NC(CO)C(O)C(O)CCCCCCCCCCCCCC)C(O)CCCCCCCCCCCCCCCCCCCCC 410 True True True False False null null 100 99.9 100 76 100 1409.16 P. room temp 2 668.62036:111851 669.62371:60102 670.62707:14548 47.50477:15 58.03026:118 60.38838:7 70.73959:15 72.02972:43 72.99455:10 86.16812:10 88.03485:46 152.99724:32 187.06253:7 225.22289:19 255.23187:114 267.23337:76 278.25119:33 280.24606:21 284.26089:38 288.81705:58 316.28375:34 323.33215:197 329.37878:12 344.28311:9 351.28299:26 351.32214:25 353.3392:25 364.35529:19 368.01187:62 368.32336:11 368.34991:100 369.31198:130 369.33817:326 370.34222:30 376.35397:67 380.35699:11 398.18362:9 412.34586:40 412.37668:120 413.37796:17 424.37689:133 433.34079:7 610.58716:5 636.5929:19 638.59967:7 639.93469:15 650.53925:22 650.60736:52 654.60852:27 664.43195:10 664.56244:12 664.72583:21 664.78821:13 665.06494:7 665.4209:13 665.83099:19 666.21448:7 666.7229:44 667.24011:14 667.323:47 667.43903:10 667.47278:23 667.51294:13 668.03656:37 668.08875:16 668.22314:20 668.25623:13 668.3031:35 668.34467:31 668.4162:110 668.48572:402 668.62115:65473 1188268 1056768 1073511 1913 557 0 0 485758 561710 557457 516053 530040 467892 494899 1081 144542 128732 131200 106295 121990 91811 1034324 926537 1170132 1183.54724121094 0 134824.596354167 106698.661458333 1043664.72916667 1106182.54166667 516258.5 683.928910741028 0 8505.84831705773 15093.8041082516 122065.809269278 71579.0963631245 35774.6990017756 590 1.343 669.25452 Unknown [M-H]- 0.042 False null null null null null null 999 False False False False False null null null null null null null 65.41 B. room temp 2 669.25452:3270 670.25787:1429 671.26123:626 454 0 49 0 0 0 0 3710 6452 6967 5963 6155 7800 6597 0 12316 26824 13713 8867 3075 5093 1142 300 1855 0 0 17617.6044921875 5678.34497070313 1098.89005533854 167.562578837077 6234.8202078683 0 0 8003.86994051575 2939.80359187058 778.059787440558 248.956839997527 1266.24940378657 592 5.435 669.45032 PA 34:3|PA 16:0_18:3 [M-H]- 0.208 True 8.55 669.45007 C37H67O8P PA IBNMUXZRFLNINV-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCCC=CCC=CCC=CCC)COP(=O)(O)O)CCCCCCCCCCCCCCC 410 True True True False False null null 100 100 45.4 44.6 100 56.25 B. cold 1 669.44971:18743 670.45306:7879 671.45642:1759 44.99492:56 59.1767:5 61.98715:185 78.9604:42 83.05045:42 96.96859:33 152.99644:100 255.23148:259 255.35255:8 277.21783:128 391.22034:175 391.43402:20 392.22748:14 409.16016:12 409.23514:99 413.16083:76 413.18878:94 413.21255:43 433.2355:98 579.44531:13 609.22089:25 625.04016:11 666.05298:30 668.18604:8 668.39148:29 669.0755:6 669.28082:57 669.44928:8433 669.54565:47 669.57117:51 669.62518:59 669.72632:12 669.79462:22 669.91998:27 669.94678:13 14595 39790 43566 10225 3066 3382 868 105495 96604 25695 72694 42370 25185 25079 12363 863716 897774 178440 382923 334364 204486 49007 40220 38253 8551.53946940104 2124.84158325195 646643.34375 307257.489583333 42493.2161458333 32650.240234375 56160.283203125 4869.31271665685 1777.92570024884 405833.174485728 92255.0425498802 5725.92618443971 15750.0054114527 35087.387358448 593 7.646 670.59949 Cer 38:0;3O|Cer 18:0;3O/20:0 [M+CH3COO]- adduct linked to 574_[M+FA-H]- 0.542 True 11.4 670.59912 C38H77NO4 Cer_NP HFJJUTILDZFUOE-UHFFFAOYSA-N O=C(NC(CO)C(O)C(O)CCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCCC 410 True True True False False null null 100 99.9 60.3 56.9 100 258.75 P. room temp 3 670.599:25172 671.60235:16049 672.60571:2967 57.9762:49 58.00807:9 59.0132:97 61.98802:112 71.06881:9 78.95661:26 87.00732:54 134.98883:29 152.99745:49 255.19786:5 255.23383:204 256.23376:39 261.1489:17 267.233:341 267.50418:9 279.23468:114 280.27289:19 281.25137:40 284.25366:35 297.24387:63 310.30908:28 311.2963:191 336.32419:65 348.33008:37 352.32059:107 354.33838:263 354.56168:23 366.33737:473 391.18201:28 391.22433:235 392.22836:29 409.23724:71 410.23691:31 415.2283:62 433.23495:21 434.24078:34 537.29688:21 574.55682:111 578.54828:88 580.56091:23 592.56519:137 606.99829:9 607.99475:26 609.24786:21 610.06702:13 610.10114:27 610.41669:57 610.4585:138 610.57788:16319 610.75293:47 610.8009:60 610.82928:67 610.93848:46 610.99103:126 611.08966:48 611.14355:21 611.17346:29 611.31366:20 611.51013:17 611.57898:327 611.68958:16 611.7843:16 611.8349:8 611.89404:12 611.96307:20 612.0144:28 612.05713:29 612.17346:15 612.22821:15 612.28943:22 612.35638:17 612.43329:23 612.54449:6 612.60437:30 612.784:15 613.14307:16 613.69958:6 617.54059:5 636.74731:5 670.31073:13 670.35089:50 670.38666:38 670.44891:105 128387 141144 166189 0 0 0 0 59843 58081 57384 51466 54691 52518 53294 0 30725 24649 25344 21749 16589 12287 195805 139633 170715 0 0 26906.0963541667 16875.1627604167 168717.791666667 145240.0390625 55325.3214285714 0 0 3325.63498107085 4737.19817091599 28138.8934933546 19231.1997721656 3150.37395405904 594 7.841 670.60016 Cer 38:0;3O [M+CH3COO]- ion correlated with 658; ion correlated with 694; adduct linked to 483_[M-H]- 0.542 True 11.4 670.59912 C38H77NO4 Cer_NP HFJJUTILDZFUOE-UHFFFAOYSA-N O=C(NC(CO)C(O)C(O)CCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCCC 420 True True True False False null null 93.3 99.9 91.5 41.9 100 242.72 P. cold 1 670.5993:15407 671.60265:8504 672.60601:1941 44.99528:33 52.02038:16 57.97353:36 58.02889:33 59.00149:20 59.32841:16 78.95835:18 96.96239:28 120.54617:14 255.16022:40 255.23187:177 256.17651:40 256.23737:28 268.24997:83 268.28448:5 279.23193:53 281.28275:54 300.28619:45 309.27969:35 311.29547:37 311.31339:14 327.28409:48 334.31165:35 352.33322:51 353.32629:19 354.33121:18 366.3103:27 390.92899:11 391.16797:24 391.22339:145 392.22806:33 409.23633:83 410.23865:37 415.17862:38 415.22495:117 434.15408:23 434.24048:48 471.21524:39 482.99261:37 544.52124:13 574.57324:11 578.54749:50 578.5813:7 592.56116:44 606.98053:8 608.45447:19 610.34729:8 610.38385:60 610.4726:154 610.57751:11723 610.72797:60 610.79718:48 610.82135:26 610.90063:29 610.92023:34 611.03979:57 611.13391:25 611.1936:49 611.26965:39 611.29767:21 611.42432:40 611.47858:28 611.57892:221 611.66907:17 611.82593:28 611.88574:11 611.96265:11 611.98932:35 612.08234:30 612.22437:17 612.37305:27 612.50983:19 612.92041:7 613.40814:17 617.03778:19 639.9328:8 670.44574:82 670.56989:12 111576 133759 182428 0 0 0 0 46398 43772 40295 38490 37991 39197 38361 0 12901 10719 9028 17144 13267 11788 212400 144112 182527 0 0 10882.8108723958 14066.5208333333 179679.817708333 142587.822916667 40643.6540178571 0 0 1941.94464823826 2766.1602873008 34232.7674777704 36241.8111896432 3214.2640941047 599 7.407 672.57764 w/o MS2:Cer 12:0;3O/25:0;(2OH) [M+FA-H]- ion correlated with 628; ion correlated with 849; ion correlated with 583; adduct linked to 521_[M-H]- 0.042 False 10.99 672.57843 C37H75NO5 Cer_AP NUDZJDBCWPEIMF-UHFFFAOYSA-N O=C(NC(CO)C(O)C(O)CCCCCCCC)C(O)CCCCCCCCCCCCCCCCCCCCCCC 530 True True False False False null null 99.7 99.9 null null null 70.4 P. room temp 1 672.57764:3520 673.58099:1670 674.58435:413 17134 19471 20468 0 0 0 0 12233 12919 10547 9262 10545 8620 9183 0 1667 1705 2684 1585 915 0 27671 21657 22770 0 0 2018.64579264323 833.136149088542 24032.818359375 19024.3287760417 10472.6773158482 0 0 576.122066125415 795.431676411928 3199.5098436177 1711.18464966802 1615.14802388157 600 1.386 673.25195 Unknown [M+Hac-H]- adduct linked to 490_[M-H]- 0.083 False null null null null null null 999 False False False False False null null null null null null null 67.56 B. cold 2 673.25195:3379 674.2553:1959 675.25866:1151 41 44 35 0 0 0 0 9139 8595 8930 9646 9688 9132 8608 0 24119 24310 9151 28289 29136 26734 0 0 0 0 0 19193.3151041667 28052.9778645833 0 40.3648122151693 9105.35714285714 0 0 8697.16637304445 1218.37941838802 0 4.58499101954868 442.022300536205 601 2.252 673.25262 Unknown [M+FA-H]- adduct linked to 631_[M+Hac-H]-; adduct linked to 1236_[2M+Hac-H]- 0.667 True null null null null null null 999 False False False False False null null null null null null null 153.61 QC-2 673.25092:7049 674.25427:5045 675.25763:2197 44.99478:51 61.97929:57 301.22183:13 335.21808:13 339.41873:5 363.22458:30 366.28275:6 483.20364:39 526.18689:27 527.19031:12 541.20599:8 542.58661:10 557.27325:32 627.24127:113 671.1593:22 672.73578:20 673.13324:102 673.2514:4213 673.36328:24 673.39026:83 673.43066:29 673.4707:84 673.50677:24 673.54907:12 673.59491:10 673.65924:48 673.71625:14 28982 29386 18289 0 0 0 0 56926 51723 47232 51523 50417 46204 47447 0 51141 48514 37091 167616 105155 71016 12450 3586 30080 0 0 45582.26953125 114595.669270833 15372.0795898438 25552.1998697917 50210.1925223214 0 0 7469.69554606194 48987.3810847548 13486.1286011471 6292.97885395558 3690.17844544503 602 6.679 673.50439 Unknown [M-H]- 0.667 True null null null null null null 999 False False False False False null null null null null null null 59.38 B. room temp 1 673.50391:12940 674.50726:6266 675.51062:1349 55.84359:26 59.01332:3967 59.03827:12 59.06217:9 59.11529:7 59.13921:17 59.16313:25 59.20034:6 59.32:26 78.95081:66 96.97141:61 116.92895:43 281.25226:14 307.19153:10 315.31754:50 391.21573:36 393.23215:25 409.98367:50 411.2355:39 627.30322:37 673.08649:34 673.35455:25 673.47058:675 673.63342:17 673.75006:15 673.80383:10 24911 5322 5607 0 0 0 0 53528 46912 45313 41579 47627 47165 45512 0 102468 120707 90469 57169 86075 66438 27234 19121 29139 0 0 104547.9140625 69894.05859375 25164.5911458333 11946.7495117188 46805.0502232143 0 0 15226.0385372366 14759.4028746647 5320.13199350249 11228.5016156639 3587.8103729453 603 6.969 673.50494 Unknown [M-H]- ion correlated with 627 0.542 False null null null null null null 999 False False False False False null null null null null null null 48.22 B. room temp 2 673.50494:12716 674.50829:7063 675.51165:1552 8647 2956 7239 0 0 0 0 41905 37413 38602 38811 36081 32040 32850 0 94547 108237 88902 51265 74664 62727 15058 14731 12184 0 0 97228.7760416667 62885.3294270833 13991.1350911458 6280.712890625 36814.4040178571 0 0 9942.37730324513 11700.1916690055 1573.1903504528 2964.51042632523 3476.13189734248 604 7.642 673.573 w/o MS2:RIKEN N-VS1 ID-3996 from Mouse_Feces_WT_N_Ctr [M-H]- ion correlated with 574 0.25 False 6.51 673.57892 Unknown 530 True True False False False null null 83.9 100 null null null 186.88 P. room temp 3 673.573:11329 674.57635:5109 675.57971:1186 64704 76020 84418 0 0 0 0 25187 24598 25222 24283 23973 25420 22958 0 9365 7105 10219 7553 5899 3289 81006 67637 81521 0 0 8896.04671223958 5580.54207356771 76721.6067708333 75047.4427083333 24520.412109375 0 0 1608.86452496535 2149.60041575186 7871.64811462934 9892.90765343414 870.716900268951 605 7.828 673.57416 Unknown [M-H]- ion correlated with 575 0.25 True null null null null null null 999 True False False False True null null null null null null null 254.17 P. room temp 1 673.57416:17185 674.57751:9872 675.58087:2069 34.9689:22 42.33549:35 59.01343:225 61.95449:73 61.98836:8479 62.01159:66 62.04626:15 62.05785:30 62.07963:33 62.09733:10 62.16134:17 62.17768:18 62.21583:17 62.25969:20 62.27771:10 62.42861:23 62.50781:13 152.99109:31 168.06779:29 227.2032:41 255.24062:44 284.29568:8 391.16772:27 391.2272:48 391.59167:12 409.21521:26 611.58624:24 612.51813:13 612.60358:31 613.52759:46 613.58777:240 657.56445:11 673.35938:9 673.47668:206 673.57458:32 73040 81899 102115 0 0 0 0 22432 23892 22491 22105 22697 23095 24516 0 10283 10595 8118 15271 13585 17163 117277 81879 96694 0 0 9665.35107421875 15339.6956380208 98616.4192708333 85684.8046875 23032.6272321429 0 0 1349.11820442885 1790.31558461185 17777.1026701774 14902.6684423323 872.656310717085 606 3.409 674.42627 w/o MS2:HexCer 16:3;2O/16:4;O [M-H]- 0.042 False 6.92 674.42743 C38H61NO9 HexCer_HS IFTSYRMHOMPREW-UHFFFAOYSA-N O=C(NC(COC1OC(CO)C(O)C(O)C1O)C(O)C=CCCC=CCCC=CCCC)C(O)CC=CCC=CCC=CCC=CCC 530 True True False False False null null 99.3 99.9 null null null 15.93 B. room temp 1 674.42627:3339 675.42962:1872 676.43298:419 0 0 0 0 0 0 0 7043 6611 6532 7860 6521 7991 8080 0 26204 20055 18568 25298 23117 19848 0 0 0 0 0 21608.6803385417 22754.6555989583 0 0 7234.21275111607 0 0 4048.26823585823 2742.94565176679 0 0 719.637823941824 607 7.087 675.51996 Unknown [M-H]- 0.708 True null null null null null null 999 False False False False False null null null null null null null 117.67 B. room temp 1 675.51965:10145 676.523:4669 677.52636:1022 59.01393:4389 59.04421:28 59.07608:13 59.12334:13 59.14696:25 59.18764:16 59.20895:8 59.26746:6 59.3606:7 59.55777:8 139.00919:13 233.51788:10 286.22888:24 308.90506:17 325.2023:29 591.36981:14 593.32928:25 625.23456:22 675.24695:29 675.42706:70 675.48962:56 675.5517:118 675.58813:19 30718 29852 32804 0 0 0 0 43414 43666 40387 36503 38051 39403 40772 0 85928 100843 77877 55607 61690 56458 26545 23718 24816 0 0 88216.1588541667 57918.33984375 25026.33203125 31124.8170572917 40313.6529017857 0 0 11652.5133692433 3293.79111034007 1425.32243375221 1517.33383410515 2631.17076291531 608 7.373 675.521 Unknown [M+Hac-H]- adduct linked to 582_[M+FA-H]- 0.792 True null null null null null null 999 False False False False False null null null null null null null 639.89 P. cold 2 675.51947:4618 676.52282:2554 677.52618:468 58.95107:38 59.01416:2282 59.05004:8 59.08328:23 59.10239:23 59.21952:6 59.40653:12 59.48954:13 60.08401:8 629.58203:17 674.45471:26 675.45673:62 675.51624:41 675.55859:46 34600 36427 37797 0 0 0 0 271403 266309 253688 250385 240616 239012 240325 0 490107 444337 663855 456598 313670 293029 41435 42811 36508 0 0 532766.333333333 354432.34375 40251.36328125 36274.8385416667 251676.979910714 0 0 115809.80034669 89077.880300291 3314.34265083411 1603.77113182713 13041.8787563034 609 7.645 676.56647 w/o MS2:Cer 13:2;2O/32:6 [M-H]- 0.042 False 11.6 676.56738 C45H75NO3 Cer_NS SAFUGIMNYAEKKE-UHFFFAOYSA-N O=C(NC(CO)C(O)C=CCCC=CCCCC)CCCCCCCCCCCCC=CCC=CCC=CCC=CCC=CCC=CCC 530 True True False False False null null 99.6 99.9 null null null 63.98 P. cold 3 676.56647:3199 677.56982:1679 678.57318:1273 22863 24336 28018 0 0 0 0 7300 6938 8168 7568 7504 7001 7057 0 245 0 0 0 0 0 27304 23868 25489 0 0 81.7076873779297 0 25553.8567708333 25072.478515625 7362.33461216518 0 0 141.521865907528 0 1718.94821842768 2654.84741678318 431.780039410436 610 2.181 677.39008 w/o MS2:PG 16:2_12:0;1O [M-H]- ion correlated with 742; adduct linked to 742_[M+Hac-H]-; found in higher mz's MsMs_742 0.25 True 7.4 677.4035 C34H63O11P OxPG KFTHVBGZRXLAIS-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCC(O)CCCCC)COP(=O)(O)OCC(O)CO)CCCCCCCC=CCC=CCCC 530 True True False False False null null 61 99.9 null null null 93.63 P. room temp 3 677.39008:5193 678.39343:2420 679.39679:570 36.86985:7 73.02472:22 95.05148:85 116.92595:66 142.97333:20 163.11343:49 163.12814:11 189.09123:377 191.16325:16 207.1001:219 235.08237:23 251.20036:431 253.09409:55 278.22269:30 331.12796:47 369.15942:31 377.27328:11 404.35934:36 425.17932:11 443.14209:23 487.24252:43 487.2807:69 506.34973:13 631.3985:16 645.39874:48 659.38983:15 677.21527:8 677.32819:78 677.38812:1352 677.48138:38 677.55334:5 677.78717:16 677.81421:16 677.86365:8 33953 32782 37810 0 0 0 0 9921 11921 11118 11588 11929 11504 11924 0 0 0 252 0 0 612 39071 35454 41422 0 0 84.0070139567057 203.945251464844 38648.921875 34848.6458333333 11415.1109095982 0 0 145.504416365162 353.24353749952 3006.28482863587 2630.79196531509 723.019433723459 611 7.515 677.5351 w/o MS2:RIKEN N-VS1 ID-4051 from Cell_HeLa_WT_N_Ctr [M-H]- 0.333 False 11.19 677.53943 Unknown 530 True True False False False null null 91 99.9 null null null 109.41 B. room temp 2 677.5351:9545 678.53845:4139 679.54181:1125 30640 29546 28736 0 0 0 0 56759 49138 57162 44572 45701 49413 51583 0 137092 147245 98536 72536 91936 79585 22933 20843 25609 0 0 127624.515625 81352.359375 23128.3404947917 29640.5091145833 50618.4827008929 0 0 25697.7191095219 9819.95116826054 2388.98128750997 955.650889974851 4930.32333329278 612 8.339 678.64099 w/o MS2:Cer 12:0;2O/31:1;(2OH) [M-H]- ion correlated with 826; ion correlated with 785; ion correlated with 819; ion correlated with 941; adduct linked to 744_[M+CH3COO]-; found in higher mz's MsMs_744 0.542 False 13.1 678.64062 C43H85NO4 Cer_ADS AGLREIXJHKKPSH-UHFFFAOYSA-N O=C(NC(CO)C(O)CCCCCCCCC)C(O)CCCCCCCCCCCCCCCCCC=CCCCCCCCCCC 530 True True False False False null null 99.9 99.9 null null null 325.64 B. room temp 1 678.64099:30253 679.64434:15104 680.6477:3201 2147 2621 2918 0 0 0 0 69156 73108 73783 76882 77384 77416 76392 0 247468 224680 174103 211673 167138 140452 3279 1391 2148 0 0 215417.197916667 173087.505208333 2272.50805664063 2562.16389973958 74874.2756696429 0 0 37549.3369612283 35981.1371573369 950.083614123435 388.894106589312 3057.88032338711 613 7.888 680.62164 Cer 42:1;4O|Cer 18:0;3O/24:1;(2OH) [M-H]- adduct linked to 718_[M+FA-H]-; adduct linked to 750_[M+CH3COO]-; similar chromatogram in higher mz_658; similar chromatogram in higher mz_765; similar chromatogram in higher mz_947; similar chromatogram in higher mz_1051; found in higher mz's MsMs_750; found in higher mz's MsMs_718; adduct linked to 1245_[2M-H]-; found in higher mz's MsMs_1245 0.792 True 12.66 680.61981 C42H83NO5 Cer_AP VLYZTRXYHZTBJS-UHFFFAOYSA-N O=C(NC(CO)C(O)C(O)CCCCCCCCCCCCCC)C(O)CCCCCCCCCCC=CCCCCCCCCCC 410 True True True False False null null 100 99.9 100 75.5 100 4435.04 P. room temp 1 680.6203:85450 681.62365:51272 682.62701:11535 49.07963:17 59.01434:74 86.00735:38 155.86562:36 225.21208:12 255.22943:77 264.27249:18 267.2326:76 267.4021:14 268.89026:26 308.2554:29 335.33145:93 364.36172:57 381.33783:355 388.32425:5 424.33942:36 424.37857:128 424.759:9 436.37787:106 529.46753:23 592.56921:28 644.59692:29 654.59888:80 654.99731:9 662.59924:51 675.91718:8 676.28821:9 676.63611:10 676.68109:26 676.70862:9 677.02271:6 677.06763:18 677.32843:10 677.4903:13 678.20996:12 678.90308:7 679.10089:9 679.29028:14 679.75867:44 679.84875:11 679.92767:14 680.03796:9 680.33997:22 680.38293:42 680.61993:50781 681.02997:128 419710 471780 588518 527 0 0 0 1436690 1568749 1578259 1510715 1497285 1512828 1521850 632 3924279 3946847 2892733 3230322 3326569 2632889 627222 438513 578728 386.388468424479 0 3587953.16666667 3063260.16666667 548154.302083333 493335.6875 1518053.66071429 338.735068003661 0 602183.843086578 375806.50131969 97999.0549816538 86443.7558883631 47155.222597639 614 4.372 681.4104 w/o MS2:PG O-9:0_22:6 [M-H]- 0.292 False 7.65 681.4137 C37H63O9P EtherPG GWUVFWQCLZZNMI-UHFFFAOYSA-N O=C(OC(COCCCCCCCCC)COP(=O)(O)OCC(O)CO)CCC=CCC=CCC=CCC=CCC=CCC=CCC 530 True True False False False null null 94.7 99.9 null null null 100.25 QC-7 681.4104:5220 682.41375:2331 683.41711:638 9713 10006 9665 0 0 0 0 48662 46669 45129 46937 45247 45737 47477 0 16753 14270 22556 14589 15295 17244 20205 17488 6932 0 0 17859.7477213542 15709.3369140625 14874.7465820313 9794.78059895833 46551.1545758929 0 0 4252.04196166095 1374.91635633534 7011.39183686354 184.933181965825 1282.18520135883 615 3.141 681.42261 w/o MS2:PG 16:0_12:0;1O [M-H]- ion correlated with 754; ion correlated with 767; similar chromatogram in higher mz_767; adduct linked to 754_[M+Hac-H]-; found in higher mz's MsMs_754; adduct linked to 720_[M+FA-H]-; similar chromatogram in higher mz_1108 0.542 True 7.72 681.43481 C34H67O11P OxPG ZEQLDOCUWSNHQP-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCC(O)CCCCC)COP(=O)(O)OCC(O)CO)CCCCCCCCCCCCCCC 530 True True False False False null null 62.9 99.9 null null null 191.03 P. room temp 3 681.42261:18579 682.42596:8386 683.42932:1584 69.0354:58 111.04617:29 145.09714:44 163.11346:95 178.94849:26 189.03642:8 189.05473:91 189.09172:1277 189.11958:16 189.15285:9 195.1013:39 207.0813:68 207.10226:414 235.07983:67 253.09451:261 255.21503:72 255.23251:846 255.38531:8 257.75003:15 398.00674:54 425.18036:77 443.18848:49 491.2179:8 491.28674:64 491.31882:154 491.76428:11 617.4126:22 621.31683:50 663.40918:19 677.40186:25 681.22009:30 681.28174:38 681.42102:5494 681.53632:31 681.59027:12 681.64325:15 681.67145:31 681.72662:37 681.79181:11 681.86084:15 681.89496:26 91384 94326 98573 0 0 0 0 34067 42832 43238 41368 42668 42879 43818 0 567 2181 651 3508 2460 2742 128891 115880 146542 0 0 1133.11543782552 2903.43383789063 130437.765625 94761.0390625 41553.0697544643 0 0 908.871724888053 542.38160711636 15389.4926883677 3614.02008914906 3383.35161063966 616 2.513 681.51111 w/o MS2:SE 24:1;O4/19:3;1O [M-H]- 0.542 True 9.11 681.51001 C43H70O6 DCAE JAXYGEMZCWDGKY-UHFFFAOYSA-N O=C(O)CCC(C)C1CCC2C3CCC4CC(OC(=O)CCCCCCCCC=CCC=CCC=CCCO)CCC4(C)C3CC(O)C12C 530 True True False False False null null 69 99.8 null null null 458.43 B. room temp 2 681.51111:43488 682.51446:29941 683.51782:6506 59.01224:14 121.73458:15 132.77925:27 135.12679:11 226.06419:10 259.24411:215 301.16772:18 301.48196:6 301.73166:42 302.15195:22 302.80701:31 302.96939:10 302.99042:8 303.09015:30 303.13708:29 303.23303:45994 303.47989:74 303.49744:30 303.52444:59 303.59781:69 303.65598:49 303.68637:27 303.7323:101 303.77979:25 303.81879:31 303.87222:41 303.90024:40 303.92761:63 303.99045:41 304.01566:23 304.05295:27 304.10233:24 304.14969:36 304.20956:36 304.23547:391 304.28271:44 304.32629:19 304.40854:27 304.505:23 304.54764:10 304.60754:20 304.65671:25 304.7178:9 304.78848:33 304.92725:6 305.18677:18 305.40714:8 305.69403:14 305.9418:16 306.11105:20 306.28638:11 306.62549:7 306.93381:9 307.22446:15 307.5293:10 315.53506:17 340.12469:35 480.97238:26 529.01666:13 645.42157:12 681.28394:14 681.36298:28 681.43622:98 681.50043:20 0 0 0 0 0 0 0 198586 92195 84038 81582 81166 84095 84367 0 232044 274400 210989 151320 188788 165308 0 239 0 0 0 239144.364583333 168472.119791667 79.5427500406901 0 100861.369419643 0 0 32296.122730249 18933.1679862211 137.772084444227 0 43245.5892227364 617 8.36 682.63654 Cer 42:0;4O|Cer 18:0;3O/24:0;(2OH) [M-H]- adduct linked to 723_[M+FA-H]-; adduct linked to 758_[M+CH3COO]-; found in higher mz's MsMs_758; found in higher mz's MsMs_723; similar chromatogram in higher mz_1116; similar chromatogram in higher mz_1274 0.792 True 13.03 682.6355 C42H85NO5 Cer_AP ZFUXWVVVWGWGPQ-UHFFFAOYSA-N O=C(NC(CO)C(O)C(O)CCCCCCCCCCCCCC)C(O)CCCCCCCCCCCCCCCCCCCCCC 410 True True True False False null null 100 99.9 100 76.2 100 4653.78 B. cold 2 682.6358:148112 683.63915:81705 684.64251:19050 32.74222:15 41.99666:28 44.99699:14 58.02915:32 72.0448:63 88.0343:40 100.7997:17 131.02081:34 142.86172:23 155.88721:9 198.05605:9 225.22206:27 255.23244:234 267.2323:129 279.21194:14 280.26138:61 286.77216:28 308.26004:21 316.27869:15 337.28104:23 337.34741:272 338.36053:25 365.3425:171 378.37167:64 382.36441:48 383.30521:9 383.35248:778 390.37518:76 406.5144:16 408.38062:49 426.39285:324 426.66599:19 438.39185:98 438.77731:10 439.57031:6 528.09271:12 589.57831:13 646.55249:11 646.61407:58 650.6181:23 664.53851:12 664.59131:24 678.25476:12 678.29974:15 678.39874:11 678.45685:18 678.53003:16 678.61475:13 678.67957:11 678.72278:36 678.76764:14 678.89935:17 678.95343:31 679.13269:10 679.22699:19 679.30804:19 679.38916:19 679.52423:22 679.62341:15 679.72644:7 680.03772:18 680.20892:6 680.39594:15 680.65063:43 680.75537:26 680.867:58 680.98419:23 681.11267:15 681.16461:24 681.40845:17 681.45319:6 681.48145:19 681.55243:25 682.2287:30 682.29211:26 682.34619:50 682.38495:93 682.6358:82771 2781413 2396822 2372824 20074 4257 3531 2245 2146346 2276832 2334260 2212726 2358078 1921870 2014157 7228 1406363 1251865 1272730 1035031 1394056 1058432 2179555 2170146 2530170 10519.8795572917 2888.20812988281 1310319.20833333 1162506.45833333 2293290.33333333 2517019.5 2180609.78571429 8406.66811938791 909.419940446431 83828.387311643 200869.083058637 205197.964625373 229285.65618732 163921.235862204 618 1.151 683.09784 Unknown [M-H]- ion correlated with 902 0.042 False null null null null null null 999 False False False False False null null null null null null null 75.29 B. room temp 2 683.09784:3765 684.10119:1813 685.10455:1837 0 0 0 0 0 0 0 11455 11131 10450 11003 11645 12644 12248 0 8118 23621 14798 11617 4858 5677 0 0 0 0 0 15512.3113606771 7384.17350260417 0 0 11510.9888392857 0 0 7776.3479115644 3688.58323765874 0 0 750.188660658826 619 4.993 683.466 PMeOH 34:3|PMeOH 16:0_18:3 [M-H]- similar chromatogram in higher mz_820 0.625 True 8.53 683.4657 C38H69O8P PMeOH OQSIQRXLIJGJQR-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCCC=CCC=CCC=CCC)COP(=O)(O)OC)CCCCCCCCCCCCCCC 410 True True True False False null null 100 99.9 30.9 32.7 100 122.36 QC-1 683.46539:12001 684.46874:5949 685.4721:1329 59.01394:56 61.98181:30 110.9843:32 158.9754:281 205.12576:34 255.2325:475 277.1474:9 277.21613:491 277.3187:10 304.23364:19 334.617:20 366.34406:32 423.2522:36 444.55701:8 445.21393:26 482.98935:44 540.20892:36 605.45392:19 637.2735:8 637.41321:30 679.72412:11 679.83307:27 682.70044:33 683.30463:86 683.3797:301 683.46521:7473 683.56812:36 683.65784:16 683.703:25 683.74915:21 683.78223:55 683.82043:35 683.85657:17 683.92914:12 323440 323226 289691 0 0 0 0 107413 107178 98629 103810 105241 102501 96402 0 15557 9583 19902 120158 47122 21547 102100 75124 182557 0 0 15014.0035807292 62942.333984375 119927.0625 312119.020833333 103024.828125 0 0 5180.85819769427 51173.5809539666 55890.638590588 19423.6093895824 4193.10561875823 620 6.57 683.48846 Unknown [M+FA-H]- similar chromatogram in higher mz_1232; adduct linked to 651_[M+Hac-H]- 0.5 False null null null null null null 999 False False False False False null null null null null null null 10.16 B. room temp 3 683.48846:6851 684.49181:3870 685.49517:738 4754 4957 5319 0 0 0 0 32970 31634 29871 28416 26933 27598 28880 0 51982 59575 57701 23563 35425 31339 4558 4468 4971 0 0 56419.6953125 30108.7649739583 4665.51350911458 5010.25472005208 29471.6888950893 0 0 3955.30692837216 6025.83027730748 268.089295506595 285.972427943264 2179.28073790915 622 4.971 684.44934 w/o MS2:RIKEN N-VS1 ID-4156 from Mouse_Feces_WT_N_Ctr [M-H]- 0.042 False 7.81 684.44971 Unknown 530 True True False False False null null 99.9 100 null null null 82.86 B. cold 3 684.44934:4143 685.45269:2374 686.45605:512 0 0 0 0 0 0 0 5637 5739 5453 4101 7292 3889 5507 0 15857 19983 19477 6155 19358 30926 0 0 0 0 0 18439.2311197917 18812.9957682292 0 0 5374.1063406808 0 0 2250.32254326494 12394.7756797221 0 0 1135.10097830069 623 8.678 684.57379 w/o MS2:Cer 12:1;3O/26:0;(2OH) [M-H]- 0.125 False 10.57 684.57843 C38H75NO5 Cer_AP FFFLHZDXHBIRMP-UHFFFAOYSA-N O=C(NC(CO)C(O)C(O)CCCC=CCCC)C(O)CCCCCCCCCCCCCCCCCCCCCCCC 530 True True False False False null null 89.8 100 null null null 114.46 B. room temp 2 684.57379:7555 685.57714:5574 686.5805:1084 286 580 2463 638 0 540 311 9344 8327 8209 7841 7580 7992 6675 0 38811 50198 26840 3554 3934 4035 498 4505 5268 212.51708984375 425.203414916992 38616.3834635417 3841.03580729167 3423.58193969727 1109.78079223633 7995.26102120536 368.090397086055 161.819492221972 11680.4602490067 253.628106101793 2562.20258203072 1180.94911841591 807.659241884469 624 8.132 684.61456 w/o MS2:RIKEN N-VS1 ID-4166 from Mouse_Feces_WT_N_Ctr [M+FA-H]- ion correlated with 577; ion correlated with 671; adduct linked to 653_[M+CH3COO]- 0.25 False 12.18 684.6145 Unknown 530 True True False False False null null 100 99.9 null null null 162.99 P. room temp 3 684.61456:10117 685.61791:5376 686.62127:1210 59474 64316 71289 0 0 0 0 27300 26645 23986 24209 26157 23606 22646 0 8930 6648 10783 9809 7566 5913 85411 73343 88155 0 0 8787.12125651042 7762.79036458333 82303.0390625 65026.25390625 24935.5150669643 0 0 2071.06926923735 1955.62455359042 7879.90664425074 5939.18783864115 1753.1817238516 625 7.729 684.61475 w/o MS2:Cer 18:0;2O/21:0;(3OH) [M-H]- similar chromatogram in higher mz_707; similar chromatogram in higher mz_954 0.75 True 12.06 684.61481 C39H79NO4 Cer_BDS POTGFHRXPJTDLA-UHFFFAOYSA-N O=C(NC(CO)C(O)CCCCCCCCCCCCCCC)CC(O)CCCCCCCCCCCCCCCCCC 530 True True False False False null null 65 99.9 null null null 170.21 P. room temp 1 684.61475:19750 685.6181:10465 686.62146:2298 58.0288:20 100.03458:19 102.05609:50 118.05066:67 130.05353:114 158.9785:19 255.2317:32 298.6196:12 310.25366:42 342.26407:64 374.1825:26 374.28979:394 375.2915:53 385.33319:5 460.9957:22 506.28787:14 514.63342:28 524.33234:6 593.57104:12 624.41052:26 625.23169:65 638.41937:174 638.6261:6 639.41272:38 680.98468:6 682.03137:8 683.67474:13 684.15363:14 684.26917:8 684.33374:7 684.38867:19 684.43152:79 684.61493:12127 684.71448:107 684.90417:59 684.9856:74 685.04932:31 685.10034:18 82583 93275 91497 0 0 0 0 53358 55725 54312 52593 52572 42350 47928 0 29196 25669 30567 30069 24533 19192 136930 96752 115792 0 0 28477.1041666667 24598.3020833333 116491.255208333 89118.28125 51262.4547991071 0 0 2526.68674154241 5438.53675259761 20098.5152493803 5729.15883555987 4612.27834075622 626 5.432 685.48254 PMeOH 34:2|PMeOH 16:0_18:2 [M-H]- 0.667 True 8.61 685.48138 C38H71O8P PMeOH PXPCKHZLDQZOMG-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCCC=CCC=CCCCCC)COP(=O)(O)OC)CCCCCCCCCCCCCCC 410 True True True False False null null 100 99.9 34.6 35.5 100 729.17 B. cold 1 685.48151:15016 686.48486:7173 687.48822:1723 61.98742:117 122.57465:43 158.97794:15 165.12296:28 255.15965:8 255.23154:624 279.23236:882 279.35336:6 279.56689:7 279.66498:8 351.32703:43 353.32062:6 401.12582:47 405.70636:15 417.24411:20 423.21194:32 423.25018:39 447.23868:19 667.34686:22 681.48883:5 682.53558:28 683.16766:5 685.13544:23 685.25555:14 685.29053:23 685.32983:114 685.38324:157 685.4812:8693 685.61566:33 685.68292:30 685.72687:85 685.77136:35 685.83459:37 685.90363:27 1019171 1001042 905498 0 0 0 0 359355 352311 338819 337736 343218 342763 335062 0 18169 13043 21552 104397 57174 29637 401377 310441 689505 0 0 17588.1048177083 63735.8515625 467107.572916667 975236.833333333 344180.683035714 0 0 4284.52954564076 37809.4945907025 197896.277646415 61072.4475886955 8686.38108566357 627 6.954 685.50452 Unknown [M-H]- 0.542 False null null null null null null 999 False False False False False null null null null null null null 155.39 B. room temp 2 685.50452:15323 686.50787:8784 687.51123:2005 17123 16614 17173 0 0 0 0 57366 51837 52401 44335 46328 44319 43961 0 101596 111446 94654 55339 69012 60885 16593 17448 17802 0 0 102565.372395833 61745.4244791667 17280.7180989583 16969.830078125 48649.5128348214 0 0 8437.99452112127 6876.8246983339 621.74045444161 309.283010714629 5243.07706377159 628 7.407 686.59412 w/o MS2:Cer 12:0;3O/26:0;(2OH) [M+Hac-H]- ion correlated with 599; adduct linked to 521_[M-H]- 0.042 False 11.38 686.59399 C38H77NO5 Cer_AP TUGMJZRJEDQCQO-UHFFFAOYSA-N O=C(NC(CO)C(O)C(O)CCCCCCCC)C(O)CCCCCCCCCCCCCCCCCCCCCCCC 530 True True False False False null null 100 99.9 null null null 65.99 P. room temp 1 686.59412:3299 687.59747:1815 688.60083:340 14377 16442 19067 0 0 0 0 10797 9292 9767 7041 9192 7731 7511 0 1961 1131 1883 2269 797 525 24338 17802 19965 0 0 1657.93127441406 1197.0829671224 20701.7604166667 16628.908203125 8761.66873604911 0 0 458.395636392088 938.463422874941 3329.7748835564 2350.80077076072 1366.57875929048 629 1.64 687.23157 Unknown [M-H]- 0.5 True null null null null null null 999 False False False False False null null null null null null null 407.24 QC-1 687.23169:19120 688.23504:10932 689.2384:5039 44.99777:127 187.37968:8 271.22479:73 271.27597:12 393.19394:10 481.16776:13 516.98077:40 540.1629:149 555.15259:18 555.19318:104 555.63806:7 556.15137:15 567.18347:58 601.1814:26 609.20422:18 641.0481:25 641.09186:38 641.21948:123 642.26196:12 642.65906:12 643.24609:20 643.90027:15 683.90179:23 685.81885:13 686.73602:60 686.9776:42 687.08173:118 687.23126:12241 687.35284:79 687.40894:64 687.44574:69 687.53345:83 687.56738:33 687.61963:62 687.64746:21 687.71643:31 9536 9296 7369 0 0 0 0 135317 122070 120172 122090 122513 114868 117303 0 152807 160474 182987 303361 265400 147770 4785 1238 19854 0 0 165422.609375 238843.723958333 8625.48506673177 8733.56087239583 122047.421875 0 0 15686.5085066717 81123.7673450271 9884.62358855935 1187.44135302485 6504.64278592306 630 1.572 687.23212 Unknown [M+FA-H]- adduct linked to 1237_[2M+FA-H]-; similar chromatogram in higher mz_1235 0.083 True null null null null null null 999 False False False False False null null null null null null null 401.82 B. cold 1 687.23212:37019 688.23547:20095 689.23883:9034 44.99769:22 59.15419:22 147.15201:72 316.71466:27 495.16266:38 513.17041:25 524.09198:10 540.16125:194 540.77136:12 554.17664:66 555.15271:36 555.18707:262 582.36993:20 609.19751:69 611.20551:15 618.00513:21 641.22424:379 641.9762:8 642.2301:29 643.24152:39 683.49426:13 683.64307:13 684.80591:36 685.3938:11 686.54315:31 686.67297:12 686.72382:10 686.86975:19 686.94159:17 687.01404:58 687.05981:129 687.23157:19590 687.32532:182 687.42999:113 687.48999:96 687.53979:47 687.5672:72 687.63507:92 687.70081:33 687.72974:47 9536 9296 7369 0 0 0 0 135317 122070 120172 122090 122513 114868 117303 0 152807 160474 182987 303361 265400 147770 4785 1238 19854 0 0 165422.614583333 238843.71875 8625.48506673177 8733.56087239583 122047.421875 0 0 15686.5022235941 81123.7761157379 9884.62358855935 1187.44135302485 6504.64278980463 631 2.244 687.26862 Unknown [M+Hac-H]- adduct linked to 601_[M+FA-H]- 0.75 True null null null null null null 999 False False False False False null null null null null null null 697.66 P. cold 1 687.26843:14832 688.27178:9633 689.27514:5444 57.9669:8 59.01502:65 100.93399:35 145.08405:9 148.63937:20 159.97493:17 279.23212:23 283.22653:11 467.17239:33 515.323:23 526.18085:36 537.15991:16 541.16364:35 541.2038:89 579.01672:23 627.24164:199 628.25909:21 628.8042:12 676.98669:34 679.81067:19 686.92145:13 687.09833:52 687.26624:9026 687.37897:100 687.46851:68 687.56012:21 687.60431:37 687.69165:61 687.75403:15 105129 106698 64595 0 0 0 0 245814 226732 231384 242505 240658 240615 236288 0 308137 303029 203208 791864 616248 366937 43766 12279 117942 0 0 271457.770833333 591682.895833333 57995.6842447917 92140.4934895833 237713.752232143 0 0 59161.1920886978 213526.073064186 54249.5953749205 23868.2025623585 6687.61373937928 632 5.893 687.49823 PMeOH 34:1|PMeOH 16:0_18:1 [M-H]- 0.542 True 9.02 687.49701 C38H73O8P PMeOH VAARQXKGNHCRDF-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCCC=CCCCCCCCC)COP(=O)(O)OC)CCCCCCCCCCCCCCC 410 True True True False False null null 100 100 35.3 35.6 100 238.8 QC-1 687.49683:11745 688.50018:6032 689.50354:1330 59.0095:22 91.00036:20 110.98199:15 158.97417:99 159.9604:47 255.23206:418 281.22595:79 281.24777:729 283.26105:63 315.19711:62 339.20047:13 343.99057:38 423.2514:82 594.51465:28 641.40637:29 683.19025:11 683.72931:7 684.02759:18 684.4162:15 687.31201:76 687.3595:105 687.41058:118 687.49652:6644 687.62921:21 687.69397:25 687.80481:27 687.87396:28 687.96442:18 297993 301368 284445 0 0 0 0 82196 82162 79008 72720 77717 76588 79417 0 1584 1497 1668 9176 5229 2671 73082 54919 136640 0 0 1582.85856119792 5692.05029296875 88213.5364583333 294601.864583333 78544.0412946429 0 0 85.8497555559609 3277.32795702808 42910.1976210972 8956.77315215439 3312.59005626316 633 8.958 687.5722 Unknown [M-H]- ion correlated with 870 0.25 False null null null null null null 999 False False False False False null null null null null null null 47.43 B. room temp 2 687.5722:8700 688.57555:6446 689.57891:1234 9055 7096 5088 1240 1095 1505 1372 23221 22221 20483 24258 21307 19748 19645 1662 68521 67784 35871 55810 75850 58375 4871 4998 7629 1332.34261067708 1438.68493652344 57391.8880208333 63345.125 5832.7333984375 7079.67431640625 21555.0189732143 294.438330621787 94.2136921855154 18641.1756372028 10905.1646303961 1557.01797284251 1983.12827462029 1763.01621934369 634 6.534 689.51593 w/o MS2:SE 24:1;O4/21:5 [M-H]- 0.75 False 9.36 689.51501 C45H70O5 DCAE DBZZXQUMIRNQMG-UHFFFAOYSA-N O=C(O)CCC(C)C1CCC2C3CCC4CC(OC(=O)CCCCC=CCC=CCC=CCC=CCC=CCC)CCC4(C)C3CC(O)C12C 530 True True False False False null null 99.6 100 null null null 74.06 IS 1 689.51593:5631 690.51928:2558 691.52264:803 35485 35873 36960 0 0 58813 53333 49380 33280 31803 31722 31116 28504 29157 0 27636 27209 31181 37207 33160 23673 36323 32405 35453 0 56073.05859375 28675.43359375 31346.7975260417 34727.0885416667 36105.99609375 33566.0242745536 0 3875.44786962953 2180.64660834914 6946.93650862338 2057.32691828028 764.388701825608 7161.67973024529 635 7.422 689.56873 w/o MS2:PE-Cer 12:0;2O/24:0 [M-H]- ion correlated with 521 0.542 True 10.71 689.5603 C38H79N2O6P PE_Cer GPPKPCOWSTWTTL-UHFFFAOYSA-N O=C(NC(COP(=O)(O)OCCN)C(O)CCCCCCCCC)CCCCCCCCCCCCCCCCCCCCCCC 530 True True False False False null null 83 99.9 null null null 112.38 P. room temp 1 689.56873:9350 690.57208:4584 691.57544:1109 61.98812:4340 62.0198:15 62.0363:7 62.07696:24 62.29767:22 62.32222:13 152.99728:22 328.27365:40 374.28354:29 582.01862:87 626.58057:20 629.56982:70 689.44208:15 689.56006:37 689.62396:42 53383 60094 62855 0 0 0 0 27838 29973 28572 28213 30111 31407 30690 0 7078 4261 7535 7194 4688 3450 74177 54560 59884 0 0 6291.51806640625 5110.962890625 62874.0078125 58777.33203125 29543.6155133929 0 0 1773.11902356161 1907.39671069456 10144.3364428381 4871.36570830128 1348.91534972332 636 9.304 689.58893 Unknown [M-H]- similar chromatogram in higher mz_696 0.542 True null null null null null null 999 False False False False False null null null null null null null 414.78 QC-3 689.58716:12063 690.59051:8792 691.59387:1708 185.05991:80 210.06987:23 283.24432:51 284.26166:18 331.3559:17 410.22906:31 410.28098:803 410.74866:10 411.25305:8 411.28809:19 432.93918:11 450.34842:140 450.68927:6 451.34973:55 670.06403:18 685.51013:11 688.49133:28 689.28052:39 689.38025:26 689.44696:137 689.5874:7652 689.6767:102 689.72491:26 689.80859:41 689.95184:34 689.99719:35 690.03735:27 7039 7360 8544 0 0 0 0 95656 90081 86226 84390 87718 85514 86456 0 317484 309050 196355 354928 399729 343785 8230 4097 7095 0 0 274296.5 366147.302083333 6474.296875 7647.73323567708 88005.7477678571 0 0 67630.9069460676 29611.55427642 2135.23523592961 792.94966984391 3824.80872344879 637 7.901 690.58105 w/o MS2:RIKEN N-VS1 ID-4243 from Mouse_Feces_WT_N_Ctr [M-H]- ion correlated with 895; similar chromatogram in higher mz_895 0.25 False 12.5 690.58087 Unknown 530 True True False False False null null 100 99.9 null null null 201.3 P. room temp 3 690.58105:11193 691.5844:5403 692.58776:5074 80132 79509 84662 0 0 0 0 19900 20700 20811 19886 19070 20450 20953 0 2467 1923 1863 1427 1938 1619 80527 68819 91582 0 0 2084.00752766927 1661.28287760417 80309.3020833333 81434.203125 20252.8479352679 0 0 332.846400091765 258.171990181683 11383.0259176821 2812.27472994323 670.758875751222 638 5.67 691.51459 w/o MS2:RIKEN N-VS1 ID-4253 from Mouse_Feces_WT_N_Ctr [M-H]- 0.208 False 10.31 691.51617 Unknown 530 True True False False False null null 98.7 99.9 null null null 70.41 B. cold 1 691.51459:5603 692.51794:3072 693.5213:912 214 565 0 0 0 0 0 17399 18845 14035 18097 13628 16846 17052 0 39880 31915 44617 48110 27950 25699 0 254 0 0 0 38804.1875 33919.736328125 84.5460052490234 259.609659830729 16557.2806919643 0 0 6419.17476299432 12340.5736344316 146.437976668294 285.316355669294 1982.32680135633 639 8.542 692.65692 Cer 44:1;3O|Cer 19:1;3O/25:0 [M-H]- adduct linked to 782_[M+CH3COO]-; found in higher mz's MsMs_782 0.542 True 13.21 692.65619 C44H87NO4 Cer_NP ABAYNCLHMKYUGG-UHFFFAOYSA-N O=C(NC(CO)C(O)C(O)CCCC=CCCCCCCCCCC)CCCCCCCCCCCCCCCCCCCCCCCC 410 True True True False False null null 95.2 99.9 75.9 38.4 100 201.63 B. room temp 1 692.65692:20368 693.66027:13380 694.66363:2895 158.97466:34 184.22426:30 267.22977:214 267.62357:9 280.26208:16 305.93024:39 372.32663:36 392.3873:56 393.36899:59 418.42227:18 436.32993:48 436.38397:18 436.41479:124 448.41382:100 449.51688:8 455.21982:28 646.53772:28 647.54852:30 656.64594:28 660.64233:17 690.50629:7 691.08423:5 691.11475:33 691.4325:9 692.03253:12 692.28711:44 692.42719:21 692.45844:51 692.65552:11709 692.78625:115 692.88989:38 692.95728:45 692.98987:51 693.05865:51 693.13104:46 0 0 252 0 0 0 0 37930 45468 41623 45906 42786 44969 44771 0 153693 132410 111485 117173 88778 70865 339 0 0 0 0 132529.421875 92271.9140625 113.166493733724 83.9891357421875 43350.5334821429 0 0 21103.9635604474 23350.788353251 196.010116861235 145.473450389268 2838.19560870501 640 5.539 693.49451 w/o MS2:PE-Cer 13:1;2O/24:4 [M+FA-H]- ion correlated with 456; ion correlated with 281; adduct linked to 674_[M+Hac-H]- 0.208 False 8.96 693.49768 C39H71N2O6P PE_Cer SCHHEMMNRJJHTQ-UHFFFAOYSA-N O=C(NC(COP(=O)(O)OCCN)C(O)C=CCCCCCCCC)CCCCCCCCCCC=CCC=CCC=CCC=CCC 530 True True False False False null null 95.1 99.9 null null null 108.57 B. cold 1 693.49451:7269 694.49786:4786 695.50122:0 0 0 0 0 0 0 0 15023 13866 13593 14766 13550 13062 13239 0 41411 33543 31244 50076 26846 32796 0 0 0 0 0 35399.384765625 36572.6640625 0 0 13871.1997767857 0 0 5331.99546113612 12066.9831121182 0 0 748.717079650776 641 8.109 694.63757 Cer 43:1;4O|Cer 18:0;3O/25:1;(2OH) [M-H]- adduct linked to 749_[M+FA-H]-; adduct linked to 786_[M+CH3COO]-; adduct linked to 1249_[2M-H]-; found in higher mz's MsMs_786; found in higher mz's MsMs_749; similar chromatogram in higher mz_1243 0.792 True 12.93 694.6355 C43H85NO5 Cer_AP CWRZMEPEKPUPFD-UHFFFAOYSA-N O=C(NC(CO)C(O)C(O)CCCCCCCCCCCCCC)C(O)CCCCCCCCCCCC=CCCCCCCCCCC 410 True True True False False null null 100 99.9 100 75.2 100 2886.66 B. cold 1 694.63678:256896 695.64013:155593 696.64349:37574 41.99665:35 78.95129:21 88.03152:36 100.04135:25 110.67657:18 121.95599:7 225.22231:77 227.18048:17 255.19823:64 255.2326:171 266.24561:39 267.22696:98 278.24637:26 280.26077:23 280.6427:7 284.1907:32 284.26071:70 307.48993:25 308.26599:27 317.20813:17 329.4202:20 330.32385:41 332.58234:16 349.29095:39 349.34668:374 350.29266:16 377.33951:49 390.36841:69 391.181:9 391.22903:39 392.34393:43 394.33035:35 394.36694:151 395.30313:65 395.35172:802 395.61548:23 395.71854:5 395.84311:14 402.37085:88 403.29501:29 409.2359:35 415.30536:48 420.38287:55 432.37698:23 435.23419:60 436.36984:60 438.36823:59 438.39124:369 438.91135:19 450.32663:24 450.3576:20 450.39331:272 452.14862:19 456.17664:39 503.91867:16 545.35138:22 625.19653:22 646.61017:22 658.61145:62 660.43799:28 663.15057:5 676.58575:23 676.61969:132 689.94934:9 690.0415:14 690.08545:12 690.17627:24 690.28516:13 690.35779:16 690.38263:25 690.57147:7 690.62097:27 690.68469:18 690.78461:22 690.92084:42 691.15698:45 691.23877:16 691.33844:15 691.39777:8 691.46912:29 691.68396:17 691.73138:19 692.12933:11 692.21118:32 692.27991:29 692.4021:9 692.62085:7 692.94165:21 692.98584:61 693.11469:16 693.1759:36 693.28436:13 693.44165:17 693.54901:19 693.62799:14 693.81213:35 693.91223:8 694.10645:21 694.13983:27 694.23047:37 694.28503:37 694.42975:553 694.63495:152623 207158 227771 273918 0 0 0 0 960397 1071662 1056884 1071295 1072747 1055983 1062372 559 2520841 2503049 1933653 2119158 2260159 1759822 311728 233711 272863 186.424194335938 0 2319181.20833333 2046379.66666667 272766.890625 236282.447916667 1050191.54464286 322.896176349938 0 333995.388138873 257985.926284305 39008.5803514233 34184.4906889288 40217.8739685206 642 8.977 694.66565 w/o MS2:Cer 12:0;2O/32:0;(2OH) [M-H]- ion correlated with 1072; adduct linked to 787_[M+CH3COO]-; found in higher mz's MsMs_787; similar chromatogram in higher mz_964; similar chromatogram in higher mz_1072; similar chromatogram in higher mz_794; similar chromatogram in higher mz_975 0.167 False 13.36 694.67188 C44H89NO4 Cer_ADS QKIUNTYNMPNNCZ-UHFFFAOYSA-N O=C(NC(CO)C(O)CCCCCCCCC)C(O)CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC 530 True True False False False null null 82.4 99.9 null null null 73.38 B. room temp 3 694.66565:4078 695.669:2178 696.67236:566 7733 6814 5796 0 0 0 0 19218 22914 25751 22098 24078 18429 20761 0 18121 13065 30431 16764 19919 15969 7179 5205 6643 0 0 20538.9264322917 17550.7841796875 6342.67936197917 6781.140625 21892.6872209821 0 0 8931.60162888654 2088.90610613503 1020.7925753782 969.077138589924 2619.92992061614 646 5.736 695.46649 PA 36:4|PA 16:0_20:4 [M-H]- 0.125 True 8.58 695.4657 C39H69O8P PA WZKHHBHWAXZUGV-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCC=CCC=CCC=CCC=CCC)COP(=O)(O)O)CCCCCCCCCCCCCCC 410 True True True False False null null 100 100 44.5 43.2 100 258.47 B. room temp 1 695.46698:67534 696.47033:28082 697.47369:5714 44.99775:140 59.01235:44 78.94589:41 78.95829:106 96.96677:39 114.32561:21 134.99452:34 152.99495:469 153.04919:11 205.19608:15 217.00279:29 255.17752:41 255.20796:31 255.23267:565 255.26051:18 255.38179:23 255.48119:10 255.56406:15 267.74817:39 279.21124:84 303.23157:372 303.97989:6 365.32709:23 365.34268:22 366.34503:21 381.284:20 391.14233:45 391.22433:1804 391.2785:51 391.29953:9 391.40891:21 391.44992:20 392.2023:14 392.22833:16 409.08432:37 409.1752:24 409.23416:496 410.25229:11 433.23459:17 439.16696:25 439.22565:257 439.36249:33 439.4639:10 449.00433:13 457.23523:53 525.53302:11 573.44971:46 574.98157:29 635.53241:5 651.47668:17 677.44891:35 677.52948:15 691.362:16 691.47864:7 691.69678:10 694.62061:6 694.80615:27 694.82654:23 695.21765:52 695.28894:201 695.46588:33330 695.74609:90 695.80707:39 695.90143:71 695.9339:85 140883 111369 134967 43815 6415 975 1433 56134 389025 350848 249395 38544 117575 135780 13516 2024316 2068099 953107 1297944 1242569 1031143 40406 128860 178108 21248.7462565104 1204.09582519531 1681840.66666667 1190551.79166667 115791.557291667 129072.848958333 191042.949776786 19862.7425179676 324.186879987594 631481.119091536 140801.321994767 69774.8177440051 15615.1077360979 140265.930808118 647 5.819 695.46667 PA 36:4|PA 16:0_20:4 [M-H]- 0.417 True 8.58 695.4657 C39H69O8P PA WZKHHBHWAXZUGV-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCC=CCC=CCC=CCC=CCC)COP(=O)(O)O)CCCCCCCCCCCCCCC 410 True True True False False null null 100 100 59.1 42.9 100 79.94 B. room temp 3 695.46564:26325 696.46899:9346 697.47235:2781 61.98982:38 78.95821:248 152.99539:152 176.98012:16 255.19972:32 255.23207:376 256.75543:6 283.26562:17 303.23383:57 324.74121:23 351.60709:15 390.97726:28 391.22501:438 391.5719:32 403.13647:6 409.23798:89 410.25116:36 417.23749:49 439.22495:141 457.24432:14 605.07617:51 690.65924:7 694.37836:18 694.84265:14 695.17957:8 695.23456:49 695.27454:84 695.46497:11578 695.60486:76 695.64447:26 695.68378:68 695.75598:36 695.81842:26 695.87762:33 695.93585:51 140883 111369 134967 43815 9178 2575 1433 346007 389025 350848 249395 236837 117575 135780 32681 2025251 295787 953107 1297944 1242569 1031143 219599 128860 178108 28558.2259114583 2004.12756347656 1091381.77083333 1190551.85416667 175522.5703125 129072.848958333 260780.801339286 17682.589055354 807.228854618672 872984.15923604 140801.309704773 45424.7319632023 15615.1077360979 106972.042803488 648 7.901 696.60797 w/o MS2:RIKEN N-VS1 ID-4331 from Mouse_Ear_fads2KO_N_Ctr [M+FA-H]- ion correlated with 914; adduct linked to 681_[M+CH3COO]- 0.375 False 11.11 696.61157 Unknown 530 True True False False False null null 93.7 99.9 null null null 99.63 B. room temp 2 696.60797:10345 697.61132:4588 698.61468:1404 4527 6259 6947 0 0 0 0 33543 32718 31141 28747 28402 29137 29122 0 84703 83852 67390 68207 59396 53392 7805 6204 7881 0 0 78648.4635416667 60331.7395833333 7296.72542317708 5911.35400390625 30401.4266183036 0 0 9759.6669340284 7451.43555224637 946.844463304978 1246.98926561136 2071.60390735072 649 7.483 696.61578 w/o MS2:Cer 12:0;2O/28:1;(2OH) [M-H]- similar chromatogram in higher mz_795; similar chromatogram in higher mz_967; similar chromatogram in higher mz_1204; found in higher mz's MsMs_732 0.792 True 12.18 696.61481 C40H79NO4 Cer_ADS IOXYEPFNJJSHOD-UHFFFAOYSA-N O=C(NC(CO)C(O)CCCCCCCCC)C(O)CCCCCCCCCCCCCCC=CCCCCCCCCCC 530 True True False False False null null 99.8 99.9 null null null 215.86 B. cold 1 696.61578:43811 697.61913:26216 698.62249:4975 74.02334:37 75.00885:239 100.0413:27 102.05751:30 118.04966:233 130.05038:209 130.13104:11 152.99374:33 237.22223:63 255.23206:43 256.23154:36 256.38644:25 267.23239:95 280.26657:30 300.90897:8 303.23898:24 342.24286:57 358.51492:10 360.46072:14 374.26266:117 374.29105:926 374.74625:6 374.93097:39 375.33923:8 375.85486:16 391.22501:98 392.2276:35 397.3287:8 410.23615:63 439.22256:27 440.22391:31 443.25208:13 505.32358:34 565.34155:21 631.83228:48 636.22614:25 637.41193:318 637.64343:9 637.93561:13 691.43414:12 691.82037:17 692.32404:11 692.36578:21 692.45673:10 692.58398:9 692.61188:7 692.64783:11 692.77496:16 693.68848:11 694.54053:11 694.75909:9 695.57904:12 695.81512:30 696.08948:17 696.21637:31 696.37885:66 696.46924:892 696.61444:29943 696.86975:42 696.90723:56 696.95471:45 697.03314:26 697.06628:61 24772 30232 33341 0 0 0 0 67999 69668 71177 67860 63815 61168 65404 0 160171 169043 121312 317406 281089 199081 52693 39614 45244 0 0 150175.46875 265858.932291667 45850.4479166667 29448.2532552083 66727.2081473214 0 0 25387.2761646327 60614.9461852287 6560.61248974093 4337.90754992791 3475.67467648223 650 8.568 696.65198 Cer 43:0;4O|Cer 18:0;3O/25:0;(2OH) [M-H]- adduct linked to 759_[M+FA-H]-; found in higher mz's MsMs_759; adduct linked to 791_[M+CH3COO]-; found in higher mz's MsMs_791; similar chromatogram in higher mz_733; similar chromatogram in higher mz_796; similar chromatogram in higher mz_1085 0.792 True 13.22 696.65112 C43H87NO5 Cer_AP YADUGDLSXPPFIP-UHFFFAOYSA-N O=C(NC(CO)C(O)C(O)CCCCCCCCCCCCCC)C(O)CCCCCCCCCCCCCCCCCCCCCCC 410 True True True False False null null 100 99.9 99 75.5 100 1394.45 P. room temp 3 696.65167:102565 697.65502:56483 698.65838:11830 44.0134:65 49.66083:25 210.07462:16 225.21767:31 241.21863:40 255.23212:140 267.23349:46 280.26144:19 284.26031:38 288.89417:17 308.25714:16 330.5069:38 344.68323:43 351.36185:163 374.43045:53 378.3721:29 379.34732:25 391.18903:38 392.16696:22 392.29697:12 396.37488:31 397.37018:341 398.08075:13 422.39871:69 423.79181:16 440.41019:69 452.41251:143 505.32126:81 505.37891:6 506.35043:24 637.28497:16 637.33185:18 637.42224:70 664.62878:37 666.52759:24 676.01727:19 692.08557:14 692.2038:9 692.32208:8 692.37653:16 692.43109:8 692.58911:17 692.67657:14 693.11859:8 693.33154:5 693.71375:13 693.77905:17 694.79718:34 695.12518:5 695.27997:30 695.38934:36 695.47736:22 695.94141:44 695.99084:8 696.10748:9 696.36462:11 696.39258:65 696.47449:597 696.65222:58579 697.13135:91 966202 828354 865318 15763 2750 1397 0 524075 604841 624527 547293 566434 459867 505696 1818 314141 268886 284050 235226 309634 230276 767213 669460 843057 6776.96110026042 698.632385253906 289025.677083333 258378.958333333 759910.25 886624.666666667 547533.1875 7795.99137025282 988.015394339139 23034.0571962528 44457.5458608663 87028.6078809676 71351.3925593983 57089.6430639762 651 6.56 697.50525 Unknown [M+Hac-H]- adduct linked to 620_[M+FA-H]- 0.542 True null null null null null null 999 False False False False False null null null null null null null 183.46 B. room temp 3 697.50507:32364 698.50842:17598 699.51178:3510 59.01391:12016 59.04886:33 59.08085:28 59.09979:9 59.12371:30 59.14222:10 59.15427:9 59.17221:13 59.19941:31 59.22213:9 59.2379:11 59.25397:29 59.26728:25 59.30452:32 59.38014:14 59.4105:16 59.42926:20 59.44033:7 59.54159:17 59.56828:8 59.84842:9 68.99529:10 78.9637:39 152.9985:21 167.07394:15 303.23978:31 393.23224:42 417.25153:6 523.32458:45 637.32983:21 637.41473:195 680.00311:27 697.32178:34 697.48169:595 697.62354:26 697.65094:5 697.68744:30 697.87909:7 16783 13032 20253 0 0 0 0 124256 111736 111175 110873 111098 113981 115167 0 236763 293211 257906 110782 183002 148132 11654 14334 15588 0 0 262626.848958333 147305.578125 13858.6171875 16689.0872395833 114040.819196429 0 0 28518.4217223238 36116.9596848178 2009.68201227235 3611.3095650489 4792.99967363748 652 5.761 697.61719 w/o MS2:RIKEN N-VS1 ID-4352 from Mouse_Feces_WT_N_Ctr [M-H]- 0.125 False 7.56 697.61462 Unknown 530 True True False False False null null 96.8 100 null null null 49.1 B. room temp 3 697.61719:3476 698.62054:1865 699.6239:440 0 253 0 0 0 0 0 20322 18832 18607 16888 18254 20027 20352 0 20591 23507 31115 26073 30919 29565 0 0 0 0 0 25071.0748697917 28852.255859375 0 84.3883310953776 19040.1682477679 0 0 5433.77091793015 2500.64102660528 0 146.164877023139 1279.49884579762 653 8.135 698.63043 Cer 40:0;3O [M+CH3COO]- ion correlated with 550; ion correlated with 924; adduct linked to 624_[M+FA-H]- 0.25 True 12.78 698.63037 C40H81NO4 Cer_NP CIMNZQFRNXDRER-UHFFFAOYSA-N O=C(NC(CO)C(O)C(O)CCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCCCCC 420 True True True False False null null 99.4 99.9 61.2 53.1 100 381.49 P. room temp 2 698.63037:22490 699.63372:12760 700.63708:2540 59.01384:132 103.03928:38 122.53647:28 255.03835:27 255.2316:62 257.20386:20 267.20248:44 267.23239:94 267.93369:9 298.28943:16 338.34177:33 339.28946:14 339.32556:95 345.83191:20 353.33908:47 353.98892:21 364.35147:33 364.36835:25 374.29099:22 376.35101:20 380.28946:22 380.34348:28 382.28082:44 382.36908:138 382.94403:7 394.30447:10 394.36734:201 394.90042:10 505.3161:44 506.32053:92 506.37292:5 532.93097:35 572.58264:21 590.59729:30 602.59485:55 607.54395:7 620.55737:37 634.39752:5 635.57306:20 637.44733:16 638.4184:104 638.51984:231 638.60852:10918 638.69287:62 638.76984:38 638.88861:37 638.93127:29 638.9809:58 639.04529:30 639.08167:42 639.12347:34 639.16711:21 639.22815:23 639.25452:51 639.34943:58 639.42371:53 639.50787:39 639.57294:33 639.60931:216 639.79639:24 639.875:19 639.93604:13 640.08282:18 640.14594:6 640.21466:9 640.29443:24 640.35577:7 640.55695:10 640.7149:26 641.32721:21 641.43176:15 642.1651:8 698.37012:30 698.40747:16 698.46228:22 698.48511:19 698.58978:9 698.62775:121 161505 170039 182407 221 0 0 0 68466 72895 61777 55856 63439 62495 62536 0 25964 21875 33107 25714 26043 23412 200812 187333 226544 73.7835235595703 0 26982.005859375 25055.955078125 204896.442708333 171317.213541667 63923.5262276786 127.796811566631 0 5685.00682203643 1433.49009874275 19921.8904322571 10509.5082562026 5400.89784229934 654 7.974 698.63098 w/o MS2:Cer 20:0;2O/20:0;(3OH) [M-H]- 0.792 True 12.6 698.63037 C40H81NO4 Cer_BDS WDJRSVMSGORNBL-UHFFFAOYSA-N O=C(NC(CO)C(O)CCCCCCCCCCCCCCCCC)CC(O)CCCCCCCCCCCCCCCCC 530 True True False False False null null 69.9 99.9 null null null 656.02 P. room temp 1 698.63098:51993 699.63433:33408 700.63769:8934 58.03074:22 59.01294:54 70.02931:32 72.0402:22 74.02604:45 74.99541:68 75.00764:65 87.00689:28 100.0311:33 102.04908:24 116.03841:16 118.05016:112 130.04857:120 146.043:48 198.94231:8 255.23093:19 267.23276:40 270.08725:29 281.25116:26 306.24335:13 308.26016:38 338.272:39 342.26849:45 356.28119:15 366.93591:29 372.40662:8 374.28918:1134 374.6705:12 375.09866:20 375.30508:29 394.34143:28 399.30835:21 505.31641:8 532.92181:27 574.01837:34 609.50879:13 638.41956:428 638.58856:23 638.71027:12 638.79187:23 639.02765:22 639.41364:85 651.27985:31 677.75146:11 680.61523:41 694.04962:9 694.30511:26 694.40466:7 694.54126:8 694.72339:12 695.85938:14 696.1814:40 696.25433:11 697.15729:23 698.30872:24 698.3808:100 698.62988:39866 698.91632:98 698.95624:91 699.00128:58 699.03418:46 268176 286134 300275 3660 480 914 0 227082 236589 239992 229134 225114 214297 214552 0 161767 139007 183747 185190 156124 120156 374111 242418 349526 1380.00410970052 456.803253173828 161506.78125 153823.166666667 322018.239583333 284861.46875 226680.008928571 1989.1452140694 646.017355974578 22371.0257235302 32578.1422003002 70023.5512650904 16086.9631831813 9869.60534877812 655 5.554 699.49683 w/o MS2:PA 8:0_28:2 [M-H]- 0.125 False 8.98 699.49701 C39H73O8P PA BTDNUFVDSZHXOE-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCCCCCCCCCCC=CCC=CCCCCCCC)COP(=O)(O)O)CCCCCCC 530 True True False False False null null 100 99.9 null null null 48.34 P. room temp 3 699.49683:4680 700.50018:2530 701.50354:731 18024 19050 16564 0 0 0 0 14147 12493 12212 12778 13073 12646 14377 0 6221 6828 6165 3749 1788 1434 30838 27852 38020 0 0 6404.89420572917 2323.5830078125 32236.810546875 17879.3411458333 13103.8042689732 0 0 367.44040397186 1246.9469091363 5226.35541291841 1248.98667260495 836.131002690956 656 6.955 699.52148 Unknown [M-H]- 0.792 True null null null null null null 999 False False False False False null null null null null null null 445.23 QC-1 699.52075:30086 700.5241:17856 701.52746:3902 44.99777:34 59.01394:12154 59.04965:61 59.07923:15 59.10625:10 59.12531:6 59.14204:19 59.19753:14 59.20978:12 59.21958:22 59.23551:16 59.25679:23 59.27519:15 59.29936:20 59.33129:11 59.35259:22 59.38986:15 59.41383:5 59.44313:9 59.45645:9 59.49376:6 59.61623:6 59.84342:27 60.4072:23 165.07944:29 200.96091:5 254.22331:20 303.22253:43 363.52615:29 366.94684:15 389.17847:27 409.23941:6 482.5777:12 507.32379:81 532.94281:36 538.98987:25 639.0127:33 639.4187:111 640.37604:40 695.93005:9 699.35138:38 699.37878:15 699.47015:57 699.49762:54 73338 70804 83086 0 0 0 0 216682 204918 196948 182199 185273 180026 183372 0 459354 492510 392070 255609 318370 279638 75931 72148 70875 0 0 447977.875 284538.791666667 72984.7239583333 75742.7473958333 192773.868303571 0 0 51177.3799343644 31666.4332769069 2629.90218426459 6484.15020095244 13877.5810251589 657 8.143 700.60187 Unknown [M-H2O-H]- ion correlated with 1032; similar chromatogram in higher mz_916; adduct linked to 834_[M+Hac-H]- 0.5 False null null null null null null 999 False False False False False null null null null null null null 163.6 B. cold 1 700.60187:10579 701.60522:4947 702.60858:3989 16829 14192 15662 0 0 0 0 61413 56439 56083 63082 61304 64079 64832 239 106138 105907 105846 107553 96229 92765 19557 16889 9856 79.7896677652995 0 105963.807291667 98848.9270833333 15433.7659505208 15560.9104817708 61033.3643973214 138.199758488539 0 154.332131322762 7734.39868837255 5011.59378630044 1321.43374691365 3505.52660885972 658 7.897 700.61041 w/o MS2:Cer 12:0;3O/27:0;(2OH) [M+FA-H]- ion correlated with 594; ion correlated with 694; adduct linked to 572_[M-H]- 0.542 True 11.69 700.60968 C39H79NO5 Cer_AP UVJIZYHAMUHMSR-UHFFFAOYSA-N O=C(NC(CO)C(O)C(O)CCCCCCCC)C(O)CCCCCCCCCCCCCCCCCCCCCCCCC 530 True True False False False null null 99.9 99.9 null null null 305.18 P. room temp 3 700.61041:27412 701.61376:16350 702.61712:3412 61.9872:78 297.58603:38 309.31723:24 355.31827:22 375.29309:6 420.90939:10 590.99628:39 638.42566:16 639.41266:11 640.42065:118 640.76013:19 650.17859:12 650.54877:23 650.74347:8 651.13934:26 651.2099:21 652.54248:34 654.45831:61 654.60413:14450 654.71716:110 654.82239:48 654.87091:40 654.91028:30 654.96985:28 655.07147:34 655.10437:34 655.15741:23 655.2016:23 655.25476:49 655.33557:20 655.40509:19 655.46698:19 655.52893:8 655.6084:400 655.73724:11 655.80322:38 655.99542:9 656.03748:7 656.10413:16 656.21118:8 656.28113:5 656.4032:20 656.67957:14 656.80243:13 656.91864:15 657.33612:9 657.54761:6 657.58307:6 680.6156:11 699.43127:6 699.63293:28 700.42792:27 700.50214:49 700.62817:670 700.77545:5 700.867:16 700.96765:28 701.10486:22 146032 167438 169527 0 0 0 0 67329 60380 58043 51340 54811 46227 44500 0 6126 6740 7533 5426 4508 5158 179513 130909 182250 0 0 6799.58544921875 5030.28922526042 164224.3046875 160998.807291667 54661.41796875 0 0 705.433067653937 471.907335254568 28883.9409049834 13003.9097291068 8062.6431536682 659 1.639 701.24744 Unknown [M-H]- 0.583 True null null null null null null 999 False False False False False null null null null null null null 919.29 QC-1 701.2475:42954 702.25085:27637 703.25421:11982 59.01357:78 137.06366:22 157.07838:16 157.55222:5 188.96828:20 288.22507:21 291.17804:56 327.21732:22 351.76334:18 358.2478:9 369.44537:22 413.28748:48 435.42297:8 465.20398:26 495.17001:29 497.18527:61 523.16449:14 540.01617:16 540.16498:100 554.17993:69 555.0788:18 555.13226:55 555.1861:539 569.22363:15 570.20764:17 575.32831:13 604.49866:53 609.19708:9 617.79883:19 623.38586:10 641.16266:43 641.22095:516 641.37207:11 642.08984:13 669.56012:7 676.55688:9 687.22217:31 695.33514:11 697.05829:45 698.85693:6 699.08508:39 699.69733:25 700.04468:11 700.56592:16 700.67627:7 700.7854:14 701.01007:25 701.10291:221 701.24646:26732 701.41864:181 701.47321:118 701.52576:88 701.56396:86 701.60059:85 701.63647:35 701.71411:56 701.74652:97 22570 20935 13471 0 0 0 0 318870 322594 311116 300823 291833 299663 305203 0 455720 477614 520084 1035807 795087 399612 7965 596 25563 0 0 484472.729166667 743502 11374.7643636068 18992.005859375 307157.446428571 0 0 32725.9666988815 321218.867004776 12827.8192397577 4850.39214008611 11000.6649026929 660 1.567 701.2478 Unknown [M+Hac-H]- adduct linked to 1241_[2M+Hac-H]-; found in higher mz's MsMs_1241 0.083 True null null null null null null 999 False False False False False null null null null null null null 1267.5 B. cold 1 701.2478:122705 702.25115:75954 703.25451:37503 50.59412:18 52.69959:17 59.0138:128 82.9524:7 88.77907:7 126.88557:14 146.98859:19 215.22446:37 248.53088:15 304.48993:19 305.09015:35 315.39999:27 319.23474:21 325.42615:66 327.24243:31 335.22278:50 407.38547:6 418.11349:42 438.13718:18 481.14752:44 481.26718:6 495.17017:43 497.18573:116 523.11938:8 538.65613:11 539.15747:41 540.05646:15 540.16248:326 551.41394:25 554.17993:226 554.34698:16 555.0545:63 555.11261:80 555.18738:1196 555.25909:6 555.39697:10 555.5965:5 555.76355:15 555.87756:6 555.91827:10 556.18701:130 567.19861:13 583.17657:29 595.1897:22 599.21039:35 609.16632:12 626.20111:18 627.20892:19 641.08374:15 641.16339:60 641.224:1027 641.3197:20 641.43347:16 641.89722:10 641.91486:14 642.01117:6 642.21582:31 643.04474:50 665.4046:21 688.25085:11 696.52881:6 696.67572:14 696.86609:20 696.94897:34 697.28827:12 697.36023:18 697.62439:14 700.07233:18 700.24603:15 700.50342:26 700.6662:21 700.7146:40 700.79474:31 700.93195:35 700.96271:29 701.04431:222 701.24823:67795 22570 20935 13471 0 0 0 0 318870 322594 311116 300823 291833 299663 305203 0 455720 477614 520084 1035807 795087 399612 7965 596 25563 0 0 484472.71875 743502 11374.7643636068 18992.0052083333 307157.450892857 0 0 32725.9699735839 321218.867004776 12827.8192397577 4850.39141977935 11000.666776679 661 7.397 701.53735 Unknown [M-H]- ion correlated with 582 0.542 True null null null null null null 999 False False False False False null null null null null null null 32.61 B. room temp 1 701.53534:11655 702.53869:5949 703.54205:1447 59.01379:4995 59.04671:15 59.0613:6 59.0786:9 59.0972:7 59.17691:31 59.18687:7 59.2299:12 59.44363:14 59.61367:10 61.98726:83 66.10129:6 255.23219:96 281.25073:41 307.18457:25 331.55707:49 333.20206:35 505.37177:17 641.41589:42 701.38025:16 701.42596:32 701.53546:223 701.60913:62 8659 7471 7207 0 0 0 0 43238 35376 37640 36486 38233 36901 39113 0 88329 87133 110164 68587 51073 46459 3920 4471 4244 0 0 95208.8489583333 55373.2682291667 4211.56193033854 7779.22477213542 38140.9408482143 0 0 12965.5560157953 11673.6994715861 277.282002939987 773.536262263004 2553.17784986147 662 7.647 702.58112 w/o MS2:SL 12:0;O/28:0;O [M-H2O-H]- ion correlated with 717; ion correlated with 920; ion correlated with 686; adduct linked to 838_[M+Hac-H]- 0.792 True 11.71 702.57123 C40H81NO6S SL VROYNMZGOFFGOD-UHFFFAOYSA-N O=C(N(CC(O)CCCCCCCCC)CS(=O)(=O)O)C(O)CCCCCCCCCCCCCCCCCCCCCCCCCC 530 True True False False False null null 61.9 99.9 null null null 189 B. room temp 2 702.58112:22913 703.58447:10590 704.58783:9161 34.96911:58 59.01242:130 112.85839:5 168.27785:19 250.25536:29 255.14677:26 255.23233:149 256.23804:46 274.63287:43 367.80078:19 409.41214:26 410.36368:27 433.26288:14 556.00818:19 656.33167:44 662.93085:22 665.44043:5 666.4928:30 666.56433:78 666.60248:713 666.81403:14 666.86554:8 667.03094:10 667.44708:39 698.9577:26 699.99036:18 701.37152:17 702.21509:27 702.35889:42 702.41077:91 702.58044:10148 702.70923:51 702.75873:43 702.83154:33 702.90491:22 702.98059:44 57606 60626 70376 0 0 0 0 73214 71395 75389 73818 73028 77350 74399 0 155408 177506 126244 145208 145020 126039 76568 68057 73661 0 0 153052.546875 138755.958333333 72761.9583333333 62869.33984375 74084.8794642857 0 0 25712.3695809627 11013.4356193774 4326.09897349928 6673.649604725 1899.191777904 663 8.596 702.61694 Unknown [M-H2O-H]- ion correlated with 1034; adduct linked to 839_[M+Hac-H]-; similar chromatogram in higher mz_921; similar chromatogram in higher mz_1034 0.792 False null null null null null null 999 False False False False False null null null null null null null 167.94 B. room temp 3 702.61694:11969 703.62029:5909 704.62365:4662 64592 60431 64768 0 0 0 0 84593 90541 96404 97770 95094 78581 88365 0 68329 59810 104288 61901 81750 74501 63659 65514 74030 0 0 77475.6158854167 72717.2057291667 67734.4388020833 63263.9361979167 90192.6328125 0 0 23607.4943990269 10043.908715573 5530.60921027335 2454.81625061528 6948.38903141416 664 2.078 703.26135 Unknown [M-H]- 0.042 False null null null null null null 999 False False False False False null null null null null null null 87.44 B. cold 1 703.26135:4372 704.2647:2869 705.26806:1640 0 0 0 0 0 0 0 4333 5118 7952 4300 7080 8144 4431 0 8573 5795 3075 41563 23664 11723 0 0 0 0 0 5814.50480143229 25649.892578125 0 0 5908.04994419643 0 0 2748.98125744673 15018.9674900976 0 0 1752.28610062074 665 2.338 703.40582 w/o MS2:PG 18:3_12:0;1O [M-H]- ion correlated with 811; ion correlated with 779; ion correlated with 801; ion correlated with 812; adduct linked to 779_[M+FA-H]-; found in higher mz's MsMs_801 0.5 True 7.5 703.41919 C36H65O11P OxPG CRTJLCVSEOONLU-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCC(O)CCCCC)COP(=O)(O)OCC(O)CO)CCCCCCCC=CCC=CCC=CCC 530 True True False False False null null 60.8 99.9 null null null 153.57 P. room temp 3 703.40582:12530 704.40917:4993 705.41253:1166 43.01943:42 95.04874:77 189.09177:598 189.1479:11 189.2287:12 207.07533:52 207.10065:331 253.06143:29 253.092:62 277.21808:406 278.45935:10 363.11664:27 443.18622:32 513.30414:86 552.98022:16 581.34387:10 662.9458:11 703.03656:7 703.09155:8 703.21069:17 703.31158:62 703.40405:3378 703.48523:56 703.54004:17 703.64673:31 703.72382:17 703.77893:14 703.88892:21 105628 108340 111010 0 0 0 0 25117 32007 31424 33145 32294 34692 32631 0 0 0 0 776 483 0 109170 104922 118046 0 0 0 419.610656738281 110712.6875 108326.046875 31615.8297991071 0 0 0 391.675785135246 6697.05987157057 2691.23304732281 3047.21577202557 666 8.026 703.56659 w/o MS2:AAHFA 28:6/19:2;O [M-H]- ion correlated with 1214 0.542 True 12.59 703.56708 C47H76O4 FAHFA ZXVAPBQKYVNNQD-UHFFFAOYSA-N O=C(OC(C(=O)O)CCCCCCC=CCC=CCCCCCC)CCCCCCCCC=CCC=CCC=CCC=CCC=CCC=CCC 530 True True False False False null null 100 99.9 null null null 94.81 B. cold 1 703.5672:11070 704.57055:8283 705.57391:2362 68.7656:23 113.33336:14 255.23097:81 255.96069:16 256.45294:25 279.23218:41 468.33627:63 468.36075:208 469.37073:34 657.33398:26 702.62335:13 702.93726:24 703.02649:9 703.36334:42 703.43103:102 703.46362:133 703.56744:7047 703.6955:17 703.78711:15 703.89648:49 703.93329:33 703.96222:26 704.02533:33 0 365 0 0 0 0 0 23568 24926 24009 23763 23811 23623 22854 0 57275 61151 44622 67859 76650 74233 262 0 0 0 0 54349.1041666667 72913.78125 87.4617513020833 121.790740966797 23793.4924665179 0 0 8643.94973122548 4541.38976921038 151.488196974162 210.947751245952 618.156486091864 667 8.145 704.59668 w/o MS2:Cer 13:2;2O/34:6 [M-H2O-H]- ion correlated with 924; adduct linked to 841_[M+Hac-H]-; similar chromatogram in higher mz_1084 0.542 False 12.44 704.59869 C47H79NO3 Cer_NS FRUIKHPQXUUMIV-UHFFFAOYSA-N O=C(NC(CO)C(O)C=CCCC=CCCCC)CCCCCCCCCCCCCCC=CCC=CCC=CCC=CCC=CCC=CCC 530 True True False False False null null 98 99.9 null null null 244.81 P. cold 1 704.59668:20384 705.60003:8493 706.60339:7810 178319 163258 162325 2190 528 205 325 55816 58388 59078 59429 60621 57009 60256 1460 12068 12758 13486 11981 13362 12909 154720 157299 177395 1392.92073567708 264.949127197266 12770.7975260417 12750.5104166667 163138.1875 167966.921875 58656.6819196429 833.066997344124 84.2837705960268 708.82994966449 704.247634946242 12414.1648160805 8976.91275900915 1734.23221625371 668 2.689 705.42279 w/o MS2:PG 18:2_12:0;1O [M-H]- ion correlated with 807; ion correlated with 816; found in higher mz's MsMs_807; found in higher mz's MsMs_781; similar chromatogram in higher mz_816; adduct linked to 781_[M+FA-H]- 0.542 True 7.73 705.43481 C36H67O11P OxPG JRIUGXMQXCITNU-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCC(O)CCCCC)COP(=O)(O)OCC(O)CO)CCCCCCCC=CCC=CCCCCC 530 True True False False False null null 62.2 99.9 null null null 440.51 P. room temp 3 705.42279:39159 706.42614:18878 707.4295:3783 69.037:104 70.03232:15 95.0397:35 107.08764:18 111.04566:19 131.03677:63 163.0741:55 163.11179:68 189.09174:1395 189.16708:14 189.31918:5 190.20399:14 207.07137:71 207.10265:1202 207.17467:7 207.31921:26 207.40381:20 208.10606:28 235.08282:87 253.09369:198 279.23291:870 279.4465:22 280.2326:60 425.1799:123 443.1358:61 443.1553:44 443.19122:200 443.27393:10 515.31805:188 515.66986:7 516.25018:13 591.02655:10 621.29535:28 700.92236:10 701.17859:22 701.8009:13 702.46014:17 705.12628:21 705.21851:32 705.42218:12780 705.56665:47 705.61926:53 705.72479:31 705.79718:30 705.84357:29 705.91705:29 255298 268744 276282 0 0 0 0 72296 89929 94043 90748 97871 96151 94778 0 0 235 289 555 542 1961 299383 281692 322109 0 0 174.506724039714 1019.1669514974 301061.34375 266774.864583333 90830.9787946429 0 0 153.527042165307 815.269303477676 20260.5222738357 10629.8292209672 8642.01247709294 669 8.215 705.58539 w/o MS2:AAHFA 28:6/19:1;O [M-H]- ion correlated with 671; similar chromatogram in higher mz_934 0.25 False 12.86 705.5827 C47H78O4 FAHFA YELIUHCHWJOKHY-UHFFFAOYSA-N O=C(OC(C(=O)O)CCCCCCC=CCCCCCCCCC)CCCCCCCCC=CCC=CCC=CCC=CCC=CCC=CCC 530 True True False False False null null 96.5 99.9 null null null 176.29 P. room temp 3 705.58539:11130 706.58874:8941 707.5921:2615 82419 64119 66154 0 0 0 0 28254 22633 21112 22701 21112 23970 20780 0 754 535 4118 2883 1916 2254 79222 83062 74921 0 0 1802.18086751302 2350.93469238281 79068.3932291667 70897.6080729167 22937.55859375 0 0 2008.44219342565 490.63723603928 4072.49791149806 10029.7292123088 2607.52146406571 670 8.356 705.58759 w/o MS2:AAHFA 28:6/19:1;O [M-H]- 0.25 False 12.86 705.5827 C47H78O4 FAHFA YELIUHCHWJOKHY-UHFFFAOYSA-N O=C(OC(C(=O)O)CCCCCCC=CCCCCCCCCC)CCCCCCCCC=CCC=CCC=CCC=CCC=CCC=CCC 530 True True False False False null null 88.8 99.9 null null null 62.26 P. room temp 3 705.58759:11870 706.59094:10372 707.5943:2739 289 452 216 0 0 0 0 16745 13928 19528 17342 17020 12935 17800 0 44898 51954 20469 41624 45122 48546 452 356 91647 0 0 39106.6666666667 45097.4622395833 30818.5497334798 319.082763671875 16471.3042689732 0 0 16521.8749816053 3460.79211682409 52679.1131187494 120.707632095023 2281.08104532828 671 8.159 706.59552 w/o MS2:Cer 13:0;2O/28:3;(2OH) [M-H]- ion correlated with 624; ion correlated with 1037; ion correlated with 841; ion correlated with 669 0.042 False 11.72 706.59912 C41H77NO4 Cer_ADS GDFLBPMQTSBYSY-UHFFFAOYSA-N O=C(NC(CO)C(O)CCCCCCCCCC)C(O)CCCCCCCCCCCC=CCC=CCC=CCCCCCCC 530 True True False False False null null 93.7 99.9 null null null 148.36 P. cold 2 706.59552:7418 707.59887:2196 708.60223:552 87275 70449 68103 281 0 0 0 24444 28012 25063 26123 27996 23094 23670 0 3604 3931 4259 4974 3936 3934 82697 76121 89941 93.6334737141927 0 3931.21598307292 4281.26708984375 82919.5182291667 75275.9453125 25485.8903459821 162.177933762147 0 327.294950946084 599.787374661708 6912.69193939809 10457.7389172348 1973.91998707419 672 3.147 707.43549 w/o MS2:DGGA 8:0_22:4 [M-H]- ion correlated with 821; ion correlated with 815 0.042 False 7.71 707.43762 C39H64O11 DGGA BYPSQEOYQNUDOE-UHFFFAOYSA-N O=C(O)C1OC(OCC(OC(=O)CCCCCCC)COC(=O)CCCCCCCCC=CCC=CCC=CCC=CCC)C(O)C(O)C1O 530 True True False False False null null 97.7 99.9 null null null 61.24 P. room temp 3 707.43549:3062 708.43884:1514 709.4422:399 20991 21206 21045 0 0 0 0 7665 9902 9235 8708 8434 9438 9576 0 579 0 0 390 233 887 23077 22656 27051 0 0 192.924051920573 503.265284220378 24261.17578125 21080.9251302083 8993.87248883929 0 0 334.154259928488 341.653464478211 2424.82610393706 111.883561376116 772.240110861306 673 4.889 707.46521 w/o MS2:PA 9:0_28:5 [M-H]- 0.125 False 8.62 707.4657 C40H69O8P PA AYLCCUWECMPFNR-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCCCCCCC=CCC=CCC=CCC=CCC=CCC)COP(=O)(O)O)CCCCCCCC 530 True True False False False null null 99.9 99.9 null null null 76.36 P. cold 2 707.46521:4033 708.46856:2378 709.47192:682 28323 29655 27658 0 0 0 0 8891 9152 9551 7177 7798 8312 9512 0 1610 1022 1729 7128 4482 1187 8447 6673 15324 0 0 1453.80753580729 4265.59631347656 10148.1362304688 28545.3444010417 8627.59856305804 0 0 378.20652952142 2975.98966732578 4569.08145125547 1017.17113727556 901.025153285936 674 5.542 707.5105 w/o MS2:PE-Cer 12:1;2O/26:4 [M+Hac-H]- adduct linked to 640_[M+FA-H]- 0.292 True 9.11 707.51331 C40H73N2O6P PE_Cer USOHVJZSBCJKLQ-UHFFFAOYSA-N O=C(NC(COP(=O)(O)OCCN)C(O)C=CCCCCCCC)CCCCCCCCCCCCC=CCC=CCC=CCC=CCC 530 True True False False False null null 98.1 99.9 null null null 106.26 B. cold 1 707.5105:12025 708.51385:8470 709.51721:1881 59.01401:4404 59.05419:38 59.06243:20 59.07571:6 59.09974:10 59.13137:14 59.21389:23 59.2591:15 59.32562:12 59.3707:19 59.44811:9 59.68012:16 59.91794:11 81.07151:56 83.04995:78 93.06831:10 107.05862:57 107.09071:20 109.06675:9 113.09538:69 129.09351:42 129.29654:5 135.08202:29 139.11452:33 165.12733:64 171.00745:67 173.13345:221 174.17896:12 185.04971:52 185.09663:42 191.10568:34 203.27357:23 204.11256:13 217.12379:35 237.20596:41 246.1255:35 253.21742:8 255.17564:21 255.2319:2270 255.35811:9 255.42438:26 255.44923:22 255.49529:11 255.60114:6 255.98798:19 273.22339:202 281.18951:23 281.22662:84 283.20688:44 293.24402:30 295.16406:13 299.19965:96 303.23276:39 317.14389:38 317.21191:408 317.45221:9 318.28949:23 318.38156:7 335.21634:32 395.29178:20 409.25397:26 409.27051:33 417.20078:10 463.35416:31 519.39355:12 551.8255:7 573.45856:25 625.44659:45 707.45551:86 367 426 544 0 0 0 0 23442 27551 25716 23596 26999 20254 22477 0 83280 70515 61706 85673 54783 57786 1061 122 8 0 0 71833.4986979167 66080.6380208333 396.816291968028 445.901112874349 24290.7151227679 0 0 10846.8756844929 17033.9888343655 577.715231001392 90.1859641345354 2607.02250956939 675 8.761 707.59485 w/o MS2:FAHFA 19:3/28:3;O [M-H]- 0.542 True 12.94 707.59839 C47H80O4 FAHFA SEDNFFHYHPKMJB-UHFFFAOYSA-N O=C(O)CCCCCCCC(OC(=O)CCCCCCCCC=CCC=CCC=CCC)CCCCC=CCC=CCC=CCCCCCCC 530 True True False False False null null 64 99.9 null null null 1183.15 B. cold 2 707.59485:106552 708.5982:71790 709.60156:17103 56.50949:14 108.08643:8 152.85103:33 157.84756:16 183.08089:28 185.04123:25 185.05922:47 255.23689:17 256.23706:41 313.82385:6 320.69861:40 402.37238:17 410.28519:34 429.75134:12 433.34821:11 450.34363:56 468.25159:56 468.28586:89 468.35941:1787 468.4353:25 468.48956:7 468.66736:9 468.78687:9 469.1066:12 469.36469:347 469.40802:6 469.4754:6 469.57275:10 470.15704:13 470.45673:13 476.66779:20 491.66855:5 548.28436:15 553.60736:34 586.36084:14 594.41669:18 620.33325:10 647.23792:12 665.1261:18 677.59027:16 690.62195:23 702.54077:78 702.79956:7 702.87054:13 702.99878:6 703.03809:16 703.09344:16 703.15454:20 703.19904:10 703.35614:8 703.48444:17 703.74109:42 703.76855:15 704.03253:6 704.54187:12 704.63525:19 705.4104:12 705.51154:53 705.63983:7 705.74084:60 705.89685:35 705.98773:12 706.28253:10 706.37433:10 706.44714:9 706.58557:17 706.78741:9 707.1828:5 707.24707:22 707.27954:37 707.34912:41 707.59845:77876 4621 3946 3689 0 0 0 0 208730 198460 200881 201535 203951 206338 201662 0 734546 762666 458785 674986 767436 659953 5412 4237 4450 0 0 651998.989583333 700791.833333333 4699.83919270833 4085.18131510417 203079.582589286 0 0 167917.721577968 58202.818230243 626.257321125024 481.315341664751 3509.01626925181 676 6.537 708.54517 w/o MS2:RIKEN N-VS1 ID-4514 from Mouse_Feces_WT_N_Ctr [M-H]- 0.042 False 9.5 708.54681 Unknown 530 True True False False False null null 98.7 100 null null null 62.96 IS 2 708.54517:3148 709.54852:90080 710.55188:36994 13701 13638 14662 0 0 19199 26965 9100 7573 8501 9816 10130 10862 9599 0 10936 11742 9951 13215 12595 6914 14732 12551 14222 0 23081.7109375 10876.2291666667 10907.8177083333 13834.8636067708 14000.3707682292 9368.74253627232 0 5491.21172386357 897.081580401095 3472.97797345602 1141.07185662415 573.713471226216 1088.77236587228 677 8.321 708.65271 Cer 44:1;4O|Cer 18:0;3O/26:1;(2OH) [M-H]- ion correlated with 714; adduct linked to 785_[M+FA-H]-; adduct linked to 819_[M+Hac-H]-; similar chromatogram in higher mz_1242; found in higher mz's MsMs_819; found in higher mz's MsMs_785 0.542 True 13.21 708.65112 C44H87NO5 Cer_AP NFFFGOSRAONQJT-UHFFFAOYSA-N O=C(NC(CO)C(O)C(O)CCCCCCCCCCCCCC)C(O)CCCCCCCCCCCCC=CCCCCCCCCCC 410 True True True False False null null 100 99.9 100 75.4 100 1182.45 B. cold 1 708.65198:78332 709.65533:51030 710.65869:11519 35.40757:24 41.0019:37 59.0166:19 60.04385:35 61.9881:13 72.04758:18 88.04137:60 222.06053:27 225.22261:56 255.23302:85 264.27475:37 279.23566:28 280.26694:26 284.26102:135 311.25244:19 316.29001:6 363.36462:129 363.57092:5 386.38187:14 390.36926:14 391.35526:44 406.37:13 408.38437:134 409.36835:282 422.96872:29 434.38464:64 435.38977:8 450.38962:34 452.41196:111 464.30707:16 464.40729:125 642.61414:19 648.20599:5 648.51471:56 648.62335:59 649.23572:25 659.99561:11 662.61835:25 690.64447:57 703.85181:5 704.05078:29 704.08136:12 704.39056:7 704.48456:40 704.88818:22 705.17084:6 705.24591:16 705.39282:29 706.17285:6 706.7334:18 707.17108:5 707.49011:12 707.75342:22 707.86133:19 707.90045:24 707.96484:10 708.27747:24 708.3147:59 708.35052:60 708.44458:125 708.65222:50898 709.06549:48 709.14252:70 7712 8994 10315 0 0 0 0 283742 297394 295763 284967 287348 293526 292043 0 827329 805688 580698 633397 678590 513419 13778 8632 9569 0 0 737904.916666667 608468.6875 10659.5618489583 9006.7685546875 290683.107142857 0 0 136574.8856934 85360.3456127546 2740.8414352639 1301.58076650746 5365.67754156889 678 5.325 709.48267 w/o MS2:PMeOH 16:0_20:4 [M-H]- 0.667 True 8.69 709.48138 C40H71O8P PMeOH GLAIFIDZABIAJR-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCC=CCC=CCC=CCC=CCC)COP(=O)(O)OC)CCCCCCCCCCCCCCC 530 True True False False False null null 78.7 99.9 null null null 495.15 P. cold 2 709.48267:76570 710.48602:48745 711.48938:10313 44.99554:59 59.01292:29 61.61771:16 61.98851:21 102.31708:8 110.98432:33 157.03693:13 167.01128:45 205.19804:78 255.23209:1119 255.46915:31 256.2374:22 256.25809:14 259.11942:20 259.24332:250 282.89359:9 301.21509:19 303.15524:32 303.1774:55 303.23273:3732 303.30011:56 303.35983:7 303.37857:12 303.45013:7 303.53326:23 303.70901:7 303.93787:13 303.96207:32 304.15781:23 304.23923:73 304.29944:19 304.82407:25 306.0379:27 315.09787:20 351.5369:20 357.27991:47 406.24319:23 406.29199:5 420.92392:8 423.20764:45 423.25131:281 423.35757:13 423.88403:13 424.21115:25 471.2597:40 505.09903:27 545.47089:8 593.35217:22 647.48883:6 695.79871:17 704.6955:16 704.93414:9 704.9986:9 705.03503:20 705.09821:36 705.1543:6 705.22772:11 705.75104:14 706.14178:22 706.39362:9 706.80939:16 707.00903:10 707.08264:15 707.75348:16 708.39349:17 708.45227:6 708.51398:8 709.05017:22 709.16064:64 709.21735:26 709.28265:129 709.48138:51131 709.91888:91 709.94916:128 524266 533593 510334 0 0 0 0 181042 173881 167502 163100 169469 169881 160882 0 15861 12099 17151 99356 55525 33822 198660 140468 325087 0 0 15036.8333333333 62901.1015625 221405.192708333 522731.166666667 169393.928571429 0 0 2625.16278219679 33383.6036589468 94387.85209255 11705.0408814518 6729.1950156269 679 6.838 709.50555 Unknown [M+FA-H]- adduct linked to 713_[M+Hac-H]- 0.542 True null null null null null null 999 True False False False True null null null null null null null 532.05 B. room temp 2 709.50555:43563 710.5089:23422 711.51226:5047 44.84909:11 44.95328:26 44.99764:9583 45.02284:26 45.05992:19 45.07383:17 45.08874:13 45.10719:30 45.12082:8 45.13417:17 45.14846:25 45.16203:21 45.19106:11 45.21557:21 45.23175:17 45.27821:19 45.32473:14 45.33177:20 45.62298:7 61.98761:22 709.12653:16 709.45575:26 709.49933:256 709.54254:200 709.63452:20 709.91071:44 20013 19569 20799 0 0 0 0 172738 154719 152167 143570 141343 134861 135917 0 294446 332246 272353 178716 206186 190405 22478 22139 22632 0 0 299681.885416667 191768.760416667 22416.3678385417 20127.1686197917 147901.845982143 0 0 30287.8196034864 13785.611320807 252.242021661967 622.821836579646 13272.6489870982 680 6.544 709.55316 PE 15:0_18:1(d7) [M-H]- 0.875 True 9.61 709.55188 C38H67D7NO8P PE ADCNXGARWPJRBV-RGLIIYCRNA-N [C@](COP(=O)(O)OCCN)([H])(OC(CCCCCCC/C=C\CCCCCC([2H])([2H])C([2H])([2H])C([2H])([2H])[2H])=O)COC(CCCCCCCCCCCCCC)=O 430 True True True False False null null 84.5 100 64 59.9 87.5 617.85 IS 1 709.55292:51479 710.55627:25617 711.55963:4565 61.98725:49 112.97941:18 121.99869:12 140.01418:39 155.03006:47 196.03839:52 241.19197:67 241.21613:612 242.2289:13 287.28122:45 288.29135:2029 288.35986:18 288.42087:11 288.51831:26 288.64749:19 288.72375:7 288.92346:16 289.15842:15 289.28772:30 289.45816:15 306.54007:5 420.24744:19 438.26239:68 485.34003:45 539.18103:8 575.5351:32 576.53613:41 589.48724:67 589.55444:70 590.55426:38 591.55286:40 592.5282:17 600.15625:19 705.01733:5 705.08154:25 705.21002:5 705.6322:6 705.67908:20 707.16614:9 708.03912:8 708.34265:28 708.72888:55 708.81348:25 709.27087:8 709.33655:66 709.55255:30033 709.81543:43 709.87952:29 709.91309:18 709.95709:54 710.04816:75 295170 304739 350575 0 0 448308 654526 217789 216481 211797 206886 207748 215614 218835 0 289827 310114 225132 273527 307027 176063 340057 296933 329359 0 551417.09375 275024.479166667 252205.713541667 322116.15625 316827.895833333 213592.787946429 0 145817.836843511 44382.362456246 68035.3383503734 22455.8884597253 29615.0453713316 4828.33537191575 681 7.896 710.63055 Cer 41:1;3O|Cer 19:1;3O/22:0 [M+CH3COO]- ion correlated with 1245; adduct linked to 648_[M+FA-H]- 0.542 True 12.49 710.63037 C41H81NO4 Cer_NP BTARNCZFTSWHSW-UHFFFAOYSA-N O=C(NC(CO)C(O)C(O)CCCC=CCCCCCCCCCC)CCCCCCCCCCCCCCCCCCCCC 410 True True True False False null null 100 99.9 73.1 41.6 100 268.12 B. room temp 2 710.62433:34471 711.62768:19202 712.63104:3762 59.01432:87 102.05638:34 118.04093:21 241.24757:5 248.57468:78 267.19406:58 267.23404:195 280.26196:40 284.25598:38 297.24109:21 316.28644:52 333.32004:34 350.341:127 351.32367:226 351.51105:11 351.66653:17 352.33429:20 364.35907:18 382.3353:10 392.34558:33 394.36957:247 394.88885:5 406.26523:21 406.36868:206 419.43594:6 424.38675:13 505.3956:16 512.20496:13 513.85315:7 602.58087:13 614.57727:63 618.58136:56 632.6026:27 633.26343:15 646.97687:11 647.16962:6 648.97559:22 649.69556:29 650.44098:69 650.49677:268 650.60938:18144 650.75482:58 650.8493:44 650.91864:19 650.96326:24 651.00677:28 651.03516:56 651.09119:15 651.14087:74 651.18488:22 651.27216:20 651.29028:22 651.35834:22 651.39069:18 651.44025:13 651.47644:32 651.61005:321 651.70715:6 651.81549:17 651.90942:14 651.99622:19 652.04578:19 652.09338:16 652.17224:24 652.33167:21 652.41107:10 652.46405:22 652.70227:5 652.82605:10 652.87012:14 652.90851:5 653.07324:33 653.72681:12 654.59271:8 654.83856:12 710.63281:49 9743 9968 12931 0 0 0 0 79531 78954 75127 76660 70398 78557 73057 0 275169 273037 201530 223411 181166 148708 15980 11531 14041 0 0 249911.921875 184428.552083333 13850.7392578125 10880.5481770833 76040.7544642857 0 0 41913.4898028238 37457.7951194315 2230.45744348186 1779.03929176392 3390.15942366793 682 7.726 710.63055 w/o MS2:Cer 12:0;2O/29:1;(2OH) [M-H]- adduct linked to 789_[M+FA-H]- 0.667 True 12.57 710.63037 C41H81NO4 Cer_ADS BTZWDXQUICFDFD-UHFFFAOYSA-N O=C(NC(CO)C(O)CCCCCCCCC)C(O)CCCCCCCCCCCCCCCC=CCCCCCCCCCC 530 True True False False False null null 100 99.9 null null null 461.66 B. cold 1 710.63055:61934 711.6339:43276 712.63726:12363 59.90457:21 61.9895:46 70.02718:28 75.00787:208 100.04148:60 102.05593:19 118.0495:85 130.02492:14 130.05038:181 267.23239:69 274.00824:36 280.33591:11 283.25937:23 288.29053:31 308.25989:37 316.27704:10 321.8927:48 326.26688:26 336.50708:19 339.32733:21 342.26163:17 356.23215:37 366.26349:20 374.09048:11 374.28976:1590 374.36926:6 374.50281:15 374.64325:29 374.89615:18 375.0647:15 375.29214:79 386.76511:9 411.33698:49 418.33813:54 425.75616:5 504.96619:35 561.46063:5 611.75458:8 664.54736:46 665.58203:38 666.61548:19 705.93793:12 706.31897:29 706.5368:8 706.69556:22 706.78284:9 707.07886:9 707.60522:30 708.01752:13 708.43512:7 708.7179:34 708.80658:5 709.2699:23 709.61041:14 709.94031:22 710.01556:23 710.04919:22 710.27338:69 710.34796:37 710.41113:124 710.62933:46295 711.02502:64 711.06104:69 711.10425:40 18515 20481 25000 0 0 0 0 88860 85603 91427 78218 77187 74251 78146 0 242582 240397 157737 418116 416508 306606 43560 30930 33838 0 0 213571.859375 380409.90625 36109.4446614583 21331.869140625 81955.9732142857 0 0 48366.9399142857 63920.8150236226 6614.29744039715 3325.23528417433 6598.87244068415 683 8.124 710.6311 w/o MS2:Cer 17:0;3O/24:1 [M-H2O-H]- adduct linked to 722_[M+CH3COO]-; adduct linked to 584_[M-H]- 0.792 True 12.5 710.63037 C41H81NO4 Cer_NP HDGCKNIWCNFSKT-UHFFFAOYSA-N O=C(NC(CO)C(O)C(O)CCCCCCCCCCCCC)CCCCCCCCCCCC=CCCCCCCCCCC 530 True True False False False null null 78.4 99.9 null null null 1427.19 B. room temp 1 710.6311:155817 711.63445:84609 712.63781:19501 41.99904:35 44.99789:2793 45.031:7 45.05332:19 45.09047:6 45.13921:13 45.21819:12 45.32745:21 45.46947:10 114.85436:32 188.71129:9 253.2196:40 255.23248:167 267.23306:786 267.57812:24 277.25015:45 279.2265:62 281.25186:33 284.25259:35 297.24103:45 316.28445:41 318.83981:32 347.32526:67 364.31729:41 364.35699:200 365.27933:42 365.34119:1050 365.50443:15 365.94547:14 366.353:10 390.32156:6 390.35214:45 390.37378:76 391.37494:29 402.37756:25 404.17072:15 406.32217:26 406.36609:181 408.38257:1079 408.90195:12 409.38474:36 409.55203:8 420.26431:9 420.34146:82 420.38412:1084 420.46268:11 421.33414:6 421.37021:15 422.39935:23 571.58173:11 598.57312:26 608.90778:25 609.29724:21 610.59082:23 614.58765:24 628.6051:271 629.03162:12 630.48901:32 632.15936:18 632.41626:19 632.53925:68 632.59753:270 646.55475:13 646.61688:139 650.61017:48 660.27264:16 660.35223:12 660.40808:18 660.44934:12 660.50256:8 660.59778:11 660.64319:40 660.68658:9 660.72461:27 660.84003:36 660.99005:18 661.07104:5 661.11548:18 661.29321:7 661.37292:23 661.43579:19 661.71979:8 662.00427:17 662.64453:28 663.36523:13 663.64111:14 663.66785:21 663.78357:15 663.9527:55 664.01508:16 664.0863:33 664.2522:47 664.29114:33 664.34863:29 664.62549:82905 665.22461:143 665.35236:68 665.42578:96 665.52075:147 665.62604:1405 665.72833:53 665.7735:15 665.80347:40 665.87665:95 665.91077:66 665.98749:66 666.04803:83 666.12708:48 666.16345:36 666.22205:29 666.25769:30 666.36719:47 666.43787:46 666.47046:36 666.52838:17 666.55835:10 666.59082:26 666.65326:33 666.69788:10 666.76025:11 666.85962:27 666.95959:13 667.08002:18 667.14404:30 667.26904:36 667.40289:23 667.4635:13 667.55469:14 667.5993:27 667.62622:20 667.7243:15 667.87616:19 667.93835:6 668.0907:21 668.23804:16 668.57288:30 668.64423:12 668.75153:12 668.93652:10 669.53815:31 669.74353:6 669.82428:7 670.11859:8 670.59357:7 671.32404:17 671.37976:5 674.25836:17 683.78473:18 685.91876:18 687.84778:10 706.65234:11 710.55237:43 710.62915:246 710.79187:9 66860 77922 99186 0 0 0 0 616769 602176 588447 555148 553708 535527 549544 283 1402569 1329616 1189433 1157273 1002137 890163 88804 69518 79420 94.3666280110677 0 1307206.16666667 1016524.375 79247.4244791667 81322.5989583333 571617.125 163.447794254122 0 108320.604389984 134134.739583367 9644.0929535582 16428.7781383306 30652.5921432472 684 8.76 710.66779 Cer 44:0;4O|Cer 18:0;3O/26:0;(2OH) [M-H]- adduct linked to 824_[M+Hac-H]-; similar chromatogram in higher mz_830; similar chromatogram in higher mz_988; adduct linked to 790_[M+FA-H]-; found in higher mz's MsMs_824 0.792 True 13.29 710.66681 C44H89NO5 Cer_AP XNLFLZXNXQVPII-UHFFFAOYSA-N O=C(NC(CO)C(O)C(O)CCCCCCCCCCCCCC)C(O)CCCCCCCCCCCCCCCCCCCCCCCC 410 True True True False False null null 100 99.9 100 76.3 100 731.66 QC-4 710.66681:39363 711.67016:23620 712.67352:5252 55.01807:24 58.00502:41 59.00937:38 78.2069:14 88.04123:42 88.05102:11 225.22346:53 255.23157:65 267.20294:8 267.23557:34 268.26147:39 284.25854:35 333.3074:33 365.37766:132 365.58929:22 391.29053:18 393.37119:37 411.38361:108 411.57037:10 436.40994:37 454.39233:55 454.42783:152 466.42957:84 466.48523:5 583.82861:19 650.63544:58 651.0321:34 664.62842:44 674.65063:43 705.73364:8 706.28229:12 706.50781:14 706.70703:8 707.13654:12 707.45123:13 708.60748:38 708.68109:10 710.3949:19 710.46912:192 710.66675:23610 710.84534:44 710.90247:61 711.00244:63 711.05896:72 711.1051:53 405212 348388 369527 9515 568 642 0 306701 336472 352738 299426 313767 259098 287499 565 203935 152310 177541 140348 218830 146972 315629 230737 332335 3549.58174641927 320.768890380859 177928.59375 168716.614583333 292900.432291667 374375.677083333 307957.229910714 5166.41628363055 453.63571516398 25814.32517747 43525.8645920439 54478.9755037444 28720.9414558555 30909.1579528999 685 4.53 711.42163 w/o MS2:PG 6:0_26:5 [M-H]- 0.042 False 7.69 711.42432 C38H65O10P PG NYDBDOBTTITZHY-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCCCCC=CCC=CCC=CCC=CCC=CCC)COP(=O)(O)OCC(O)CO)CCCCC 530 True True False False False null null 96.5 100 null null null 76.64 B. cold 3 711.42163:3832 712.42498:2359 713.42834:676 6295 4370 5094 0 0 0 0 20063 20686 20245 17678 19698 20034 19878 0 21493 15692 20600 14388 19510 27191 5752 7200 4995 0 0 19261.3492838542 20362.802734375 5982.60091145833 5253.06966145833 19754.6495535714 0 0 3123.39650050515 6444.19929288419 1120.1635306201 972.017554006445 966.973137305788 686 7.652 712.60992 w/o MS2:Cer 12:1;3O/28:0;(2OH) [M+FA-H]- ion correlated with 717; adduct linked to 587_[M-H]- 0.667 True 11.81 712.60968 C40H79NO5 Cer_AP IVBPCSWPBRVBNJ-UHFFFAOYSA-N O=C(NC(CO)C(O)C(O)CCCC=CCCC)C(O)CCCCCCCCCCCCCCCCCCCCCCCCCC 530 True True False False False null null 100 99.9 null null null 327.68 B. room temp 2 712.60992:33131 713.61327:17618 714.61663:3087 59.0149:58 103.03606:40 115.49217:53 201.47536:38 226.21278:9 255.23225:17 267.23175:50 311.29025:46 316.28415:70 367.31891:82 367.62177:34 391.28516:20 392.29056:24 410.3656:100 422.37076:13 617.68744:10 641.58234:30 648.56818:50 655.65381:7 662.13763:17 662.9469:10 664.00604:18 665.74359:8 665.87726:30 666.39349:22 666.47656:243 666.60352:21635 666.7373:135 666.80353:50 666.82416:53 666.86121:45 666.90448:51 666.95856:59 667.06152:115 667.11719:31 667.15289:21 667.19781:48 667.2453:49 667.33588:28 667.38568:57 667.41742:47 667.46777:29 667.51929:42 667.55603:61 667.60645:513 667.67065:56 667.76581:13 667.80945:40 667.88428:61 667.96729:8 668.02783:6 668.10431:29 668.26904:13 668.32263:28 668.42969:16 668.5636:6 668.60852:19 668.66211:20 668.70679:8 668.77826:22 668.82294:20 668.88617:12 669.70795:28 673.31647:25 694.52472:15 694.58844:15 695.46405:14 702.50873:8 712.02026:28 712.32648:8 712.60706:845 712.65491:50 712.80225:16 713.08752:49 43918 48819 54210 0 0 0 0 92662 89628 85633 82863 78184 76004 73613 0 205795 234993 167067 170311 154572 121169 71737 57644 64506 0 0 202618.53125 148683.989583333 64629.2864583333 48982.6927083333 82655.4386160714 0 0 34074.1496808776 25094.2403216823 7047.27329600099 5147.78936879884 7114.08293618777 687 8.2 712.64575 w/o MS2:Cer 12:0;2O/29:0;(2OH) [M-H]- 0.375 False 13.04 712.64612 C41H83NO4 Cer_ADS JMULCTVNPSKJKR-UHFFFAOYSA-N O=C(NC(CO)C(O)CCCCCCCCC)C(O)CCCCCCCCCCCCCCCCCCCCCCCCCCC 530 True True False False False null null 99.9 99.9 null null null 247.99 P. room temp 1 712.64575:15488 713.6491:8288 714.65246:0 92705 93746 92184 4976 0 0 0 107901 113005 105784 106963 94683 95255 90873 0 159155 152883 126152 145827 118493 76742 112041 77014 103389 1658.59309895833 0 146063.333333333 113687.1484375 97481.5494791667 92878.3515625 102066.158482143 2872.76751647895 0 17526.2582727545 34792.2984928029 18245.2383631138 795.491165313479 8343.49556750572 688 8.373 712.64606 w/o MS2:Cer 12:0;2O/29:0;(2OH) [M-H]- 0.708 False 13.04 712.64612 C41H83NO4 Cer_ADS JMULCTVNPSKJKR-UHFFFAOYSA-N O=C(NC(CO)C(O)CCCCCCCCC)C(O)CCCCCCCCCCCCCCCCCCCCCCCCCCC 530 True True False False False null null 100 99.9 null null null 161.92 QC-3 712.64606:15632 713.64941:7868 714.65277:1899 84707 90516 92680 0 0 0 0 107085 107298 110629 102764 113029 95335 102792 0 78678 63111 106703 74973 69074 62166 97596 90666 113278 0 0 82830.80859375 68737.7252604167 100513.380208333 89301.1588541667 105561.660714286 0 0 22090.6745027124 6410.14583953338 11584.7595054517 4123.21206250936 5871.37421411267 689 8.584 712.64716 w/o MS2:Cer 17:0;3O/24:0 [M+FA-H]- adduct linked to 719_[M+CH3COO]-; similar chromatogram in higher mz_1073; similar chromatogram in higher mz_882 0.792 True 13.11 712.64612 C41H83NO4 Cer_NP VJDVRKHHDYZLDG-UHFFFAOYSA-N O=C(NC(CO)C(O)C(O)CCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCCCCCCC 530 True True False False False null null 71.8 99.9 null null null 1174.33 QC-3 712.64716:85638 713.65051:49206 714.65387:10875 44.99802:1409 45.02323:6 45.76087:7 68.99815:24 72.04796:35 117.93012:12 122.36488:48 199.97256:7 225.22324:30 237.2231:10 255.23241:89 267.18271:54 267.23334:590 267.31747:7 270.92432:52 280.26193:48 284.26266:46 297.24698:26 316.22913:21 316.25916:24 317.28702:41 322.14948:16 348.3631:23 366.32556:7 366.37094:74 367.26694:59 367.33105:94 367.35794:428 368.11905:11 368.39755:12 372.92795:23 392.38217:51 408.29446:11 408.38187:156 409.92291:7 410.35678:64 410.39905:497 410.51505:32 411.39343:12 411.43524:8 412.49762:6 422.34973:34 422.39896:900 422.49182:12 422.60004:15 423.40137:37 445.7807:48 534.33936:21 555.92688:25 558.6391:14 559.52979:13 618.61566:17 630.48981:10 630.56396:17 630.62012:98 630.70123:27 630.87109:12 631.59167:16 634.61292:145 636.63843:36 648.62933:161 649.1759:5 652.51221:13 652.63129:34 661.88855:13 662.29797:6 662.36914:10 662.59033:13 662.74146:5 662.78937:8 663.03522:10 663.13416:36 663.16974:25 663.33881:7 663.49939:30 664.0777:15 664.24884:6 665.20013:10 665.37842:29 665.96637:16 666.26111:34 666.37708:34 666.47144:286 666.64087:49504 667.02789:100 667.08551:47 667.1275:58 667.17932:60 667.22437:109 667.27942:36 667.31482:83 667.3924:36 667.49323:30 667.54108:88 667.64343:1384 667.75696:42 667.85376:26 667.94788:43 668.01562:25 668.13367:38 668.16028:30 668.28723:46 668.33203:28 668.37134:27 668.44806:40 668.55524:5 668.59442:31 668.64874:44 668.70697:22 668.76385:16 668.81439:10 668.89581:23 668.94714:31 668.97528:34 669.06537:16 669.11829:13 669.2345:12 669.35962:12 669.47583:21 669.67212:31 669.82458:66 669.91968:9 670.03027:7 670.36127:26 670.43524:24 670.96313:7 675.15625:10 701.10803:12 707.39764:28 712.45142:43 712.58051:41 712.6441:291 329917 270449 279252 1865 260 267 251 629043 660099 667926 572366 593523 479979 505889 790 494376 401090 684410 384315 536803 424146 277766 270382 328050 971.468302408854 259.161231994629 526625.364583333 448421.25 292065.854166667 293205.895833333 586975.129464286 817.694722025726 11.7368655554324 144386.722866925 79089.2013190496 31380.9294051404 32095.9361970875 72971.7108893572 690 2.186 713.36646 w/o MS2:PG 8:0_22:6;2O [M-H]- similar chromatogram in higher mz_742 0.083 True 6.24 713.36713 C36H59O12P OxPG IRKGQBJBMRUEFY-UHFFFAOYSA-N O=C(OCC(OC(=O)CCC=CCC=CCC=CC=CC(O)CC=CCC=CC(O)C)COP(=O)(O)OCC(O)CO)CCCCCCC 530 True True False False False null null 99.9 99.9 null null null 98.52 P. room temp 2 713.36646:5774 714.36981:2581 715.37317:2250 34.96883:10 43.02162:17 61.98971:37 156.98889:47 157.04591:11 189.0903:13 207.09978:52 251.20059:44 277.21457:43 278.21582:16 397.13525:28 434.27979:15 491.31555:37 631.20612:65 653.36975:15 677.38269:269 677.89362:13 678.22668:11 678.44257:25 713.1015:8 713.19592:37 713.2757:83 713.31708:217 713.36462:3031 713.45459:17 713.59222:42 713.73157:10 713.78998:21 713.82233:18 12827 12744 16774 0 0 0 0 8393 9320 9634 10757 8953 9942 7076 0 0 0 0 0 0 0 21209 42994 31599 0 0 0 0 31933.7786458333 14115.220703125 9153.50739397321 0 0 0 0 10896.0713813465 2302.83303463886 1182.34855517385 691 7.642 713.61102 w/o MS2:SE 24:1;O4/22:0 [M-H]- 0.083 False 13.25 713.60889 C46H82O5 DCAE ALZKITUVCAINJY-UHFFFAOYSA-N O=C(O)CCC(C)C1CCC2C3CCC4CC(OC(=O)CCCCCCCCCCCCCCCCCCCCC)CCC4(C)C3CC(O)C12C 530 True True False False False null null 97.7 99.8 null null null 66.83 P. room temp 3 713.61102:3444 714.61437:1155 715.61773:276 18305 19986 22809 0 0 0 0 39650 33616 33859 32245 24418 31334 32105 0 86921 96304 64240 84661 75350 62810 29025 24191 25655 0 0 82488.7135416667 74273.7265625 26290.1634114583 20366.6197916667 32461.0544084821 0 0 16485.1312027848 10965.5984032616 2478.8679949266 2276.05747881862 4492.46039405428 692 6.363 714.50732 PE 34:2|PE 16:0_18:2 [M-H]- ion correlated with 872 0.5 True 9.2 714.50787 C39H74NO8P PE HBZNVZIRJWODIB-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCCC=CCC=CCCCCC)COP(=O)(O)OCCN)CCCCCCCCCCCCCCC 410 True True True False False null null 100 100 61.8 59.5 100 117.6 P. room temp 3 714.50769:8851 715.51104:5323 716.5144:921 61.98721:54 169.08986:24 201.07805:38 255.1918:23 255.23459:174 279.20856:44 279.23236:317 279.26059:33 279.62549:14 452.27484:31 476.27713:29 596.47125:13 668.19684:8 701.25488:14 703.77063:10 714.0144:20 714.35693:85 714.50824:6798 714.63385:45 714.67615:50 714.73828:40 714.78851:41 714.841:16 714.87799:29 714.91492:26 714.96576:14 50092 50964 65008 0 0 0 0 26266 24108 22791 22607 24902 22831 21369 0 10200 11389 7317 21166 21414 19596 58285 58789 59827 0 0 9635.25016276042 20725.4544270833 58967.0416666667 55354.6979166667 23553.5306919643 0 0 2093.99743619306 986.069891408897 786.092729658783 8371.25261883918 1645.91095593439 693 8.331 714.61725 Unknown [M-H2O-H]- ion correlated with 984; ion correlated with 1048; adduct linked to 860_[M+Hac-H]- 0.25 False null null null null null null 999 False False False False False null null null null null null null 155.15 B. cold 1 714.61725:9121 715.6206:5640 716.62396:3953 2698 1547 1493 0 0 0 0 16002 16357 16252 40552 38039 40195 34001 0 89512 91926 73040 95816 79001 73099 2092 2158 2288 0 0 84825.9635416667 82638.609375 2179.10815429688 1912.75061035156 28770.9940011161 0 0 10278.1722395698 11787.3323539105 99.4848531460195 680.737315475606 11947.3521575528 694 7.9 714.62512 w/o MS2:Cer 12:0;3O/28:0;(2OH) [M+Hac-H]- ion correlated with 594; ion correlated with 658; adduct linked to 572_[M-H]- 0.542 False 12.38 714.62531 C40H81NO5 Cer_AP MHLZDWWJWWLEEU-UHFFFAOYSA-N O=C(NC(CO)C(O)C(O)CCCCCCCC)C(O)CCCCCCCCCCCCCCCCCCCCCCCCCC 530 True True False False False null null 100 99.9 null null null 241.9 P. room temp 1 714.62512:21032 715.62847:12052 716.63183:0 111683 121705 129551 0 0 0 0 67182 57838 51350 45009 47705 45424 45969 0 10239 4188 6797 7989 7247 5209 148864 94745 139422 0 0 7074.85481770833 6814.98111979167 127677.005208333 120979.7890625 51496.7527901786 0 0 3035.03092067125 1439.20676340025 28908.0467811094 8956.18462680041 8268.03401202423 695 8.14 714.6261 w/o MS2:Cer 17:0;3O/23:0;(2OH) [M+FA-H]- ion correlated with 722; ion correlated with 731; adduct linked to 589_[M-H]- 0.583 True 12.53 714.62531 C40H81NO5 Cer_AP SPSSRWQGFMXQHY-UHFFFAOYSA-N O=C(NC(CO)C(O)C(O)CCCCCCCCCCCCC)C(O)CCCCCCCCCCCCCCCCCCCCC 530 True True False False False null null 75.3 99.9 null null null 642.6 P. cold 1 714.6261:50009 715.62945:29674 716.63281:5569 30.31802:10 73.99648:18 75.00889:41 89.02348:75 165.57199:38 225.20651:12 255.22325:49 267.23599:28 284.26535:34 297.24063:40 303.23343:41 308.26047:17 323.32996:99 351.32217:23 364.34219:38 369.28909:8 369.33859:165 369.39737:29 370.34494:17 371.22061:21 374.2894:26 392.60458:48 394.36609:96 408.84509:13 410.35947:38 412.37897:239 412.58453:5 413.38507:36 424.37738:240 425.37909:42 483.16614:36 602.58746:36 632.59766:38 650.60992:37 654.55585:17 654.59961:49 664.11145:11 664.40875:15 664.43231:12 664.50305:9 664.66364:20 664.93097:31 665.02893:9 665.07324:15 665.20123:17 665.25177:21 667.59821:16 667.6424:24 667.66028:28 668.02191:5 668.17072:5 668.29242:13 668.41998:30 668.49524:210 668.61969:31730 668.87146:61 668.91852:69 668.99133:64 669.05078:73 669.09271:76 669.17004:68 669.20959:80 669.24927:47 669.29456:41 669.34509:72 669.39551:64 669.46344:32 669.49738:24 669.54541:55 669.62085:583 669.75116:35 669.76971:28 669.82574:41 669.88531:23 669.90356:66 670.00616:21 670.04675:11 670.09955:39 670.14471:34 670.20282:17 670.30933:19 670.33551:22 670.40314:32 670.52161:13 670.60095:27 670.82916:9 670.91626:14 670.97681:14 671.18274:13 671.20264:8 671.41553:6 671.47821:6 671.83533:10 671.95282:7 672.17676:16 672.34235:7 672.36493:14 672.75922:22 714.61847:13 714.64868:100 390554 361485 346370 0 0 0 0 254870 238669 230597 177462 213204 156791 180445 250 40353 34429 36900 29641 30054 24700 350657 310115 386820 83.2443644205729 0 37227.5481770833 28131.8372395833 349197.1875 366136.416666667 207433.948660714 144.183468620211 0 2975.17079613581 2979.39798866549 38373.3476855575 22455.9948229121 36485.3219204303 696 9.307 715.60303 Unknown [M-H]- 0.042 False null null null null null null 999 False False False False False null null null null null null null 74.63 B. cold 2 715.60303:3731 716.60638:3152 717.60974:506 1110 1318 2212 0 0 0 0 7796 6977 6454 6953 5706 6425 6917 0 22332 22829 15724 22351 28663 22346 1965 1057 1917 0 0 20295.0576171875 24453.4244791667 1646.65254720052 1546.95088704427 6746.88239397321 0 0 3966.5920849882 3645.72199158324 510.87435748291 585.566840900529 645.107006986373 697 7.888 716.59729 w/o MS2:SL 12:0;O/29:0;O [M-H2O-H]- ion correlated with 947; similar chromatogram in higher mz_765; adduct linked to 862_[M+Hac-H]-; similar chromatogram in higher mz_947; similar chromatogram in higher mz_1051; similar chromatogram in higher mz_1110 0.792 True 12.37 716.58679 C41H83NO6S SL PWHCSLZSRXALJO-UHFFFAOYSA-N O=C(N(CC(O)CCCCCCCCC)CS(=O)(=O)O)C(O)CCCCCCCCCCCCCCCCCCCCCCCCCCC 530 True True False False False null null 61.5 99.9 null null null 404.31 B. cold 2 716.59729:31175 717.60064:14581 718.604:11607 34.96891:52 61.98749:30 324.52197:11 431.21588:14 455.9483:73 648.5929:30 656.33356:23 656.61578:29 656.66113:11 657.47156:10 680.3446:43 680.47076:9 680.51691:16 680.56873:48 680.61951:653 681.14246:6 681.25519:9 681.50775:11 681.62811:12 712.36823:13 712.40302:16 713.29791:9 714.45087:26 714.64618:6 715.40356:22 715.53296:8 716.27271:34 716.32062:36 716.40259:48 716.46063:148 716.59644:14220 716.7381:62 716.79272:42 716.83606:74 716.896:77 716.9281:86 717.01685:52 717.05768:46 83446 89102 100759 0 0 0 0 192580 193799 193528 213315 206998 206897 206870 947 311496 334196 286603 312473 326725 301756 107432 91922 102379 315.674275716146 0 310764.90625 313651.645833333 100577.520833333 91102.6510416667 201998.122767857 546.763884182871 0 23804.9447847312 12526.1184524847 7910.41345577721 8828.3100638316 8450.48257735352 698 8.79 716.63171 Unknown [M-H]- similar chromatogram in higher mz_948 0.042 False null null null null null null 999 False False False False False null null null null null null null 68.53 B. room temp 3 716.63171:3426 717.63506:2036 718.63842:1455 9126 7356 7529 0 0 0 0 18544 18941 21050 20188 20093 18439 19160 0 13833 10314 25931 14609 18068 14107 8017 7355 9485 0 0 16692.6217447917 15594.8479817708 8285.8232421875 8003.69352213542 19487.97265625 0 0 8191.6857230149 2156.93837059669 1090.40525804674 975.725706031665 974.262334757108 699 3.126 717.39807 w/o MS2:PI O-8:0_19:4 [M-H]- 0.292 False 7.1 717.39838 C36H63O12P EtherPI NWMBIBCNJQQJHX-UHFFFAOYSA-N O=C(OC(COCCCCCCCC)COP(=O)(O)OC1C(O)C(O)C(O)C(O)C1O)CCCCCC=CCC=CCC=CCC=CCC 530 True True False False False null null 100 99.9 null null null 110.36 P. room temp 2 717.39807:9887 718.40142:5147 719.40478:4217 34267 31379 37828 0 0 0 0 21273 25670 24455 22190 23724 23165 21974 0 0 960 504 1335 1105 1096 47402 80247 66347 0 0 487.989440917969 1178.54284667969 64665.1145833333 34491.4778645833 23207.3431919643 0 0 480.177580491912 135.295678292808 16487.0106973902 3230.64486272315 1537.73552347873 700 4.951 717.45044 w/o MS2:PA 10:0_28:7 [M-H]- 0.167 False 8.43 717.45007 C41H67O8P PA SOVCFORFRJLPBU-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCC=CCC=CCC=CCC=CCC=CCC=CCC=CCC)COP(=O)(O)O)CCCCCCCCC 530 True True False False False null null 99.9 99.9 null null null 103.54 B. cold 1 717.45044:11914 718.45379:5892 719.45715:0 6817 5075 2051 229 0 0 0 45016 46526 43165 37363 30709 2099 6480 0 56493 66234 119300 104579 86820 114723 11079 4561 6180 76.2333323160807 0 80675.765625 102040.661458333 7273.38297526042 4647.44449869792 30194.052280971 132.040004801734 0 33802.4513812699 14123.5730956461 3393.44750931246 2411.65124392686 18520.2569849017 701 7.898 717.60034 w/o MS2:PE-Cer 12:0;2O/26:0 [M-H]- 0.25 True 11.4 717.59161 C40H83N2O6P PE_Cer VPDHSUWRRDKIJP-UHFFFAOYSA-N O=C(NC(COP(=O)(O)OCCN)C(O)CCCCCCCCC)CCCCCCCCCCCCCCCCCCCCCCCCC 530 True True False False False null null 83.1 99.9 null null null 595.84 P. room temp 3 717.60034:32619 718.60369:17720 719.60705:3836 61.98838:5130 62.01982:26 62.02888:11 62.06337:16 62.1233:8 62.14234:6 62.25971:6 62.31137:8 62.44232:5 71.84829:30 310.37534:32 335.3298:12 377.95609:19 419.97318:36 478.46576:30 490.96469:34 625.60229:37 656.59967:15 657.56732:26 657.61438:173 657.74786:16 671.63068:26 681.5882:56 681.62207:176 682.62738:17 683.07025:21 715.68152:18 716.93927:29 717.26257:82 717.40192:51 717.46161:90 717.59888:10283 717.71472:46 717.74561:57 717.79993:41 717.85553:37 717.96643:19 717.98511:30 718.03589:20 718.07001:16 236735 242230 260709 1472 244 0 0 140932 145890 149430 154227 153599 152894 155095 265 149950 153290 133821 139804 145807 131033 248618 197888 264032 660.290420532227 0 145686.791666667 138881.21875 236846.005208333 246557.796875 150295.238839286 702.702827821607 0 10411.2089800303 7430.22315591722 34607.8643704122 12559.2601374133 5227.8671629356 702 8.377 718.61261 w/o MS2:Cer 12:2;2O/36:6 [M-H]- similar chromatogram in higher mz_986; similar chromatogram in higher mz_1116 0.792 True 12.42 718.61438 C48H81NO3 Cer_NS VXTSBDODCBUWGK-UHFFFAOYSA-N O=C(NC(CO)C(O)C=CCCC=CCCC)CCCCCCCCCCCCCCCCC=CCC=CCC=CCC=CCC=CCC=CCC 530 True True False False False null null 99.2 99.9 null null null 410.33 P. cold 1 718.61261:30373 719.61596:13682 720.61932:10797 34.96893:112 61.98649:45 356.28326:31 363.57092:72 382.38196:26 547.05286:17 650.59473:9 682.63409:656 683.02881:12 683.09656:21 683.18683:5 683.63696:32 718.02179:7 718.32739:17 718.38446:39 718.5213:353 718.61182:12567 718.70886:65 718.75574:72 718.79932:46 718.84045:61 718.88672:42 718.95959:56 719.00922:51 719.08209:53 349429 312058 323521 13019 3822 2312 1707 203344 205776 213707 198235 208250 188355 191481 5412 127178 124845 112143 104138 141265 118120 298826 313496 339300 7417.57804361979 2009.27264404297 121388.809895833 121174.296875 317207.166666667 328335.979166667 201306.613839286 4916.00506976433 428.081081525753 8091.46154292629 18750.7501633252 20491.0272229742 19145.4871379994 9127.29915158186 704 5.196 719.46515 w/o MS2:PA 10:0_28:6 [M-H]- 0.083 True 8.64 719.4657 C41H69O8P PA WZDDWLOMKIULTH-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCCCC=CCC=CCC=CCC=CCC=CCC=CCC)COP(=O)(O)O)CCCCCCCCC 530 True True False False False null null 99.9 99.9 null null null 140.3 B. room temp 2 719.46515:7102 720.4685:3389 721.47186:850 44.99774:36 62.96555:26 152.99487:79 183.1102:12 225.69028:29 227.03156:21 252.5127:20 253.19127:8 253.21761:258 255.23294:167 255.52515:30 279.23273:98 301.216:19 303.23438:75 351.32327:18 391.22397:85 391.28558:64 391.31284:16 414.21298:20 415.23615:42 433.23059:56 439.22437:115 441.24011:23 457.23392:42 466.39035:6 481.68472:28 482.87595:14 483.27112:1389 483.34064:5 483.38495:15 483.86371:6 484.18262:17 484.2438:7 484.27417:72 559.23157:9 597.44348:36 598.41492:23 669.39563:30 693.39722:26 715.14734:29 715.46155:21 715.68335:13 716.10864:10 717.51489:8 718.00549:35 718.37653:7 718.92242:15 719.12927:11 719.21893:6 719.26453:52 719.48602:24047 719.67621:79 719.76532:67 719.80334:22 719.86841:66 719.96008:42 4167 4661 5130 1930 276 0 0 12013 10924 11595 8755 8023 5316 5034 1539 70794 70425 17868 35254 28463 16640 5565 4265 4949 1248.52713012695 0 53029.0149739583 26785.58203125 4926.53727213542 4652.4609375 8808.43854631696 864.826978052529 0 30451.0015009791 9419.71734155359 650.567235757417 481.284153026888 2874.3840930174 705 5.299 719.487 PG 32:1|PG 16:0_16:1 [M-H]- 0.792 True 8.43 719.48688 C38H73O10P PG NOFOTAHTYLXZNV-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCCC=CCCCCCC)COP(=O)(O)OCC(O)CO)CCCCCCCCCCCCCCC 410 True True True False False null null 100 100 55.5 50 100 359.15 QC-6 719.48676:12595 720.49011:5552 721.49347:1323 59.01489:28 61.98723:36 152.99631:68 245.97647:8 253.21674:249 255.1561:6 255.23416:185 255.4474:14 279.17798:5 301.2095:37 385.14383:39 391.22153:57 415.22842:16 439.21664:11 457.10828:20 457.23389:23 463.25284:34 463.4838:5 482.2984:14 483.27481:352 484.27219:16 673.48578:29 715.12073:7 715.77972:6 716.21381:12 718.2785:16 719.23633:7 719.29321:65 719.48785:8250 719.61987:45 719.69971:71 719.73682:27 719.77234:45 719.87115:15 719.93127:52 719.9801:28 49358 51710 65580 0 0 0 0 95777 85370 86038 86613 84448 86178 81566 0 271938 297904 189444 321295 342684 283964 61163 56614 56257 0 0 253094.994791667 315981.020833333 58011.2213541667 55549.2747395833 86569.9587053571 0 0 56631.8332404135 29718.2888171421 2735.0533902338 8765.90273021571 4400.53273496005 706 4.964 719.4873 PG 32:1|PG 16:0_16:1 [M-H]- 0.583 True 8.43 719.48688 C38H73O10P PG NOFOTAHTYLXZNV-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCCC=CCCCCCC)COP(=O)(O)OCC(O)CO)CCCCCCCCCCCCCCC 410 True True True False False null null 100 99.9 53.6 48.2 100 144.62 B. cold 2 719.48676:13578 720.49011:7219 721.49347:1860 112.98052:11 137.88127:16 152.99716:23 227.20799:30 253.21527:212 255.23151:200 279.20441:48 356.88138:39 483.26932:19 659.20477:29 673.50293:30 719.32227:36 719.37305:83 719.42944:304 719.48621:5780 719.60791:26 719.67188:28 719.76398:14 719.92084:39 719.97644:29 19583 19737 21747 0 0 0 0 25205 23407 23769 23197 23475 25390 23708 0 79782 77645 67132 139903 90482 68799 25978 25707 27310 0 0 74853.09375 99727.9166666667 26331.8111979167 20355.5924479167 24021.6565290179 0 0 6771.08207641849 36442.8822215872 857.903596175681 1207.18872120231 893.475122339502 707 7.729 720.59137 w/o MS2:Cer 13:2;2O/34:6;(2OH) [M-H]- 0.25 False 11.9 720.59363 C47H79NO4 Cer_AS PCULPQLPLGGDPD-UHFFFAOYSA-N O=C(NC(CO)C(O)C=CCCC=CCCCC)C(O)CCCCCCCCCCCCCC=CCC=CCC=CCC=CCC=CCC=CCC 530 True True False False False null null 97.5 99.9 null null null 90.35 P. room temp 1 720.59137:5338 721.59472:3159 722.59808:2085 27112 28533 30601 0 0 0 0 13443 13762 12920 14376 17355 15801 15049 0 7590 9127 7410 8518 7049 4628 37168 30188 36414 0 0 8042.28401692708 6731.32926432292 34589.9329427083 28748.87109375 14672.3667689732 0 0 943.463440086973 1964.45713038359 3831.14446985687 1754.54064647765 1533.56632266422 708 5.752 721.48065 w/o MS2:PA 16:0_22:5 [M-H]- 0.083 True 8.67 721.48138 C41H71O8P PA CDWAHLKJWVUEPL-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCC=CCC=CCC=CCC=CCC=CCC)COP(=O)(O)O)CCCCCCCCCCCCCCC 530 True True False False False null null 75.9 100 null null null 45.33 B. room temp 2 721.48065:7418 722.484:2780 723.48736:864 152.96774:48 152.99728:294 153.40826:14 159.25349:36 208.97453:28 243.1619:32 255.23251:3097 255.32617:10 255.64651:7 255.67671:7 255.86755:15 255.88414:15 256.23801:43 256.76215:9 262.15149:35 277.21582:38 278.21777:28 281.24609:33 282.24371:49 305.24121:21 312.07675:45 318.60544:11 347.04211:51 349.1759:30 364.48163:27 391.18274:46 391.22372:128 394.02103:37 410.26562:14 413.2175:21 417.23801:6 440.07007:15 440.22412:26 445.34052:30 461.26331:38 465.26266:113 465.66653:19 483.27072:79 538.4198:20 549.43793:30 573.44879:11 593.58929:13 616.89777:16 647.44684:15 658.45288:16 664.41412:22 698.11334:7 701.57281:45 701.98853:22 716.47974:5 716.67236:13 716.9314:15 717.0838:7 717.14423:41 717.22754:10 717.28546:29 717.38281:12 717.47742:13 717.52264:8 717.69952:12 717.92175:34 718.28284:6 718.42175:12 718.68573:6 718.92206:35 719.45947:12 720.07129:19 720.37732:26 720.55353:10 720.97107:56 721.04095:41 721.1012:9 721.138:19 721.19312:47 721.21515:54 721.50232:76689 7985 8479 11179 2862 0 0 0 32077 29994 27231 15633 20372 10791 3514 8 152466 163932 36314 111724 99042 38821 16792 3839 5717 956.419042269389 0 117570.69921875 83195.7200520833 8782.74674479167 9214.49381510417 19944.6565638951 1649.90479529335 0 70603.1406999336 38948.9014325986 6999.52634168094 1719.1980661063 10597.3118137229 709 5.504 721.50415 PG 32:0|PG 16:0_16:0 [M-H]- adduct linked to 1255_[2M-H]-; similar chromatogram in higher mz_998 0.792 True 8.78 721.5025 C38H75O10P PG BIABMEZBCHDPBV-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCCCCCCCCCC)COP(=O)(O)OCC(O)CO)CCCCCCCCCCCCCCC 410 True True True False False null null 100 99.9 67.9 60.9 100 1930.9 B. room temp 2 721.5033:104517 722.50665:57112 723.51001:13998 152.96774:48 152.99728:294 153.40826:14 159.25349:36 208.97453:28 243.1619:32 255.23251:3097 255.32617:10 255.64651:7 255.67671:7 255.86755:15 255.88414:15 256.23801:43 256.76215:9 262.15149:35 277.21582:38 278.21777:28 281.24609:33 282.24371:49 305.24121:21 312.07675:45 318.60544:11 347.04211:51 349.1759:30 364.48163:27 391.18274:46 391.22372:128 394.02103:37 410.26562:14 413.2175:21 417.23801:6 440.07007:15 440.22412:26 445.34052:30 461.26331:38 465.26266:113 465.66653:19 483.27072:79 538.4198:20 549.43793:30 573.44879:11 593.58929:13 616.89777:16 647.44684:15 658.45288:16 664.41412:22 698.11334:7 701.57281:45 701.98853:22 716.47974:5 716.67236:13 716.9314:15 717.0838:7 717.14423:41 717.22754:10 717.28546:29 717.38281:12 717.47742:13 717.52264:8 717.69952:12 717.92175:34 718.28284:6 718.42175:12 718.68573:6 718.92206:35 719.45947:12 720.07129:19 720.37732:26 720.55353:10 720.97107:56 721.04095:41 721.1012:9 721.138:19 721.19312:47 721.21515:54 721.50232:76689 792085 891866 1073513 455 0 0 0 598725 584840 577339 564722 559482 572394 566425 0 812220 756205 572080 962134 961606 760194 1462637 1176584 1345841 151.515421549479 0 713501.75 894644.8125 1328353.70833333 919154.479166667 574846.705357143 262.432408253914 0 125636.408285928 116437.685102527 143826.115875882 142684.57085797 13489.4669783615 710 6.83 721.57715 w/o MS2:NAGlySer 9:0;O(FA 28:1) [M-H]- similar chromatogram in higher mz_713; similar chromatogram in higher mz_1042 0.25 False 10.2 721.57361 C42H78N2O7 NAGlySer UFDMUCROPBHJDY-UHFFFAOYSA-N O=C(OC(CCCC(=O)NCC(=O)NC(C(=O)O)CO)CCCC)CCCCCCCCCCCCCCCC=CCCCCCCCCCC 530 True True False False False null null 93.9 99.9 null null null 99.57 P. room temp 2 721.57715:5627 722.5805:3433 723.58386:0 46687 42995 45208 0 0 0 0 21741 20660 20543 20358 19864 19394 20212 0 2962 1725 2085 2614 2388 2830 46642 49654 33272 0 0 2257.14078776042 2610.52962239583 43188.9830729167 44963.2981770833 20396.1342075893 0 0 636.14123045809 221.027483355395 8719.72291242323 1857.93769479153 732.779278955545 711 7.731 722.62781 w/o MS2:Cer 12:0;2O/30:2;(2OH) [M-H]- similar chromatogram in higher mz_774; similar chromatogram in higher mz_828; similar chromatogram in higher mz_987 0.042 False 12.43 722.63037 C42H81NO4 Cer_ADS GUJSSRIHSLJUGU-UHFFFAOYSA-N O=C(NC(CO)C(O)CCCCCCCCC)C(O)CCCCCCCCCCCCCCCCC=CCC=CCCCCCCC 530 True True False False False null null 96.8 99.9 null null null 63.2 B. room temp 1 722.62781:3160 723.63116:1842 724.63452:508 0 0 247 0 0 0 0 4872 4525 4715 4274 3826 3623 4061 0 23306 19853 14161 13122 11782 9288 0 0 0 0 0 19106.7734375 11397.2421875 0 82.459218343099 4270.91535295759 0 0 4617.5998692174 1945.81764046105 0 142.823555722663 462.79999002619 712 2.159 723.39557 Unknown [M-H]- 0.083 False null null null null null null 999 False False False False False null null null null null null null 34.37 P. cold 3 723.39557:3173 724.39892:1384 725.40228:805 21740 20603 26413 0 0 0 0 4479 4494 4122 4405 3646 2848 3633 0 0 0 0 0 0 0 25152 24940 26981 0 0 0 0 25691.0631510417 22918.5904947917 3946.73796735491 0 0 0 0 1122.19935484853 3078.94505333963 608.425740736146 713 6.826 723.52148 Unknown [M+Hac-H]- ion correlated with 1113; adduct linked to 679_[M+FA-H]-; similar chromatogram in higher mz_928; similar chromatogram in higher mz_1042 0.792 True null null null null null null 999 True False False False True null null null null null null null 938.59 B. room temp 2 723.52148:165394 724.52483:108383 725.52819:26194 34.90947:13 58.56755:5 58.88634:19 58.92151:14 58.98007:57 59.01376:62281 59.15893:36 59.16905:44 59.18466:35 59.193:20 59.22263:75 59.2373:42 59.24555:41 59.2803:21 59.29315:20 59.32396:61 59.34766:41 59.36263:50 59.38392:37 59.41318:23 59.44252:17 59.45955:23 59.49941:12 59.56247:26 59.5758:32 59.59244:6 59.61043:11 59.65343:23 59.7119:8 59.78134:5 59.82135:22 59.91768:20 59.99405:12 60.01696:108 60.52637:11 60.92489:6 60.96807:10 61.56013:24 65.30549:6 67.39387:10 78.96001:21 137.58577:56 285.22025:53 294.48642:52 303.20581:45 303.23141:153 307.26419:33 411.31741:34 572.48419:39 587.41241:23 663.55518:16 673.4809:33 699.46301:18 723.2901:10 723.34576:49 723.38965:92 723.44684:149 723.51306:1972 723.57343:111 723.65308:30 723.9425:10 63210 65135 71862 0 0 0 0 505545 487211 470622 448907 445441 457901 444154 0 1071308 1228660 929869 633921 761654 680750 80759 79836 80152 0 0 1076612.16666667 692108.5 80248.6328125 66735.5572916667 465682.799107143 0 0 149465.735206755 64619.5800928101 469.251209450547 4542.65061100279 23423.8735955992 714 8.332 724.64691 w/o MS2:Cer 17:0;3O/25:1 [M-H]- ion correlated with 677 0.333 True 12.89 724.64612 C42H83NO4 Cer_NP OQDDQWAAQDPVMF-UHFFFAOYSA-N O=C(NC(CO)C(O)C(O)CCCCCCCCCCCCC)CCCCCCCCCCCCC=CCCCCCCCCCC 530 True True False False False null null 79.6 99.9 null null null 1168.94 B. cold 1 724.64691:115951 725.65026:63392 726.65362:14471 41.99893:85 42.03478:32 44.99775:1757 46.48386:40 59.01742:9 101.02254:19 255.23189:105 267.21118:53 267.2323:746 284.26205:38 297.25211:59 297.2804:13 298.24786:48 316.28979:17 323.35229:17 358.87741:11 378.37338:128 378.48624:17 379.039:54 379.06552:22 379.2998:44 379.35544:591 380.51886:18 386.36121:23 393.37177:25 404.38806:59 408.38312:70 417.32874:38 420.34625:38 420.38187:237 421.19183:25 422.39819:698 423.00211:6 423.40805:16 423.44995:7 434.30417:30 434.3403:49 434.39932:718 434.49829:6 434.65826:38 434.90118:9 434.97516:8 435.36652:17 450.40219:29 457.83929:24 489.83401:25 554.2984:10 598.59064:21 628.61469:15 631.61792:20 642.61615:135 646.56549:28 646.61371:165 646.9574:8 648.63666:20 660.55853:25 660.62665:224 660.74084:16 660.8208:9 661.48651:12 664.04913:26 664.3222:10 664.45898:18 664.56256:139 664.62372:2718 664.73492:25 664.78839:11 664.85968:34 664.90424:21 664.97064:23 665.0379:22 665.11523:11 665.18872:23 665.21619:12 665.32648:21 665.43445:6 665.51874:13 665.62512:47 665.95154:5 666.15668:12 666.20575:9 666.43542:8 670.15771:6 674.48114:28 674.55292:15 674.6427:19 674.75934:32 674.85748:15 675.07355:6 675.289:10 675.45068:24 675.58539:11 675.80096:12 676.57373:13 677.49976:35 677.73364:17 677.86859:17 677.94055:18 678.19299:33 678.28241:5 678.39948:67 678.44342:142 678.50452:384 678.6413:53210 679.04138:104 679.11163:56 679.14496:54 679.18842:49 679.23804:23 679.32874:45 679.36926:35 679.41107:30 679.44763:32 679.50385:62 679.60162:102 679.64252:804 679.77313:32 679.84857:21 679.95245:35 680.04449:42 680.09253:51 680.14264:28 680.23657:32 680.3374:15 680.38995:24 680.44427:31 680.48907:23 680.59705:13 680.63782:27 680.72345:31 680.74158:15 680.86774:37 680.90985:24 680.94464:13 681.13824:20 681.2735:38 681.60406:16 681.64331:31 681.70581:16 681.90045:17 681.97717:20 682.29303:7 682.54578:14 683.05139:6 683.16882:23 683.23199:17 683.29602:11 685.79633:5 686.34259:5 698.70953:12 724.50153:17 724.56433:49 724.59283:62 724.64227:180 8335 9553 10941 0 0 0 0 484542 431135 414080 390993 415876 409970 405803 0 1163115 977316 826013 965476 868376 724413 10356 8657 8218 0 0 988814.354166667 852755.270833333 9076.7998046875 9609.44921875 421771.321428571 0 0 168844.905005585 121288.414427598 1129.18965299856 1303.62221386672 30175.3128344319 715 8.123 724.64764 Cer 42:1;3O|Cer 19:1;3O/23:0 [M+CH3COO]- similar chromatogram in higher mz_1246 0.792 True 12.96 724.64612 C42H83NO4 Cer_NP ZPURRZFRPGSKIK-UHFFFAOYSA-N O=C(NC(CO)C(O)C(O)CCCC=CCCCCCCCCCC)CCCCCCCCCCCCCCCCCCCCCC 410 True True True False False null null 100 99.9 73.6 40.7 100 4149.89 B. room temp 1 724.64764:466142 725.65099:276568 726.65435:68483 41.99776:73 57.97552:54 58.02893:35 59.01318:1015 59.05263:8 70.02949:16 71.01318:56 73.03066:35 83.14978:10 94.64544:9 96.43889:16 101.45679:43 113.13608:7 123.73896:13 141.85851:56 146.06425:43 170.60146:51 182.74036:20 183.17502:44 225.22054:63 237.22299:31 253.21526:21 255.15553:64 255.18216:27 255.23233:856 256.20471:16 266.21768:47 267.16412:31 267.2327:2977 267.33148:10 267.44812:13 267.57812:31 268.2421:26 279.20099:37 279.23306:30 280.26257:149 283.2663:52 284.23251:44 284.25888:226 297.24292:120 298.40372:21 302.30219:36 306.84308:47 309.08063:42 316.28662:398 347.33322:37 347.73761:17 349.34772:106 364.0463:22 364.29004:30 364.3287:65 364.3584:747 364.55331:12 364.81149:15 365.20761:24 365.25711:39 365.34192:2973 365.41891:12 365.46805:5 365.49731:9 365.57086:12 365.59821:11 365.62994:22 365.65677:7 365.73276:8 365.76248:18 365.84488:7 365.87506:15 365.96738:13 366.11539:18 366.34824:141 366.47986:7 366.58902:17 366.93311:10 378.37286:70 378.72888:21 379.35471:38 379.37796:6 390.3089:26 390.34592:23 390.37534:313 392.67401:26 402.32556:34 402.37411:132 406.26001:27 406.29285:46 406.36804:842 406.73178:10 406.86978:11 407.12909:6 407.36618:16 408.26971:71 408.32281:97 408.38428:4632 408.49692:12 408.53168:29 408.56662:16 408.64346:16 408.70261:16 408.76218:25 408.81812:12 408.93448:12 409.01395:6 409.04871:16 409.12558:19 409.20245:28 409.24826:6 409.3855:67 409.66391:16 411.50452:10 417.88049:14 417.90875:9 418.54474:8 419.37509:8 419.91684:17 420.20767:20 420.24893:15 420.29318:84 420.38394:5588 420.47531:6 420.51938:19 420.59024:11 420.63983:24 420.68976:16 420.75323:17 420.85956:5 420.87964:5 421.17154:10 421.38947:77 421.47983:7 421.66757:6 421.71063:12 421.8374:7 422.99591:13 425.92178:5 441.05109:14 467.83154:9 485.60785:40 493.62598:9 520.28131:17 525.87347:6 555.8623:26 571.5802:19 577.92584:13 588.42303:41 598.57568:93 603.15741:35 614.56628:24 615.08813:23 616.57562:21 616.63165:10 622.88617:20 628.39972:29 628.44476:22 628.52557:54 628.60205:1101 628.69427:13 629.34424:14 629.6051:47 630.08136:24 630.50635:18 632.43408:26 632.51221:39 632.53461:22 632.59912:931 632.67737:5 633.2337:21 633.35547:19 633.45721:10 633.59961:106 634.60834:49 635.56287:16 645.02673:12 645.24615:22 646.40967:7 646.53699:67 646.61243:542 646.71283:27 646.87903:6 647.60504:30 648.6123:46 660.1474:48 660.18982:15 660.23425:12 660.31616:13 660.37823:43 660.40875:46 660.44073:44 660.53723:68 660.59711:56 660.67133:68 660.70007:49 660.81342:32 660.85785:13 660.89349:40 661.03528:31 661.08813:49 661.16864:5 661.20435:33 661.28503:24 661.37311:19 661.39392:33 661.46014:15 661.50647:22 661.53583:10 661.57916:30 661.64868:13 661.70905:32 661.74646:22 661.7998:29 661.95093:10 662.03094:20 662.11176:57 662.24377:15 662.29767:27 662.3866:30 662.43567:20 662.60895:25 662.65277:18 662.7334:5 662.85803:27 662.99146:55 663.09521:36 663.12494:13 663.17407:8 663.2406:5 663.29718:13 663.36542:17 663.42749:18 663.48981:28 663.55212:36 663.63287:19 663.67743:77 663.72736:52 663.78033:71 663.82812:34 663.87262:30 663.92413:19 663.97363:36 664.04877:53 664.10181:81 664.17303:90 664.20319:44 664.24799:83 664.30865:113 664.35883:168 664.62561:296464 665.4668:204 665.62744:6412 665.755:153 665.8717:125 665.93011:79 665.99573:106 666.0611:97 666.10596:90 666.14441:63 666.22675:115 666.28925:141 666.33087:82 666.36707:70 666.40308:89 666.47699:106 666.53302:45 666.61908:49 666.69873:39 666.77606:43 666.81683:41 666.87042:27 666.99042:53 667.03168:28 667.08502:47 667.14404:18 667.25317:40 667.349:99 667.38507:36 667.4472:38 667.49261:66 667.5993:47 667.66949:21 667.71082:32 667.8009:64 667.86737:38 667.95721:33 668.03778:26 668.09045:41 668.13513:47 668.22864:20 668.27802:36 668.37323:28 668.47455:18 668.59027:13 668.65326:41 668.724:37 668.74261:12 668.85876:6 669.00177:14 669.03766:20 669.28778:11 669.32355:15 669.41296:12 669.47552:9 669.53815:28 669.61023:19 669.73486:12 669.82428:41 669.89056:11 669.94281:24 670.02106:20 670.11761:18 670.19135:21 670.29181:13 670.37885:20 670.45044:21 670.60541:6 670.64728:15 670.83521:11 670.86206:14 670.96948:16 671.0246:5 671.09564:13 671.13898:17 671.33795:5 671.46185:32 671.51556:17 671.55139:20 671.57825:5 671.63196:23 671.83795:13 671.97229:11 672.03503:29 672.07996:5 672.44714:12 672.53448:15 672.76971:7 672.94006:19 672.99384:18 673.02966:17 673.23615:12 673.27173:10 673.37769:29 673.56763:7 673.67896:8 674.0246:10 674.54553:37 675.0661:11 675.91931:11 676.24963:14 677.0683:11 678.45142:11 679.46344:14 680.42755:12 680.60974:6 680.97748:15 681.43744:11 681.86145:20 682.24048:19 682.58319:12 683.50476:21 684.44513:27 684.50775:12 684.78625:6 685.32166:26 685.4931:24 685.52063:22 685.61115:16 686.29895:12 686.82404:20 686.89648:23 687.12292:28 687.64838:5 688.0957:9 690.38757:5 692.84113:16 692.92303:7 696.6391:33 698.16302:7 703.01038:19 706.57928:31 724.49872:35 724.64142:51 725.02338:10 223768 253891 312607 877 0 0 0 1575577 1628386 1508688 1550337 1532755 1539778 1506775 1070 4129983 4012260 3387582 3534909 3133459 2740464 288024 224594 245218 649.162760416667 0 3843274.83333333 3136277.41666667 252612.119791667 263421.880208333 1548899.375 570.415111229358 0 399007.465199457 397229.997676121 32355.407910031 45179.5541095275 42362.0759767187 716 7.097 725.53558 Unknown [M-H]- 0.542 True null null null null null null 999 True False False False True null null null null null null null 126.91 B. room temp 2 725.53558:12329 726.53893:6623 727.54229:1405 58.94322:19 59.01376:5344 59.05641:13 59.07347:19 59.08391:39 59.12641:8 59.18222:22 59.20349:20 59.2221:6 59.23274:22 59.29126:11 59.52564:11 59.88585:15 665.45789:17 707.44238:12 707.52576:21 725.43707:13 725.51361:27 725.57098:42 725.6543:16 8525 7568 8686 0 0 0 0 36027 33315 32563 30328 32061 31528 31648 0 86460 100063 78348 45095 65927 54679 8676 8188 8058 0 0 88290.515625 55233.6666666667 8307.30550130208 8259.92838541667 32495.62890625 0 0 10972.4415920035 10427.0670701643 325.960994475089 604.634735746973 1811.3754991729 717 7.649 726.62585 Cer 41:1;4O|Cer 18:0;3O/23:1;(2OH) [M+CH3COO]- ion correlated with 662; ion correlated with 686; adduct linked to 587_[M-H]- 0.792 True 12.35 726.62531 C41H81NO5 Cer_AP NYMPMCUSPNKBJI-UHFFFAOYSA-N O=C(NC(CO)C(O)C(O)CCCCCCCCCCCCCC)C(O)CCCCCCCCCC=CCCCCCCCCCC 410 True True True False False null null 100 99.9 92.8 75.8 100 248.83 B. cold 1 726.62518:23468 727.62853:14201 728.63189:3087 57.03537:40 57.97346:28 158.97398:38 172.23964:15 255.23688:27 279.0069:44 280.255:8 283.06934:39 284.25479:31 302.22302:35 302.9924:28 321.31763:42 329.00015:15 349.31036:24 358.29883:80 367.32053:133 408.34167:19 422.36218:36 443.97141:12 458.37839:12 648.59235:28 656.98822:39 661.36188:9 662.55231:8 663.54279:8 665.10773:7 665.88391:13 666.07867:16 666.20483:23 666.31506:11 666.4021:53 666.43573:86 666.50476:335 666.60339:17399 666.72809:96 666.80011:88 666.84052:71 666.97186:57 667.05139:88 667.10516:45 667.18341:49 667.24341:35 667.27551:22 667.3288:50 667.3916:22 667.44513:38 667.5434:60 667.6059:512 667.71295:39 667.83942:36 667.92889:56 668.02112:24 668.12396:29 668.19788:16 668.23096:26 668.40961:20 668.49524:8 668.80444:46 669.9292:13 672.01465:11 673.99255:5 676.51379:8 679.24396:16 680.55145:59 680.61841:487 680.7406:8 680.96545:7 681.48004:23 681.63342:11 681.77374:6 682.01221:14 682.11688:8 685.00256:12 685.94342:15 686.99365:14 726.43231:11 726.51465:45 726.56403:60 726.61584:116 726.80664:26 727.06769:33 29400 35008 42006 0 0 0 0 88345 63055 62866 58248 53728 55720 58658 0 185955 212480 132526 164960 157879 121915 48972 39070 45376 0 0 176987.3125 148251.424479167 44472.6744791667 35471.0716145833 62945.89453125 0 0 40724.5028079933 23080.8465786674 5012.45278877888 6315.69854552812 11710.2256656532 718 7.888 726.62598 w/o MS2:Cer 21:0;3O/20:1;(2OH) [M+FA-H]- ion correlated with 750; adduct linked to 613_[M-H]- 0.792 True 12.26 726.62531 C41H81NO5 Cer_AP ILUDBQPRSZXPNA-UHFFFAOYSA-N O=C(NC(CO)C(O)C(O)CCCCCCCCCCCCCCCCC)C(O)CCCCCCCCC=CCCCCCCCC 530 True True False False False null null 75.1 99.9 null null null 1721.64 B. room temp 2 726.62598:170229 727.62933:92915 728.63269:22133 44.99768:52 45.33599:30 50.88283:23 59.01221:37 70.02989:11 72.04476:69 75.01035:40 88.0383:8 118.48196:46 152.7412:25 212.11313:17 240.91461:8 250.24413:42 255.18411:21 255.23203:343 267.23331:99 268.24472:12 279.23157:69 280.26086:23 284.20319:34 284.25592:36 297.24069:21 298.27219:30 308.21201:24 308.25543:102 314.27786:8 316.28415:42 335.23526:66 335.33002:204 335.52637:33 335.86508:7 344.27295:28 351.33911:33 362.25497:13 362.34628:33 363.33435:29 363.64398:11 365.33939:32 379.31891:15 379.49557:14 379.71402:6 380.35248:195 381.24106:17 381.33591:1332 381.63583:8 381.97003:9 382.02405:12 382.07809:9 382.12537:28 382.34155:40 383.146:15 388.35812:58 406.35825:28 422.36343:56 424.37796:435 424.51077:6 436.33975:61 436.3764:506 436.86026:12 437.05237:8 445.26962:16 607.50977:14 614.58215:39 638.65125:21 644.59613:73 648.58545:96 650.60657:28 662.58179:69 666.43866:19 666.60004:47 666.8313:47 667.4024:40 676.1344:8 676.17743:19 676.33209:39 676.52081:7 676.54785:18 676.71857:16 676.78137:49 676.84552:18 676.97058:16 677.14691:9 677.19507:17 677.33948:15 677.67847:15 677.75269:28 677.9798:8 678.18518:14 678.34656:12 678.47113:16 678.54132:5 678.79657:13 678.89362:12 679.30084:16 679.42694:19 679.63409:22 679.75122:40 679.82538:7 679.9494:53 680.05756:24 680.22919:46 680.33447:66 680.4201:276 680.61908:108681 681.42865:77 681.47552:138 681.52856:143 681.62115:3320 681.84424:114 681.88922:96 681.94421:76 681.98224:48 682.04608:44 682.15021:77 682.22845:45 682.25507:57 682.29572:32 682.32452:48 682.37567:47 682.4295:33 682.45721:25 682.51874:55 682.55304:28 682.60175:24 682.72742:22 682.76251:34 682.85663:23 682.93488:23 682.98242:7 683.0191:32 683.07959:30 683.11572:22 683.16089:10 683.2229:24 683.26929:16 683.36157:29 683.38672:45 683.44458:8 683.51318:43 683.72998:35 683.84747:11 683.88361:20 683.91974:26 683.974:31 684.12848:25 684.25391:14 684.66101:10 684.79517:5 684.92316:6 685.58295:7 685.94775:24 686.08118:10 686.72144:9 686.80542:8 687.08618:16 687.1994:7 687.66602:16 690.11475:12 690.61133:10 697.56:7 697.7973:20 703.49554:8 726.52026:21 726.6225:7 161084 182851 224228 0 0 0 0 707482 651124 643158 601731 597688 574313 580261 0 1418118 1435576 1123661 1199870 1209433 1011929 253466 172316 228153 0 0 1325784.91666667 1140411.02083333 217978.359375 189387.880208333 622250.857142857 0 0 175262.259955274 111371.112836493 41520.9881866373 32075.4464848043 47645.6386050766 719 8.587 726.6629 Cer 42:0;3O [M+CH3COO]- adduct linked to 588_[M-H]-; similar chromatogram in higher mz_1034; similar chromatogram in higher mz_1073; adduct linked to 689_[M+FA-H]-; adduct linked to 1239_[2M-H]-; similar chromatogram in higher mz_733 0.792 True 13.2 726.66168 C42H85NO4 Cer_NP ZESJDNWGTANZCC-UHFFFAOYSA-N O=C(NC(CO)C(O)C(O)CCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCCCCCCC 420 True True True False False null null 100 99.9 63.5 52.2 100 3776.58 P. cold 1 726.66205:152138 727.6654:97808 728.66876:23039 57.97621:75 59.01315:293 61.98706:52 103.03877:21 151.55421:14 174.58366:13 175.83688:6 225.22318:78 244.11584:22 250.25986:7 255.23259:324 255.76692:22 267.20804:114 267.23264:1494 267.27853:11 267.49414:11 267.61197:5 268.23328:70 278.25186:43 280.26077:37 281.26175:17 284.26556:23 286.60156:42 297.24591:79 302.78909:6 316.28326:112 330.71341:29 349.34595:150 349.60077:24 351.3606:82 366.37146:282 366.73322:40 366.82657:13 367.1105:13 367.24954:23 367.29022:36 367.35645:907 367.41507:5 367.75299:11 368.33432:48 378.37787:38 381.37485:33 389.18817:12 392.38953:185 404.39905:5 408.35663:23 408.3847:234 409.34775:13 410.28708:9 410.32086:32 410.39825:1637 410.49512:10 410.90823:11 411.13239:7 411.31284:15 411.35666:34 412.18225:7 422.30344:23 422.39954:1948 422.48853:6 422.52548:12 422.65338:21 422.78827:24 423.04416:19 423.37094:15 423.73383:8 446.36267:42 490.9769:17 495.99155:21 547.24817:18 581.83441:34 600.60352:50 616.59515:27 630.52319:19 630.58136:66 630.61841:318 630.86847:20 630.98999:31 631.12891:14 631.61511:7 631.83868:22 634.56055:25 634.61395:248 635.06738:14 635.48108:8 635.60864:42 636.62982:38 648.57336:24 648.62982:287 648.74176:13 649.81604:21 662.31104:8 662.35748:24 662.39307:9 662.48145:15 662.50867:39 662.58899:24 662.67755:33 662.73993:15 662.98901:21 663.05127:19 663.46075:29 663.68317:21 663.95026:6 664.04822:6 664.26166:6 665.00128:16 665.15155:24 665.39343:38 665.4176:11 665.44971:33 665.59845:13 665.7597:33 665.82538:36 665.93726:29 665.98792:10 666.06213:22 666.13348:32 666.2699:23 666.30414:24 666.44897:160 666.64154:103579 667.41992:70 667.46997:78 667.6427:1614 667.70947:77 667.79443:62 667.89117:107 667.94733:60 668.01367:71 668.06635:18 668.13525:58 668.17786:36 668.21533:43 668.258:83 668.34344:48 668.39264:38 668.48688:38 668.5531:16 668.62646:33 668.69568:39 668.73163:55 668.80145:15 668.84607:15 668.901:31 668.92841:26 669.03503:32 669.09833:11 669.13336:14 669.18921:27 669.26746:25 669.33002:29 669.36578:17 669.46411:14 669.57141:10 669.60718:59 669.75024:19 669.86981:13 669.92914:12 669.98279:16 670.03644:12 670.08209:8 670.14557:11 670.31482:16 670.36743:10 670.38629:10 670.43903:25 670.50165:31 670.53741:9 670.75201:18 670.98499:16 671.052:18 671.30713:14 671.33398:26 671.6673:6 671.78174:8 671.84442:9 671.93152:9 672.03253:14 672.59058:9 673.42139:6 673.5199:14 673.59204:16 673.90601:15 673.98669:11 675.08118:14 675.6922:11 680.46466:11 684.33344:22 687.19287:15 687.21124:8 687.29248:14 688.77435:14 695.21906:10 695.97089:5 709.60132:11 726.34094:5 726.53076:8 726.65771:60 726.98364:65 1281823 1055484 1127715 4817 1648 1026 1114 1983890 2092157 2130839 1891065 1978036 1594806 1720749 3414 1716506 1377971 2308923 1343197 1859702 1455735 1066687 1043076 1241881 3292.7744140625 1070.08673095703 1801133.08333333 1552878.20833333 1117214.375 1155007.5 1913077.33928571 1588.01341240341 62.0457715965098 471210.562106417 271609.781069774 108607.666612661 115611.156739953 194719.891679271 720 3.128 727.4278 w/o MS2:PA 15:3_24:6 [M+FA-H]- adduct linked to 615_[M-H]- 0.25 False 7.91 727.43439 C42H65O8P PA MQFXQFHYXNPREB-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCC=CCC=CCC=CCC=CCC=CCC=CCC)COP(=O)(O)O)CCCCC=CCC=CCC=CCC 530 True True False False False null null 80.5 99.9 null null null 140.74 P. room temp 3 727.4278:9044 728.43115:4868 729.43451:1104 44652 41566 46052 0 0 0 0 14599 12815 14409 13049 12053 12107 12616 0 0 0 0 0 0 421 61071 52533 66742 0 0 0 140.255798339844 60115.23046875 44090.0234375 13092.5662667411 0 0 0 242.930168780744 7152.32776097019 2295.57593027748 1029.56391291977 721 8.127 727.61804 w/o MS2:SE 24:1;O4/23:0 [M-H]- ion correlated with 793 0.583 True 13.61 727.62457 C47H84O5 DCAE APRNHEFAWSBBMN-UHFFFAOYSA-N O=C(O)CCC(C)C1CCC2C3CCC4CC(OC(=O)CCCCCCCCCCCCCCCCCCCCCC)CCC4(C)C3CC(O)C12C 530 True True False False False null null 90.4 99.9 null null null 393.45 B. room temp 3 727.61804:42462 728.62139:23047 729.62475:5476 61.94329:9 61.96226:8 61.9877:13465 62.02011:52 62.03844:26 62.07519:11 62.09833:32 62.12011:19 62.13095:13 62.15552:24 62.19367:15 62.2182:15 62.24777:20 62.26727:27 62.28635:5 62.30545:17 62.57575:14 62.59764:12 133.36404:8 255.23552:28 267.23129:102 268.23181:70 366.86368:9 379.37302:15 391.36719:5 410.38562:35 422.35098:16 422.38129:33 423.39035:66 645.3537:42 663.97357:13 665.41675:48 665.61963:171 666.04779:6 666.49609:20 666.56708:38 666.62177:394 666.99469:24 667.44525:41 667.5069:43 667.55786:83 667.62811:2185 667.77197:19 667.87915:6 667.90771:22 668.00317:18 668.06671:13 668.11365:11 668.25427:25 668.55145:22 668.61304:174 668.69202:8 668.76349:28 669.08527:20 669.14783:12 669.63049:7 669.73785:10 670.4624:20 681.61182:27 683.56958:15 727.51105:14 727.61163:8 727.66052:20 38172 44496 54059 1988 556 588 0 204650 223849 224912 236032 238111 247662 246041 2642 465853 450080 434819 437616 416436 395520 45601 35475 39481 1728.72013346354 293.952728271484 450250.65625 416524.385416667 40185.8255208333 45575.796875 231608.131696429 1067.13214663175 415.711935018106 15517.4509930994 21048.23184997 5099.77675720094 7998.51499328047 15053.578865697 722 8.136 728.64117 Cer 41:0;4O|Cer 18:0;3O/23:0;(2OH) [M+CH3COO]- ion correlated with 695; adduct linked to 589_[M-H]-; adduct linked to 683_[M-H2O-H]- 0.5 True 12.73 728.64099 C41H83NO5 Cer_AP LXCDJSOYWPJYDC-UHFFFAOYSA-N O=C(NC(CO)C(O)C(O)CCCCCCCCCCCCCC)C(O)CCCCCCCCCCCCCCCCCCCCC 410 True True True False False null null 100 99.9 84.5 77.5 100 719.33 P. cold 2 728.64136:42244 729.64471:28151 730.64807:7084 57.97609:40 61.98755:829 84.4601:14 89.01039:30 89.02316:59 134.741:28 225.22232:50 255.23688:58 255.40794:14 267.23373:99 279.2027:24 316.28326:50 323.32803:158 344.27835:38 351.31461:48 358.29251:36 368.32312:38 368.35294:28 369.33389:360 369.98294:8 370.20996:5 370.81415:31 375.30576:20 376.34406:7 390.17044:54 396.38754:17 409.22894:35 410.34811:27 412.37909:172 412.87186:5 424.33871:24 424.38428:84 432.26926:7 620.57434:15 632.59674:36 636.58356:44 638.60779:16 650.61151:52 664.40454:5 664.44904:15 664.66174:10 664.68915:16 664.82318:11 664.86774:15 666.08893:6 666.62244:86 666.67767:14 667.26923:28 667.42731:37 667.63263:17 667.86481:13 668.18671:38 668.23096:28 668.32922:23 668.43433:100 668.46484:261 668.61945:35947 668.90869:75 669.02295:52 669.08228:40 669.12012:31 669.17474:37 669.21393:22 669.25317:39 669.30182:39 669.41833:39 669.46704:72 669.52606:86 669.57428:103 669.62006:720 669.68323:18 669.7171:26 669.76196:30 669.81342:57 669.91132:59 669.97394:34 670.07227:41 670.13489:48 670.16174:37 670.26013:14 670.32056:22 670.36749:21 670.39435:41 670.47485:40 670.55542:30 670.59821:13 670.6449:10 670.77911:18 670.85071:15 670.89545:12 671.2981:29 671.54004:10 671.63879:21 672.08411:15 672.32825:5 672.38202:11 672.50934:12 672.73145:8 672.896:10 675.50366:12 676.55035:8 682.62799:56 710.57092:50 712.0614:42 714.96863:16 728.58081:41 728.67102:31 328153 310942 325331 243 0 0 0 274930 230257 222376 201771 203947 182387 201553 281 0 0 0 0 0 0 298018 259047 327726 174.570398966471 0 0 0 294930.197916667 321475.385416667 216745.75 152.36450416516 0 0 0 34443.643748324 9230.53546047272 29997.3533271879 723 8.358 728.6416 w/o MS2:Cer 17:0;3O/24:0;(2OH) [M+FA-H]- ion correlated with 758; adduct linked to 617_[M-H]- 0.792 True 12.73 728.64099 C41H83NO5 Cer_AP WPOLKPIVJDIQMS-UHFFFAOYSA-N O=C(NC(CO)C(O)C(O)CCCCCCCCCCCCC)C(O)CCCCCCCCCCCCCCCCCCCCCC 530 True True False False False null null 74.5 99.9 null null null 1578.07 QC-1 728.6416:111515 729.64495:60484 730.64831:13915 42.03502:60 59.01244:34 71.37494:30 75.00781:51 108.46916:58 208.78043:6 251.24084:35 255.21103:18 255.23212:261 266.25229:15 267.2294:227 280.23956:37 281.24698:7 284.25751:67 308.25601:18 316.28806:26 328.98364:28 337.34671:137 365.39032:7 375.36859:42 378.3671:63 382.37015:174 382.6134:14 383.21518:20 383.29761:88 383.35175:650 383.81067:11 408.38129:55 426.3327:38 426.39325:261 438.39374:464 438.86356:7 439.34146:7 439.3985:27 445.11099:7 640.34229:10 646.6095:22 650.61304:87 660.77112:5 664.62439:95 668.41425:26 668.62024:52 678.33136:19 678.3598:22 678.51123:28 678.539:16 678.60248:54 678.88092:29 679.26837:17 679.35309:6 679.5567:24 679.70886:6 680.0603:5 680.6463:51 680.96167:17 681.2052:10 681.37653:12 681.50262:14 681.59302:22 681.64264:7 682.04803:26 682.10535:25 682.14343:46 682.25171:26 682.33136:69 682.40094:107 682.63538:68966 683.2475:67 683.29547:29 683.33966:81 683.41418:27 683.45953:86 683.55792:212 683.63623:3005 683.84357:37 683.89789:76 683.94965:79 683.97131:41 684.05304:73 684.12067:17 684.23218:53 684.27521:39 684.36536:29 684.42853:36 684.48071:25 684.52808:68 684.62103:45 684.66394:33 684.71735:99 684.93494:48 684.9892:15 685.0451:5 685.11377:14 685.17914:20 685.25378:7 685.35101:25 685.38721:5 685.44153:26 685.48669:28 685.59521:15 685.62836:12 685.72192:8 685.80017:8 685.8396:21 685.90991:26 685.98438:6 686.08392:36 686.12787:7 686.27246:5 686.87158:13 687.17047:8 687.77753:13 687.92249:9 687.96783:10 688.16724:12 688.41193:26 690.19012:8 690.5896:13 690.87903:10 701.95032:16 703.5542:8 705.32336:5 707.26105:29 723.79724:11 726.73712:12 728.01392:20 728.67584:40 896698 757632 769518 8422 1834 1326 565 896947 874151 836658 723256 756458 604204 648316 2773 521399 465233 475255 318388 448644 352730 722806 663650 787471 4343.1181640625 945.734710693359 487295.791666667 373254.03125 724642.458333333 807949.416666667 762855.785714286 3563.28562684554 538.414382821766 29956.7751288004 67509.4541702583 61930.9546341709 77087.5118600337 112333.428390337 725 2.611 729.422 w/o MS2:PG 20:4_12:0;1O [M-H]- ion correlated with 858; ion correlated with 852; similar chromatogram in higher mz_858; adduct linked to 852_[M+Hac-H]-; found in higher mz's MsMs_852; adduct linked to 831_[M+FA-H]- 0.5 True 7.6 729.43481 C38H67O11P OxPG RDRVMXWZXLEWPF-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCC(O)CCCCC)COP(=O)(O)OCC(O)CO)CCCCCCC=CCC=CCC=CCC=CCC 530 True True False False False null null 61.8 99.9 null null null 130.43 P. cold 3 729.422:12629 730.42535:6362 731.42871:1686 69.03529:49 73.03052:27 95.05245:25 112.98796:13 161.67381:39 163.0741:18 163.10823:13 189.05893:76 189.09138:886 207.10385:353 207.14986:5 235.08264:76 253.08984:61 257.98837:47 281.23969:13 303.17938:14 303.23294:376 303.60669:10 425.18683:34 443.15948:12 475.25876:24 539.3222:70 621.29016:17 633.36169:35 683.4129:26 711.29718:44 729.22302:14 729.26929:16 729.35913:144 729.42206:3479 729.52124:38 729.57715:14 729.76392:11 729.88281:14 83541 88047 102480 0 0 0 0 24725 31787 30754 32888 31322 32587 34347 0 623 723 1978 2802 3131 2987 78563 71215 82735 0 0 1107.80804443359 2973.2421875 77504.3098958333 91355.8177083333 31201.4905133929 0 0 755.095871019973 164.527939956242 5832.43290224795 9893.44900435341 3086.45678324413 726 7.646 729.60083 w/o MS2:SE 24:1;O4/22:0;1O [M-H]- 0.792 True 12.14 729.60388 C46H82O6 DCAE CDCCUQDTKHKXCE-UHFFFAOYSA-N O=C(O)CCC(C)C1CCC2C3CCC4CC(OC(=O)CCCCCCCC(O)CCCCCCCCCCCCC)CCC4(C)C3CC(O)C12C 530 True True False False False null null 97.8 99.9 null null null 506.55 B. room temp 2 729.60083:48171 730.60418:23704 731.60754:5931 45.99288:72 59.00957:121 59.07015:15 61.98811:20194 62.02959:88 62.03896:54 62.06049:41 62.08251:11 62.10148:43 62.1125:24 62.12801:24 62.17239:39 62.19419:24 62.20725:6 62.24058:11 62.25133:6 62.26097:11 62.27327:13 62.31415:39 62.33325:13 62.39328:9 62.40147:10 62.41785:7 62.45267:23 62.54895:30 83.00905:13 233.15695:9 255.23216:42 283.27814:33 285.26416:50 289.69208:14 295.0228:41 359.28848:11 369.31967:27 523.02405:42 578.35919:53 604.20947:32 640.16437:18 666.6084:17 667.59991:44 668.61011:45 668.96991:7 669.61273:231 669.99384:5 729.59546:149 729.77441:9 105726 113420 133338 0 0 0 0 159020 158574 163378 159459 161283 168002 164343 0 363668 380239 281743 319042 345877 281156 143396 111537 137296 0 0 341883.395833333 315358.260416667 130743.153645833 117494.640625 162008.417410714 0 0 52737.9778662977 32517.0208889666 16910.6847470045 14250.0633940583 3439.91339827611 727 8.592 729.63831 Unknown [M-H]- 0.792 True null null null null null null 999 False False False False False null null null null null null null 628.27 P. cold 1 729.63727:27530 730.64062:13462 731.64398:3135 45.99268:51 61.96795:32 61.98814:8700 62.04142:21 62.05503:20 62.06864:58 62.08778:12 62.11177:21 62.12037:11 62.16395:41 62.18827:16 62.20483:9 62.2648:17 62.34124:12 62.46109:7 62.47683:11 62.94559:26 88.00549:37 255.22112:46 256.23676:15 268.23474:33 283.26419:637 365.34024:45 369.36459:52 391.22183:38 423.39917:38 473.40405:25 666.19519:15 667.64056:114 667.82837:12 668.57861:25 668.64777:172 669.48694:29 669.55133:65 669.64703:806 669.77643:11 669.91058:28 669.96637:6 670.08051:6 670.28796:6 670.36273:6 670.41473:9 670.99573:8 672.39417:32 683.56464:28 683.63574:213 729.56598:31 729.63129:54 252025 226024 244595 7542 2911 2788 1729 326007 346342 362319 343331 348031 319639 329124 7470 319462 272235 406658 289411 369914 308402 235664 223618 274723 5974.30786132813 2258.58264160156 332785.09375 322575.552083333 244668.453125 240881.578125 339256.388392857 2652.96159009541 748.916368592609 68194.9291083349 42081.1633042783 26716.0698972754 13392.6577145623 14937.2352953562 728 8.108 730.61273 w/o MS2:CerP 14:0;2O/28:0 [M-H2O-H]- ion correlated with 963; ion correlated with 916; adduct linked to 880_[M+Hac-H]- 0.5 False 12.93 730.612 C42H86NO6P CerP ATXDNBIZNRFPQG-UHFFFAOYSA-N O=C(NC(COP(=O)(O)O)C(O)CCCCCCCCCCC)CCCCCCCCCCCCCCCCCCCCCCCCCCC 530 True True False False False null null 99.7 99.9 null null null 302.28 B. cold 2 730.61273:18131 731.61608:9772 732.61944:7259 16469 21639 37445 260 0 0 0 98435 121011 109819 122455 121895 123249 118150 1361 176041 187275 159404 183541 196158 178473 32128 29615 32370 540.374348958333 0 174240.005208333 186057.114583333 31371.1595052083 25184.23046875 116430.583705357 722.707060012624 0 14022.5329073871 9106.98334242478 1525.53060686 10928.3390120428 9166.40161617768 729 8.975 730.64679 Unknown [M-H]- similar chromatogram in higher mz_787; similar chromatogram in higher mz_794 0.292 False null null null null null null 999 False False False False False null null null null null null null 80.2 QC-2 730.64679:4456 731.65014:2594 732.6535:1849 19449 17009 17802 417 0 0 0 31755 31107 31967 28854 30760 25022 28903 0 16533 12401 34146 15705 20662 14714 16789 12442 21696 138.913726806641 0 21026.6549479167 17027.27734375 16975.5791015625 18086.337890625 29766.7430245536 240.605632697844 0 11547.6534588875 3186.65908852824 4629.61539603221 1244.68979119759 2438.10041708494 730 7.977 731.57764 Unknown [M-H]- ion correlated with 1210 0.125 False null null null null null null 999 False False False False False null null null null null null null 74.03 B. cold 2 731.57764:4004 732.58099:2352 733.58435:818 3100 2068 2816 0 0 0 0 11158 9573 9921 9211 9526 9356 9466 0 18727 21005 17122 22762 26466 24179 2951 2126 2107 0 0 18951.486328125 24468.947265625 2394.1923828125 2661.19873046875 9744.55092075893 0 0 1951.1231748812 1868.95576080881 481.912937366266 533.288398782835 660.688114936763 731 8.139 731.61609 w/o MS2:PE-Cer 12:0;2O/27:0 [M-H]- ion correlated with 695 0.542 True 11.81 731.60718 C41H85N2O6P PE_Cer ALXNACIZMDTYFC-UHFFFAOYSA-N O=C(NC(COP(=O)(O)OCCN)C(O)CCCCCCCCC)CCCCCCCCCCCCCCCCCCCCCCCCCC 530 True True False False False null null 83.1 99.9 null null null 617.01 P. cold 1 731.61609:45933 732.61944:21379 733.6228:4488 34.96893:70 45.99306:48 59.01476:44 61.78191:7 61.9301:22 61.98824:16898 62.02732:70 62.05245:19 62.06335:38 62.09065:32 62.12052:14 62.14021:28 62.16682:43 62.17772:35 62.21178:6 62.22452:10 62.24313:19 62.25404:15 62.3237:22 62.33313:21 62.36275:22 62.37691:8 62.44479:22 62.46143:21 62.5625:11 62.66093:11 62.74316:9 62.80872:31 62.99233:10 64.57089:57 88.04136:52 203.52042:51 283.26276:8 283.35828:14 284.2619:27 332.26688:15 340.33429:46 604.99084:57 668.58911:23 669.62482:42 670.61884:35 671.20642:9 671.57666:46 671.62366:460 671.82739:14 672.00458:8 672.61578:18 695.55255:22 695.63678:360 695.85333:14 731.53497:13 731.61383:454 414074 384758 390271 3228 1721 1508 937 177049 192181 193586 193399 201526 194047 197847 4765 107324 107189 102357 105986 122790 104906 377530 334220 401486 3238.09562174479 1222.45950317383 105623.375 111227.145833333 371078.760416667 396367.78125 192804.988839286 1521.85853859653 404.021540240667 2829.63958022779 10028.121635102 34094.1207876454 15580.0493220008 7666.4508674306 732 7.481 732.59174 w/o MS2:Cer 26:3;3O/22:6 [M-H]- 0.583 True 11.81 732.59363 C48H79NO4 Cer_NP IRJAPQDAFYEKME-UHFFFAOYSA-N O=C(NC(CO)C(O)C(O)CCCC=CCCC=CCCC=CCCCCCCCCC)CCC=CCC=CCC=CCC=CCC=CCC=CCC 530 True True False False False null null 75.4 99.9 null null null 159.67 B. cold 2 732.59174:17618 733.59509:10728 734.59845:8694 82.02689:13 92.8154:30 118.05298:17 130.05379:24 205.76926:20 338.26001:12 374.29047:315 695.44366:47 696.31879:10 696.44995:32 696.53265:89 696.58087:153 696.61304:1585 696.76562:8 696.79431:14 696.90533:11 696.98737:12 697.03925:7 697.0849:9 697.25018:10 697.35858:25 697.41895:18 697.61542:97 729.12024:10 731.0155:6 732.05292:42 732.19318:10 732.33301:14 732.38202:57 732.46747:174 732.5907:8218 732.71155:37 732.78485:23 732.83301:72 732.88959:20 732.93402:28 732.97839:38 733.02441:18 733.07056:18 13575 15651 18435 0 0 0 0 27579 29329 31207 30678 28805 30247 31664 0 78604 82445 55075 131698 130462 95854 25404 22073 23282 0 0 72041.4908854167 119338.1015625 23586.4720052083 15887.28515625 29929.9137834821 0 0 14818.4461888636 20347.0854807057 1686.31384604661 2438.62144991175 1440.43173561579 733 8.573 732.6283 w/o MS2:RIKEN N-VS1 ID-4917 from Mouse_Feces_WT_ABX_Ctr [M-H]- ion correlated with 968 0.75 False 13.21 732.62939 Unknown 530 True True False False False null null 99.4 99.9 null null null 202.12 P. cold 3 732.6283:18521 733.63165:8326 734.63501:7869 165498 149389 169381 10809 2035 1323 0 71647 75622 78336 73012 74029 65503 71181 1119 38735 37125 34078 35147 45467 35540 150695 134708 166403 4654.08854166667 661.442443847656 36645.9361979167 38717.9244791667 150602.036458333 161422.53125 72761.33984375 5349.60767404199 935.42087481856 2364.80239795702 5848.07933003325 15847.6109573571 10600.9985422379 4027.92379229335 734 4.873 733.48169 w/o MS2:PA 11:0_28:6 [M-H]- 0.167 False 8.98 733.48138 C42H71O8P PA SFZGNNVMULOHKA-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCCCC=CCC=CCC=CCC=CCC=CCC=CCC)COP(=O)(O)O)CCCCCCCCCC 530 True True False False False null null 100 99.9 null null null 140.88 P. cold 1 733.48169:8633 734.48504:5693 735.4884:980 64228 63475 58718 0 0 0 0 15694 16634 15432 15692 14668 15868 16479 0 2189 1091 1185 8993 4399 2712 14306 11266 22291 0 0 1488.19295247396 5368.09228515625 15954.0126953125 62140.3723958333 15780.9602399554 0 0 608.36253331445 3250.93688223713 5694.39152031785 2988.07320952022 658.127324895013 735 5.265 733.50305 w/o MS2:PG 6:0_27:1 [M-H]- 0.167 False 8.66 733.5025 C39H75O10P PG WSMWVYXMDVNKKE-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCCCCCCCCCC=CCCCCCCCCCC)COP(=O)(O)OCC(O)CO)CCCCC 530 True True False False False null null 99.8 99.9 null null null 72.2 P. room temp 3 733.50305:3823 734.5064:2210 735.50976:656 21048 21711 22218 0 0 0 0 15082 13676 14408 13566 13549 14766 13133 0 10439 10837 10169 11032 12523 10747 28849 27725 29131 0 0 10481.6868489583 11433.8616536458 28567.89453125 21659.2239583333 14025.9522879464 0 0 336.230809297754 953.595455900755 743.779948017248 586.665469455942 726.583740163332 736 8.756 733.61359 w/o MS2:AAHFA 28:6/21:1;O [M-H]- 0.25 False 13.1 733.61401 C49H82O4 FAHFA CGEWQEDEJIUWIC-UHFFFAOYSA-N O=C(OC(C(=O)O)CCCCCCCCC=CCCCCCCCCC)CCCCCCCCC=CCC=CCC=CCC=CCC=CCC=CCC 530 True True False False False null null 99.9 99.9 null null null 179.23 B. cold 2 733.61359:10559 734.61694:7600 735.6203:2313 2204 1720 2857 0 0 0 0 16734 19715 18356 19041 20473 20947 19206 0 67624 70208 41963 65060 76997 62407 1199 2250 2158 0 0 59931.5872395833 68154.5078125 1868.82206217448 2260.56188964844 19210.2848772321 0 0 15615.0377544787 7771.58295149846 582.213051933032 570.414902169812 1399.80973283283 737 7.983 734.60577 w/o MS2:Cer 12:2;2O/36:6;(2OH) [M-H]- ion correlated with 970 0.542 False 12.03 734.60931 C48H81NO4 Cer_AS SROJVIPHTLWXCL-UHFFFAOYSA-N O=C(NC(CO)C(O)C=CCCC=CCCC)C(O)CCCCCCCCCCCCCCCC=CCC=CCC=CCC=CCC=CCC=CCC 530 True True False False False null null 93.9 99.9 null null null 124.16 P. room temp 1 734.60577:9038 735.60912:4763 736.61248:4505 53820 56248 59965 1469 0 0 0 32119 32566 31289 33572 36959 33972 33528 0 16023 19190 23058 25999 20439 18663 65450 55106 62389 489.780680338542 0 19423.5690104167 21700.3834635417 60981.72265625 56677.55859375 33429.2232142857 848.325022912005 0 3523.21537444579 3827.46671577863 5313.59593157591 3095.36397644158 1817.75581530482 738 1.531 735.37915 w/o MS2:DGDG O-15:3_3:0 [M-H]- 0.083 False 5.88 735.38092 C33H56O14 EtherDGDG GTXVKWYLJDWSSF-UHFFFAOYSA-N O=C(OC(COCCCCCC=CCC=CCC=CCC)COC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O)CC 530 True True False False False null null 98.4 99.9 null null null 65.31 P. cold 1 735.37915:3297 736.3825:1314 737.38586:0 15782 22746 13141 0 0 0 0 19448 15344 15875 14983 14188 15280 14769 0 12618 11475 12756 12341 19667 17949 23416 19907 20974 0 0 12283.0550130208 16652.4921875 21432.3079427083 17222.990234375 15698.1379743304 0 0 703.452261662895 3831.17211076728 1799.06167544775 4961.79516596843 1734.4475938324 739 5.368 735.49628 w/o MS2:PA 11:0_28:5 [M-H]- 0.125 False 9.27 735.49701 C42H73O8P PA MHMBBRBHYAMVFR-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCCCCCCC=CCC=CCC=CCC=CCC=CCC)COP(=O)(O)O)CCCCCCCCCC 530 True True False False False null null 99.7 99.9 null null null 79.27 P. cold 2 735.49628:4148 736.49963:2732 737.50299:469 34092 37116 33981 0 0 0 0 13078 11272 10281 11963 11720 11681 11502 0 2703 1687 2692 8316 4680 3557 8656 7187 11344 0 0 2360.56632486979 5517.77897135417 9062.47119140625 35062.9479166667 11642.4116908482 0 0 583.54623125645 2487.62299861525 2108.17418940999 1779.07846560738 834.938577075915 740 9.117 735.62903 w/o MS2:AAHFA 28:6/21:0;O [M-H]- similar chromatogram in higher mz_851 0.25 False 13.24 735.6297 C49H84O4 FAHFA NUHIMBYRQWLGRV-UHFFFAOYSA-N O=C(OC(C(=O)O)CCCCCCCCCCCCCCCCCCC)CCCCCCCCC=CCC=CCC=CCC=CCC=CCC=CCC 530 True True False False False null null 99.8 99.9 null null null 107.68 B. cold 2 735.62903:6591 736.63238:5005 737.63574:1778 237 0 0 0 0 0 0 9021 8340 9482 8863 10160 7901 9318 0 41800 39885 23495 34636 46075 35601 0 0 0 0 0 35059.86328125 38770.5598958333 0 79.0267537434896 9012.24058314732 0 0 10061.5417140404 6343.93484260287 0 136.878352640958 746.035092993792 741 1.719 737.39587 w/o MS2:DGDG O-15:2_3:0 [M-H]- 0.083 False 6.19 737.39648 C33H58O14 EtherDGDG SYVPMWUHJZIEKY-UHFFFAOYSA-N O=C(OC(COCCCCCCCC=CCC=CCCC)COC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O)CC 530 True True False False False null null 99.8 99.9 null null null 72.18 P. room temp 1 737.39587:3637 738.39922:1539 739.40258:434 24923 24385 23971 0 0 0 0 16212 11844 11187 12175 11903 10954 12224 0 2078 5207 3534 4500 1283 658 28805 25941 27903 0 0 3606.17333984375 2147.28678385417 27549.8893229167 24426.544921875 12356.8450055804 0 0 1565.41789510907 2061.61651290597 1464.33488718803 477.409673853435 1766.16233899112 742 2.185 737.41174 w/o MS2:PA 18:5_22:6 [M+Hac-H]- ion correlated with 610; adduct linked to 610_[M-H]- 0.25 True 7.73 737.41882 C43H63O8P PA HRZCHIZOLKTHPY-UHFFFAOYSA-N O=C(OCC(OC(=O)CCC=CCC=CCC=CCC=CCC=CCC=CCC)COP(=O)(O)O)CC=CCC=CCC=CCC=CCC=CCC 530 True True False False False null null 89.1 99.8 null null null 97.46 P. room temp 3 737.41174:5108 738.41509:3057 739.41845:683 57.03362:10 59.30188:14 69.03525:115 163.06984:31 163.09306:16 163.11343:23 189.09196:388 190.09457:18 207.10484:229 209.3037:13 221.08371:12 235.08237:25 251.20184:217 253.03366:29 253.07767:42 287.35104:11 302.12711:32 443.15692:17 459.28934:35 487.29111:29 647.33112:15 676.33063:8 677.38867:2308 677.6073:30 677.86816:15 677.98718:14 678.06158:8 678.13806:11 678.26404:26 678.30908:20 678.39111:79 678.43536:9 678.7771:13 678.82367:5 679.2002:13 679.35339:6 701.39679:55 708.47937:55 719.41296:12 737.41156:183 737.51624:28 41928 41977 43410 0 0 0 0 14286 12085 12742 12245 12358 11468 12595 0 0 0 0 0 347 0 44708 41980 47841 0 0 0 115.539642333984 44843.1653645833 42438.3515625 12539.9195033482 0 0 0 200.120530810797 2932.89549940704 841.889437912328 872.66981733382 743 6.273 738.50824 PE 36:4|PE 16:0_20:4 [M-H]- similar chromatogram in higher mz_991; similar chromatogram in higher mz_919 0.792 True 9.16 738.50787 C41H74NO8P PE NQIMLWFRWGTTOZ-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCC=CCC=CCC=CCC=CCC)COP(=O)(O)OCCN)CCCCCCCCCCCCCCC 410 True True True False False null null 100 100 62.7 60 100 257.5 P. cold 3 738.50824:27084 739.51159:13737 740.51495:3003 59.01475:35 96.96874:29 196.0345:55 235.94148:35 255.07248:10 255.19296:26 255.23206:352 291.15927:19 301.73691:12 303.18521:39 303.23337:916 303.30502:16 327.11041:28 355.71182:51 434.25586:44 452.27585:123 453.64127:11 482.30511:6 500.28:23 638.07635:15 678.59723:16 678.97534:31 697.32141:17 725.47589:9 733.86713:19 733.94177:15 734.14526:8 734.2041:15 734.54987:9 734.68164:14 736.11536:10 737.82562:11 738.16296:47 738.50732:17142 738.64624:92 738.71259:68 738.7522:34 738.80658:35 738.83661:35 738.91272:125 738.96533:32 162239 165284 205194 0 0 0 0 85484 83347 80571 78559 83268 81715 78478 0 51936 55698 36803 68828 66769 64873 179710 181033 175479 0 0 48145.8776041667 66823.0598958333 178740.447916667 177572.338541667 81631.6484375 0 0 10001.3672809216 1978.17154128474 2901.22024209604 23969.8553264192 2613.32781482555 744 8.336 738.66333 Cer 43:1;3O|Cer 19:1;3O/24:0 [M+CH3COO]- adduct linked to 612_[M-H]-; adduct linked to 1242_[2M-H]- 0.792 True 13.11 738.66168 C43H85NO4 Cer_NP VKGPTEOGLIRWOO-UHFFFAOYSA-N O=C(NC(CO)C(O)C(O)CCCC=CCCCCCCCCCC)CCCCCCCCCCCCCCCCCCCCCCC 410 True True True False False null null 100 99.9 72.1 40.1 100 3596.67 B. room temp 3 738.66309:345676 739.66644:229375 740.6698:58258 41.99891:46 57.97417:65 58.0326:12 59.01338:510 59.88325:10 61.65021:12 70.02942:93 72.03576:51 72.99226:12 84.36014:10 93.00178:43 98.03663:56 121.76506:20 130.18117:14 147.81442:28 155.7148:24 159.51907:9 175.30096:26 182.94067:40 217.43472:28 223.2097:18 225.22191:42 231.93532:11 235.11417:13 237.22224:40 248.33987:6 255.16652:23 255.20424:45 255.23245:430 267.19226:55 267.23245:2343 267.30603:15 267.36816:32 267.41922:6 267.44727:8 267.48404:19 267.73172:11 268.21069:12 268.24466:51 276.26645:17 279.23419:26 280.26459:184 284.26062:46 297.23917:64 297.34711:5 314.84091:40 316.21732:8 316.28375:65 351.19882:12 351.30423:17 360.32968:9 360.36148:18 361.26379:20 361.34705:55 363.36356:63 365.35785:7 367.83499:38 378.37149:605 378.86725:15 379.07071:10 379.30197:90 379.35678:2503 379.45764:17 379.5014:9 379.56219:6 379.60895:26 379.87833:11 380.19513:8 380.35742:124 390.36176:16 392.39432:28 402.38669:10 404.35318:32 404.38739:412 405.38681:16 416.39426:19 420.28021:16 420.31992:61 420.34769:77 420.38376:731 420.44009:10 420.51096:13 420.76608:21 420.98593:11 421.31857:34 421.49646:15 422.29813:43 422.39874:3066 422.49731:18 422.53271:27 422.5899:23 422.63229:14 422.80576:21 422.90643:21 422.93069:22 423.02295:14 423.10126:17 423.21497:14 423.25052:17 423.37177:33 423.39996:86 431.8313:10 432.44186:6 434.26895:33 434.31226:41 434.39893:4022 434.66147:13 434.6795:24 435.04623:13 435.40082:108 435.5907:8 436.11609:13 436.33081:15 478.45004:20 506.41959:30 551.56885:18 564.67651:22 612.60901:114 618.48993:14 628.0686:16 630.61597:55 642.49109:8 642.526:20 642.61395:748 642.80634:10 643.0166:26 643.06915:6 643.18311:7 643.21375:14 643.56:29 643.61829:60 643.64764:13 644.11938:10 644.35791:12 646.54285:20 646.61127:557 647.61383:60 647.8728:17 648.62885:68 649.64905:6 660.58484:43 660.62616:465 667.13995:6 674.17346:12 674.23914:20 674.2652:32 674.34613:14 674.41296:32 674.47876:37 674.55249:38 674.61548:36 674.71759:27 674.78455:8 674.83057:24 674.91797:24 674.93842:39 675.0191:19 675.10889:19 675.25256:22 675.28845:31 675.32434:21 675.90887:27 676.03394:7 676.12378:8 676.29456:23 676.34039:16 676.41132:28 676.47424:51 676.5282:16 676.61102:16 676.69897:34 676.7439:24 676.8158:24 676.84277:36 676.9057:20 676.93268:17 677.03253:21 677.12891:18 677.25635:33 677.33728:12 677.44519:9 677.48865:40 677.59814:22 677.68079:18 677.75104:20 677.83051:42 677.87811:26 677.92944:15 677.97528:38 678.00305:16 678.03748:17 678.07861:32 678.15753:47 678.23193:78 678.25476:78 678.31335:90 678.40631:153 678.63885:228999 679.46619:124 679.49829:191 679.53851:194 679.64124:8033 679.71875:229 679.84399:136 679.92419:60 679.97418:40 680.05688:73 680.09888:69 680.20001:72 680.24249:28 680.29108:53 680.32855:54 680.47253:55 680.55316:44 680.61652:35 680.72125:43 680.7641:75 680.7879:42 680.83374:30 680.89972:29 680.93024:50 681.0144:57 681.06042:53 681.09503:43 681.1557:60 681.18542:63 681.27289:18 681.29999:41 681.33856:19 681.46112:51 681.5401:33 681.57959:24 681.62598:7 681.69031:54 681.73297:17 681.81799:22 681.88635:24 681.93011:22 681.98608:55 682.02911:48 682.11426:57 682.1571:15 682.18414:11 682.27441:40 682.41766:24 682.49103:20 682.51819:19 682.63263:29 682.68964:26 682.82507:33 682.95709:33 683.06335:16 683.15021:34 683.16827:23 683.28571:13 683.31274:27 683.39404:18 683.4682:19 683.50494:16 683.67407:20 683.90002:5 684.07172:29 684.23114:5 684.40161:25 684.46039:17 684.57336:8 684.88531:11 684.97577:5 685.24432:10 685.59088:19 685.68134:17 686.16095:13 686.21649:13 686.26971:10 686.36011:18 686.41705:9 686.66791:11 686.74042:7 686.89502:12 686.9325:12 687.04828:5 687.09515:5 687.46497:5 688.03589:15 689.96906:9 692.62067:21 695.69946:12 696.03497:8 696.16272:8 696.32684:10 697.37579:18 699.21002:20 699.28424:8 699.79602:17 700.51837:22 700.87506:17 701.29596:15 702.17468:14 702.51349:17 702.88904:7 706.04401:34 706.79706:8 710.59619:8 715.53204:7 727.78552:21 728.2417:6 738.6676:46 739.03351:50 41575 53394 65050 650 0 0 0 1384201 1331658 1294907 1335070 1317849 1366067 1375423 731 3743854 3500972 2840870 3222822 2702592 2266390 54823 35992 40953 460.489481608073 0 3361898.33333333 2730601 43922.8125 53339.87890625 1343596.60714286 400.84660587991 0 467280.225970545 478830.671183653 9760.59500035113 11737.7891756989 32699.1286548845 745 2.325 739.38293 Unknown [M-H]- 0.125 True null null null null null null 999 True False False False True null null null null null null null 94 P. room temp 2 739.38293:14685 740.38628:6435 741.38964:6165 34.96704:114 189.08076:35 207.09978:130 277.21503:109 281.24496:23 458.17545:32 679.4043:51 703.31915:16 703.36542:106 703.40472:603 704.40094:43 705.86902:32 736.88361:9 737.47424:14 738.99536:14 739.04236:14 739.21149:42 739.27692:66 739.38245:6160 739.53308:24 739.59485:8 739.64545:8 739.68127:15 739.79773:17 739.86731:55 30492 30329 40383 0 0 0 0 19359 21786 22410 23420 24061 22208 22076 0 0 0 0 0 0 0 47548 133741 71924 0 0 0 0 84404.3828125 33734.7259114583 22188.7131696429 0 0 0 0 44431.3185633981 5757.81887413795 1486.12208962386 746 5.265 739.53973 w/o MS2:PE-Cer 13:1;2O/26:3;O [M-H]- 0.833 False 9.24 739.53961 C41H77N2O7P PE_Cer KVGHOVWCVMBUOY-UHFFFAOYSA-N O=C(NC(COP(=O)(O)OCCN)C(O)C=CCCCCCCCC)CC(O)CCCCCCCCC=CCC=CCC=CCCCCCCC 530 True True False False False null null 100 99.9 null null null 69.24 IS 2 739.53973:6915 740.54308:224790 741.54644:94422 38211 39904 39417 0 0 34632 49285 33749 31523 31062 29183 30683 32689 29309 0 31816 33523 35797 34250 37699 23757 42721 37959 39954 0 41958.767578125 33711.7955729167 31902.0091145833 40211.5729166667 39177.29296875 31171.166015625 0 10361.0395530801 1997.36314817559 7261.76513034494 2391.40929359446 871.158634976611 1670.55990141556 747 2.171 740.38605 w/o MS2:PS 9:0_22:6;2O [M-H]- 0.208 True 6.27 740.37799 C37H60NO12P OxPS LLFVYQQDXUHLMF-UHFFFAOYSA-N O=C(O)C(N)COP(=O)(O)OCC(OC(=O)CCC=CCC=CCC=CC=CC(O)CC=CCC=CC(O)C)COC(=O)CCCCCCCC 530 True True False False False null null 86.2 99.9 null null null 112.71 P. cold 3 740.38605:6569 741.3894:3034 742.39276:992 61.98822:3047 62.02532:12 62.06335:27 62.14777:11 62.16226:11 62.17515:13 62.21861:17 183.10899:8 207.09511:17 208.43983:5 377.27979:26 546.02216:31 613.68567:50 54820 54121 65351 0 0 0 0 15576 24361 16042 16132 15870 16225 15562 0 0 0 0 0 0 0 62996 4799 44461 0 0 0 0 37419.0092773438 58096.8828125 17109.8405412946 0 0 0 0 29730.7966237446 6291.55834061871 3207.88654551032 748 5.263 740.54718 PG 15:0_18:1(d7) [M-H]- adduct linked to 1259_[2M-H]-; found in higher mz's MsMs_1259 0.875 True 8.65 740.54657 C39H68D7O10P PG CAKDJPLPYOYWLK-AHOXJELVNA-N [H][C@](O)(CO)COP(OC[C@]([H])(OC(CCCCCCC/C=C\CCCCCC([2H])([2H])C([2H])([2H])C([2H])([2H])[2H])=O)COC(CCCCCCCCCCCCCC)=O)(=O)O 430 True True True False False null null 85.8 99.9 66.7 45.7 100 1960.61 B. room temp 1 740.54718:89191 741.55053:54251 742.55389:10638 34.90582:5 59.01468:40 61.98768:57 71.01344:21 78.95794:33 152.99612:184 241.16171:28 241.21786:440 241.354:6 250.1852:27 287.28619:63 288.23358:55 288.29205:1645 288.3508:6 288.41379:22 288.66489:9 288.88333:16 288.9249:9 289.29504:68 319.23602:5 329.97476:23 337.65158:49 346.17487:18 377.20535:98 403.04126:15 407.26215:28 451.2413:48 469.19431:10 469.25497:76 498.32971:53 516.31543:28 624.24261:17 626.87848:55 719.42499:7 735.70758:12 735.76385:11 735.84821:24 735.92316:29 735.99335:20 736.08929:8 736.12476:18 736.17633:14 736.22327:25 736.42004:10 736.56073:22 736.617:9 736.72943:15 736.99219:44 737.4425:20 737.72406:23 738.39996:27 738.7561:6 738.9361:19 739.04797:12 739.1701:22 739.32043:11 739.5835:21 739.79968:21 739.93262:15 740.1286:26 740.18506:16 740.22345:39 740.27795:80 740.33044:128 740.54913:55300 740.96381:192 741.01208:67 765672 765975 782761 0 0 792562 1138535 637849 630925 607154 627066 613908 627638 594224 0 658832 671038 746064 705674 798610 499957 830972 760079 841179 0 965548.28125 691978.145833333 668079.989583333 810743.520833333 771469.458333333 619823.642857143 0 244639.81021328 47235.9324587066 152834.54982246 44172.4591476379 9779.98617121285 15343.3983328978 749 8.11 740.64178 w/o MS2:Cer 17:0;3O/25:1;(2OH) [M+FA-H]- ion correlated with 786; adduct linked to 641_[M-H]- 0.792 True 12.62 740.64099 C42H83NO5 Cer_AP TZHGLJRMAWJSRW-UHFFFAOYSA-N O=C(NC(CO)C(O)C(O)CCCCCCCCCCCCC)C(O)CCCCCCCCCCCC=CCCCCCCCCCC 530 True True False False False null null 77.5 99.9 null null null 969.62 B. room temp 1 740.64178:96308 741.64513:56521 742.64849:12497 71.01612:35 72.99519:31 75.00845:217 88.04087:52 123.73349:7 250.24493:36 255.19928:28 255.2325:89 267.23468:54 267.36349:15 268.2626:39 274.6731:20 279.23325:26 298.2785:14 308.26123:20 316.28452:26 349.30533:40 349.34775:36 349.69937:13 377.341:55 379.35477:8 390.33542:19 390.37509:29 391.47675:24 393.90762:18 394.34952:22 394.36725:65 395.35156:523 396.00897:10 396.45605:23 420.37802:75 436.37573:27 438.31952:35 438.39493:201 439.07953:13 450.39249:224 462.35477:13 621.39478:32 658.57886:20 662.53809:11 662.60498:60 664.62097:59 666.79541:16 676.61652:54 676.9801:25 679.82544:14 680.55408:32 680.61713:481 681.62665:57 681.73547:13 690.03387:9 690.17914:15 690.28802:36 690.367:10 690.55133:8 690.61621:7 690.71484:20 690.85101:5 690.95093:26 691.09625:20 691.17804:10 691.36884:19 691.92224:25 692.01404:6 692.34839:12 693.07837:11 693.30133:12 693.66943:24 693.72394:5 693.86145:17 693.92615:8 693.97888:23 694.01526:34 694.07898:12 694.13312:13 694.18823:43 694.27002:29 694.35016:49 694.44385:139 694.63635:61562 695.16217:61 695.21338:52 695.28796:67 695.33801:65 695.40997:69 695.45886:50 695.63733:1175 695.72968:103 695.7998:73 695.89301:41 696.03406:28 696.09296:24 696.12976:43 696.16663:59 696.23547:26 696.30072:15 696.39111:26 696.44025:42 696.49353:47 696.52087:15 696.68182:13 696.73975:40 696.82062:14 696.84973:26 696.88568:36 696.96777:34 697.02252:28 697.10199:8 697.25977:14 697.30725:6 697.34186:38 697.4696:8 697.57739:17 697.66125:7 697.77496:7 698.24548:10 698.43726:22 698.89392:32 698.93964:20 699.09589:8 699.46918:11 699.58838:16 700.62152:36 700.8252:9 701.71442:10 702.01245:8 702.14978:9 713.86517:6 740.45593:19 66917 72939 83161 0 0 0 0 408852 421200 388716 399656 388178 365726 365005 260 852755 846754 678191 762452 775798 615884 109506 79732 95198 86.6945495605469 0 792566.625 718044.854166667 94812.3177083333 74339.2135416667 391047.388392857 150.159364578165 0 99098.017476484 88725.171753328 14890.9268618823 8211.94951435494 20949.8690973379 750 7.886 740.64209 Cer 42:1;4O|Cer 18:0;3O/24:1;(2OH) [M+CH3COO]- ion correlated with 718; adduct linked to 613_[M-H]- 0.792 True 12.66 740.64099 C42H83NO5 Cer_AP VLYZTRXYHZTBJS-UHFFFAOYSA-N O=C(NC(CO)C(O)C(O)CCCCCCCCCCCCCC)C(O)CCCCCCCCCCC=CCCCCCCCCCC 410 True True True False False null null 100 99.9 87.2 78 100 1457.67 QC-5 740.64148:62787 741.64483:37327 742.64819:8994 57.97599:77 88.0393:34 89.02199:66 197.90039:22 225.22229:18 250.24893:20 255.23428:88 267.23239:294 279.22046:55 293.03693:25 316.25903:56 335.27844:32 335.32935:161 336.01291:62 336.048:6 348.03076:9 349.35269:31 358.29245:55 363.32297:31 365.33829:20 380.35632:75 381.18448:13 381.33624:993 388.32291:60 406.36795:30 422.36215:53 424.37665:228 436.38037:249 451.75189:21 541.58942:9 648.59229:42 662.49976:20 662.60645:34 672.85687:13 673.47546:26 676.05151:26 676.19995:14 676.29419:22 676.37048:15 676.43677:10 676.48285:23 676.59027:14 676.7345:17 676.7641:21 676.81543:11 677.09863:8 677.64221:10 677.86761:16 677.89459:28 678.40741:18 678.63226:22 678.75854:27 678.83832:7 679.90234:36 680.0285:15 680.1311:7 680.21771:21 680.34387:28 680.47882:309 680.62042:53662 681.0658:96 681.11121:65 681.18945:71 681.24109:15 681.32825:86 681.38617:18 681.62195:1028 681.72546:93 681.78656:79 681.82178:20 681.88916:63 681.95984:30 682.01117:63 682.05347:24 682.12769:23 682.2807:35 682.32812:35 682.41803:24 682.45386:18 682.58459:18 682.68024:29 682.78857:29 682.81073:12 682.85303:7 682.91724:42 683.18463:9 683.24915:18 683.29449:28 683.67371:22 683.81982:5 683.93573:14 684.38647:14 684.4165:18 684.82227:6 684.87592:8 685.69:23 685.98505:17 687.72729:15 689.1861:13 694.62775:191 694.9776:18 695.02313:9 695.62427:22 696.02557:10 701.02106:23 701.05762:20 701.1217:9 722.57941:52 723.28961:10 740.5368:12 740.58527:58 113670 135678 160508 275 0 0 0 627004 491839 464865 454375 456633 456928 444991 0 1226226 1221758 881577 1014675 1058686 842968 185717 124691 168239 91.6589965820313 0 1109853.66666667 972109.979166667 159548.684895833 136618.721354167 485233.625 158.75803905086 0 197705.693279585 113984.378605626 31427.335032442 23433.2866705588 64223.844628846 751 8.971 740.67737 w/o MS2:Cer 12:0;2O/31:0;(2OH) [M+FA-H]- adduct linked to 787_[M+CH3COO]- 0.458 False 13.28 740.67743 C43H87NO4 Cer_ADS CANKSDQVKGMVSB-UHFFFAOYSA-N O=C(NC(CO)C(O)CCCCCCCCC)C(O)CCCCCCCCCCCCCCCCCCCCCCCCCCCCC 530 True True False False False null null 100 99.9 null null null 308.9 QC-1 740.67737:21135 741.68072:12844 742.68408:3127 33353 29241 30040 31 0 0 253 148928 147150 140835 124989 126949 90236 99457 0 99758 64264 149313 79428 124034 79738 29095 25180 32603 10.3589998881022 126.651245117188 104444.751302083 94399.8984375 28959.3815104167 30877.9127604167 125506.103794643 17.9423141217933 179.111908536166 42717.9292757253 25664.0441902653 3713.037004827 2180.41581694284 23010.7115007354 752 8.779 740.67773 Cer 43:0;3O|Cer 18:0;3O/25:0 [M+CH3COO]- 0.75 True 13.27 740.67743 C43H87NO4 Cer_NP PMJABXIZLCOFDV-UHFFFAOYSA-N O=C(NC(CO)C(O)C(O)CCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCCCCCCCC 410 True True True False False null null 100 99.9 61.5 53.4 100 569.02 B. cold 3 740.67798:29832 741.68133:18598 742.68469:4479 44.99758:8 57.97616:78 59.0143:137 72.99208:17 109.30351:22 158.97408:55 225.2225:42 255.1819:32 255.2318:46 267.23312:399 279.2323:18 280.22803:56 303.23331:50 363.3609:44 380.38849:204 381.37247:154 406.36938:17 406.4032:38 418.37946:19 424.36047:37 424.41476:343 425.42029:24 425.99942:6 436.41315:352 436.52563:11 469.36346:34 493.22549:32 644.63031:168 648.61975:41 648.63763:36 662.64545:54 664.43176:14 676.96948:15 677.05884:13 679.6333:34 679.91205:24 680.35321:33 680.42651:24 680.51257:149 680.65619:19066 680.79187:141 680.83539:76 680.88599:47 680.91486:42 681.00104:50 681.08191:42 681.12964:75 681.20117:32 681.27319:26 681.32123:23 681.38831:22 681.44537:68 681.50763:21 681.55243:66 681.6084:73 681.6593:496 681.72815:24 681.76935:42 681.89551:19 681.94073:19 681.99518:29 682.07654:19 682.18445:32 682.34589:37 682.4101:36 682.51855:18 682.59875:8 682.82538:19 683.36725:8 683.69592:16 683.76929:17 684.21661:20 684.57227:23 684.78497:10 685.07556:28 694.62567:93 695.47937:13 695.63434:24 706.54834:24 740.8573:25 88111 67503 69080 580 0 0 403 303181 307586 308627 265425 282636 208803 230914 0 256823 182813 385602 202483 271518 209657 80223 66993 84668 193.483439127604 201.610931396484 275079.453125 227885.786458333 77294.8619791667 74897.9088541667 272453.198660714 335.123146992171 285.12091350358 102619.964678873 37956.4082856937 9193.99357556073 11470.3768420794 39616.8538201852 753 2.694 741.39905 w/o MS2:PG 10:0_22:6;2O [M-H]- similar chromatogram in higher mz_781; similar chromatogram in higher mz_816; similar chromatogram in higher mz_979 0.542 True 6.92 741.39838 C38H63O12P OxPG RZRTWWIBDLTXLO-UHFFFAOYSA-N O=C(OCC(OC(=O)CCC=CCC=CCC=CC=CC(O)CC=CCC=CC(O)C)COP(=O)(O)OCC(O)CO)CCCCCCCCC 530 True True False False False null null 99.9 99.9 null null null 179.53 P. room temp 2 741.39905:22828 742.4024:10298 743.40576:9206 34.96884:271 69.03534:73 88.989:34 189.07391:29 189.09036:65 207.10458:31 208.10574:23 235.08733:33 279.22946:119 443.1705:40 515.91083:7 579.43011:18 630.0177:8 659.06177:39 681.40729:30 704.5564:8 705.36511:44 705.42041:804 706.42871:31 706.62158:23 740.37811:16 741.13873:7 741.1947:23 741.23755:63 741.39758:8394 741.55206:51 741.60223:39 741.63684:30 741.76282:33 741.80621:10 741.88989:29 70098 67413 83432 0 0 0 0 54944 61679 59540 57154 53997 55600 54087 0 249 0 0 480 0 1221 99609 205318 152619 0 0 82.8584950764974 566.90614827474 152515.3359375 73647.5911458333 56714.3113839286 0 0 143.515123311189 614.918549900434 52854.2207067839 8579.57130590516 2929.39221042734 754 3.141 741.44385 w/o MS2:PA 16:3_24:6 [M+Hac-H]- ion correlated with 767; ion correlated with 615; adduct linked to 615_[M-H]- 0.542 True 8.09 741.45007 C43H67O8P PA QMNQDKTUNWCJDV-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCC=CCC=CCC=CCC=CCC=CCC=CCC)COP(=O)(O)O)CCCCCC=CCC=CCC=CCC 530 True True False False False null null 91.6 99.9 null null null 202.31 P. room temp 3 741.44385:20480 742.4472:9633 743.45056:2977 69.03397:122 83.0502:65 95.04923:30 125.06271:36 145.05115:31 163.11383:22 179.11069:38 188.9556:7 189.09183:1142 189.16243:17 189.29076:15 189.3716:8 190.98325:13 206.94617:12 207.07063:31 207.10307:408 235.08302:163 253.09143:148 253.95306:14 255.2327:808 255.29843:19 343.1521:33 425.17401:19 491.3201:298 596.27759:43 673.17285:22 676.55487:13 677.18744:10 680.24701:14 680.55499:22 681.12152:7 681.18463:21 681.24774:43 681.276:62 681.31366:132 681.42169:9891 681.53351:48 681.60858:23 681.68909:35 681.74359:46 681.79443:26 681.85858:28 681.90479:34 681.98602:30 682.04163:32 682.07776:7 682.12573:31 682.2229:41 682.2735:19 682.32147:7 682.4256:83 682.46582:26 682.52905:21 682.71924:22 682.74573:6 682.93536:26 683.27863:16 683.71216:8 683.81152:11 685.03192:32 686.33032:13 721.03558:44 723.46857:37 740.99902:34 741.21649:44 741.28235:13 741.34821:38 741.44598:357 741.51434:10 98816 99877 106177 0 0 0 0 47446 38888 39587 38586 40926 40883 40427 0 395 933 483 3137 3089 2357 144491 132915 154334 0 0 603.75580851237 2860.89916992188 143913.401041667 101623.453125 40963.2483258929 0 0 288.818975354723 436.785681221856 10721.4955367028 3978.75141749571 3004.55080595453 755 4.444 741.47217 PG 34:4|PG 16:1_18:3 [M-H]- similar chromatogram in higher mz_931 0.792 True 8.13 741.47119 C40H71O10P PG BFIMUUYOALOYGB-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCCC=CCC=CCC=CCC)COP(=O)(O)OCC(O)CO)CCCCCCCC=CCCCCCC 410 True True True False False null null 100 99.9 54.3 49.9 100 796.84 P. room temp 3 741.47125:17404 742.4746:8988 743.47796:2321 61.98722:30 111.49081:11 152.98038:48 152.99747:55 227.03111:14 253.21957:141 275.92252:11 277.21655:362 279.63708:14 283.26016:18 323.32843:7 426.30658:21 457.23395:20 463.24655:44 469.26715:45 505.19217:29 505.25516:540 505.72131:6 634.01581:19 645.64923:15 694.52728:27 739.1571:18 740.59393:19 741.03052:18 741.27997:59 741.35339:153 741.47174:9819 741.57947:66 741.62018:66 741.7146:26 741.73999:35 741.80127:51 741.87274:40 741.91791:24 149941 149995 168741 0 0 0 0 253473 243191 240351 241376 243955 250178 245777 0 479984 533829 429202 445791 528249 463271 107339 107785 122599 0 0 481005.208333333 479103.4375 112574.455729167 156225.302083333 245471.555803571 0 0 52321.1133860826 43449.3759902082 8684.48782987978 10838.7699626077 4774.22210490235 756 8.331 741.63947 w/o MS2:SE 24:1;O4/24:0 [M-H]- ion correlated with 785 0.125 True 13.91 741.6402 C48H86O5 DCAE NGWQOPBVAPEBNW-UHFFFAOYSA-N O=C(O)CCC(C)C1CCC2C3CCC4CC(OC(=O)CCCCCCCCCCCCCCCCCCCCCCC)CCC4(C)C3CC(O)C12C 530 True True False False False null null 99.9 99.8 null null null 461.81 B. room temp 3 741.63947:37273 742.64282:64875 743.64618:28094 45.9929:44 61.9882:13549 62.02978:50 62.039:31 62.05805:22 62.08255:22 62.14052:8 62.16153:17 62.18091:32 62.19695:12 62.21332:35 62.22426:14 62.33337:24 62.42334:16 62.67937:8 62.73359:8 62.80066:6 83.02799:16 258.25534:12 267.23346:12 268.23438:6 299.16232:22 379.13251:6 379.37457:88 423.40121:60 424.41144:9 426.3714:43 435.39777:81 436.40567:45 452.39926:32 648.63751:7 663.54382:18 678.62787:36 678.65863:51 679.64288:282 680.64752:298 680.81531:8 681.20306:27 681.47375:20 681.52484:41 681.58575:162 681.64838:2165 681.7262:26 681.77148:8 681.88165:14 681.99689:25 682.10522:26 682.27478:13 682.5058:69 682.55573:15 682.63428:524 682.87158:12 682.9267:17 683.20667:8 692.08655:7 695.58606:52 695.63831:151 2596 6948 8191 646 238 0 0 162353 150911 139532 154431 146753 170076 166521 801 468985 458795 359187 456310 391291 340526 5968 3171 3433 561.630549112956 0 428989.125 396042.020833333 4190.76668294271 5911.80607096354 155796.736607143 290.675111107291 0 60664.5139643455 58038.0870590255 1544.82107116263 2938.13657772875 11060.1072712261 757 8.79 741.68091 w/o MS2:AAHFA 28:3/21:0;O [M-H]- 0.042 False 13.98 741.67657 C49H90O4 FAHFA MYLBJXWVVMSGKU-UHFFFAOYSA-N O=C(OC(C(=O)O)CCCCCCCCCCCCCCCCCCC)CCCCCCCCCCCCC=CCC=CCC=CCCCCCCC 530 True True False False False null null 91 99.9 null null null 349.77 QC-4 741.68091:17488 742.68426:4732 743.68762:0 39334 30472 31380 0 0 0 0 138512 144338 152156 120010 134980 95660 113013 0 119738 79241 187089 89094 125891 93621 35872 29512 38923 0 0 128689.541666667 102868.799479167 34768.73046875 33728.6640625 128381.462053571 0 0 54478.4398182873 20066.0124342596 4801.51744323028 4875.67033360343 19761.2115386036 758 8.36 742.65704 Cer 42:0;4O|Cer 18:0;3O/24:0;(2OH) [M+CH3COO]- ion correlated with 723; adduct linked to 617_[M-H]- 0.792 True 13.03 742.65662 C42H85NO5 Cer_AP ZFUXWVVVWGWGPQ-UHFFFAOYSA-N O=C(NC(CO)C(O)C(O)CCCCCCCCCCCCCC)C(O)CCCCCCCCCCCCCCCCCCCCCC 410 True True True False False null null 100 99.9 98 76.7 100 1657.46 QC-7 742.65698:89929 743.66033:57631 744.66369:13092 42.03479:77 57.97626:213 58.22119:14 61.88661:13 61.98806:1933 62.01444:12 62.07459:8 62.2078:23 71.01602:40 88.0392:114 89.02328:94 103.04064:34 158.97455:30 165.83022:25 181.80324:21 225.22293:73 253.08365:43 255.23233:99 267.17493:30 267.21481:54 267.31229:28 271.59467:33 279.23288:63 280.26733:18 284.25562:33 308.25473:16 315.44278:50 316.28302:49 332.55807:20 337.3009:24 337.34534:96 338.30441:8 372.2338:19 378.3588:8 382.36792:112 383.31506:62 383.35184:540 384.10699:17 385.5712:23 399.44022:32 408.38467:28 425.40823:19 426.39435:303 427.98495:15 438.35721:36 438.39172:244 438.64459:19 507.82141:21 616.59796:24 634.60779:39 646.60864:24 650.61139:40 651.61603:10 664.6286:49 678.22943:19 678.34595:11 678.41388:7 678.45325:7 678.57147:16 678.60748:36 679.02185:8 679.07562:31 679.18365:9 680.05743:30 680.3819:18 680.45569:30 680.60724:47 681.14825:27 681.26001:19 681.44586:14 681.64246:26 681.86084:20 681.91498:22 682.08643:21 682.177:35 682.2218:24 682.33911:19 682.38428:33 682.44568:112 682.63635:62566 683.12262:92 683.19019:57 683.23419:54 683.27045:28 683.31757:67 683.35388:57 683.43091:116 683.51666:71 683.63647:1106 683.71204:95 683.81165:20 683.87415:55 683.94653:47 683.97162:25 684.00244:38 684.06165:29 684.17279:38 684.21942:40 684.29944:20 684.34967:36 684.42578:26 684.46222:57 684.534:25 684.60657:41 684.70264:30 684.75232:40 684.83264:19 684.86884:26 684.97699:21 685.01343:34 685.16681:32 685.25769:13 685.42957:11 685.46576:20 685.49097:12 685.59241:33 685.77338:9 685.87292:14 685.90009:17 686.22626:11 686.37073:34 686.53094:6 686.6062:19 686.76508:6 686.90497:14 687.13031:14 688.13715:25 688.42719:8 688.50507:8 689.36139:7 689.8786:17 691.51324:15 715.58978:14 724.58398:6 742.44904:21 742.63733:36 875908 733455 746437 5335 1009 1271 325 1001834 829256 829766 736458 780077 637730 683158 1881 567896 489161 491604 447033 519896 424574 673052 657836 740191 2741.66448974609 797.593536376953 516220.229166667 463834.59375 690359.5625 785266.583333333 785468.357142857 2287.58575981056 669.026551939001 44769.0840138787 49832.6176665837 43820.5661364562 78765.2364786672 119316.645498644 759 8.563 742.65765 w/o MS2:Cer 17:0;3O/25:0;(2OH) [M+FA-H]- ion correlated with 791; adduct linked to 650_[M-H]- 0.542 True 12.97 742.65662 C42H85NO5 Cer_AP BNMCVZKHKAODIC-UHFFFAOYSA-N O=C(NC(CO)C(O)C(O)CCCCCCCCCCCCC)C(O)CCCCCCCCCCCCCCCCCCCCCCC 530 True True False False False null null 67.6 99.9 null null null 617.61 P. cold 1 742.65765:41910 743.661:21429 744.66436:4929 59.01206:25 75.00771:121 279.22757:13 281.24515:64 284.25623:28 298.98209:8 351.34802:41 410.39725:36 422.33395:28 440.40503:65 452.40598:78 506.55176:39 660.62592:38 667.6507:20 678.65985:32 682.12994:24 682.63354:921 682.93335:10 683.19525:8 683.27771:10 683.61084:16 684.01422:5 692.12964:15 692.37097:18 692.44781:15 692.92981:50 693.18457:21 693.79388:9 694.32983:16 695.46991:25 696.2204:35 696.37238:23 696.65082:21817 696.76965:185 696.82257:123 696.87482:79 696.95099:57 697.02911:95 697.13702:55 697.198:54 697.26044:53 697.31232:66 697.34796:41 697.40314:42 697.43127:37 697.47614:37 697.53735:60 697.60114:67 697.65173:485 697.7608:51 697.79553:22 697.90625:17 698.00549:26 698.0694:23 698.10596:30 698.21552:9 698.25226:38 698.32025:13 698.41034:29 698.47028:25 698.4986:15 698.82672:7 699.26434:11 699.56042:14 699.97119:7 700.32629:5 705.47461:5 739.11798:23 742.46686:83 742.5791:64 742.65509:1569 742.76038:7 742.80505:13 743.02167:25 330051 286042 281601 7169 783 261 0 249825 221054 233318 218352 218647 168139 183552 561 118060 106377 103329 89348 126968 85945 275359 237404 315216 2837.42423502604 130.269653320313 109255.403645833 100753.520833333 275992.885416667 299231.572916667 213269.658482143 3752.77530985713 184.229110491227 7775.46773597994 22765.6946487765 38909.4874678663 26782.7132212284 28206.0325537371 760 5.331 743.46484 w/o MS2:PA 20:4_20:4 [M-H]- 0.042 True 8.37 743.4657 C43H69O8P PA ZZJHFZGBYCOAKS-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCC=CCC=CCC=CCC=CCC)COP(=O)(O)O)CCCCCCC=CCC=CCC=CCC=CCC 530 True True False False False null null 76 100 null null null 8.76 QC-4 743.46484:4863 744.46819:1925 745.47155:0 78.95422:59 138.008:21 152.99684:124 227.03552:30 253.21738:227 253.48448:7 255.17563:22 279.19125:36 279.23138:407 279.28375:6 279.49243:24 303.16464:38 303.23276:17 303.45541:14 320.23431:19 347.22714:27 392.29562:10 415.20993:30 463.24408:45 477.9313:15 489.26013:56 504.64752:11 507.10373:19 507.20456:42 507.27112:2257 507.37103:12 507.46936:13 507.59387:11 507.67844:14 507.85443:6 507.88962:23 508.27176:96 508.34137:26 508.67642:5 509.26108:18 511.35413:7 533.42596:12 558.36273:32 563.42834:16 597.44043:24 599.46033:18 621.36066:8 643.26892:25 738.95807:12 739.0116:12 739.07941:22 739.29547:26 739.37067:25 739.4834:16 739.86615:13 740.64911:21 741.12878:15 741.72699:22 742.61584:21 743.08667:59 743.11646:36 743.16199:6 743.21912:26 743.25708:49 743.32379:306 743.48663:47479 743.93268:14 18311 15473 33433 4551 244 250 0 28774 144960 141527 122755 104661 8768 8500 201 30519 31834 42825 41113 51214 58754 49923 34002 45924 1665.30777486165 124.836029052734 35059.138671875 50360.5260416667 43283.1796875 22405.4993489583 79991.943359375 2499.48995973659 176.544805359179 6757.73205973423 8851.51799991946 8282.4043891093 9654.83477796523 62251.9204778369 761 5.234 743.46594 w/o MS2:PA 18:3_22:5 [M-H]- 0.208 True 8.35 743.4657 C43H69O8P PA ZPMXZRHAPHFDFR-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCC=CCC=CCC=CCC=CCC=CCC)COP(=O)(O)O)CCCCCCCC=CCC=CCC=CCC 530 True True False False False null null 78.6 100 null null null 112.17 B. cold 3 743.46594:13241 744.46929:5458 745.47265:0 81.89498:14 116.69064:13 117.50449:12 152.48091:42 152.994:199 171.00806:51 227.03072:104 254.42062:16 255.18372:62 255.23193:1977 255.33086:17 255.4192:17 255.71284:5 255.84428:7 256.24997:19 259.20361:25 277.19598:104 277.21649:605 278.21921:36 278.98395:27 280.04691:16 312.24054:27 329.8718:34 391.20432:12 413.19495:14 413.21249:101 431.19968:13 483.23114:25 487.17322:18 487.25009:121 504.52405:29 505.26556:55 568.19635:49 600.40063:12 604.05334:13 697.53094:5 738.49823:26 738.61615:15 738.77991:6 738.89264:9 738.93018:11 739.06171:12 739.1087:18 739.16888:6 739.27777:41 739.72998:10 740.5188:16 740.61249:10 741.00751:11 741.06396:5 741.22412:48 741.33673:10 741.50702:13 741.69434:17 741.84961:10 742.18372:10 742.24963:12 742.50385:17 742.96515:26 743.13428:46 743.16455:47 743.31805:433 743.48755:72693 4506 3851 5516 4971 244 250 0 149392 144960 141527 122755 17525 5309 6601 2601 51012 47888 273899 60611 67260 344465 49923 4412 6966 2605.43283081055 124.836029052734 124266.204427083 157445.317708333 20433.5133463542 4624.38452148438 84009.7381417411 2363.87339996073 176.544805359179 129594.836943998 161998.108560374 25570.736687365 838.840058310782 70006.1856719001 762 4.985 743.46893 w/o MS2:PA 14:1_26:7 [M-H]- 0.083 True 8.29 743.4657 C43H69O8P PA RKZNIFUQNWVYBU-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCC=CCC=CCC=CCC=CCC=CCC=CCC=CCC)COP(=O)(O)O)CCCCCCCC=CCCCC 530 True True False False False null null 97.7 99.9 null null null 555.97 B. room temp 2 743.46893:45631 744.47228:60302 745.47564:14641 44.99785:78 61.98861:38 70.39571:24 70.69029:15 78.95852:102 119.48457:28 124.15244:13 127.54425:18 152.99507:416 153.04884:12 171.00519:27 227.03125:61 251.62909:30 253.21623:578 253.59521:9 253.70615:11 259.24451:65 279.17517:14 279.23282:957 279.29608:10 279.57834:6 280.21539:75 280.23419:42 296.12231:46 303.16904:19 303.20447:91 303.23285:326 304.23965:6 360.98044:16 415.22162:201 433.2005:15 434.20526:16 439.13629:21 439.22403:628 456.87204:14 457.1232:7 457.23456:201 463.25027:23 483.27795:21 489.2594:61 497.06335:22 504.31589:12 507.14685:47 507.27188:3725 507.37146:35 507.41678:17 507.44788:19 507.53372:22 507.60654:17 507.64993:14 507.67877:12 507.70477:23 507.77759:24 507.86014:14 507.93839:9 508.18762:11 508.26608:76 508.32782:7 508.36511:6 508.55377:7 508.96686:9 517.97906:11 521.42529:7 637.19586:20 661.26617:33 665.47577:16 670.45013:8 674.47552:8 720.48547:25 736.97937:9 738.5564:8 738.72876:5 738.7818:26 738.86633:12 738.93005:13 738.99786:8 739.07288:8 739.13873:19 739.2066:12 739.2984:24 739.43939:10 739.47766:19 739.52405:14 739.60846:26 739.78241:12 739.83508:26 739.8999:30 741.43018:22 741.63977:31 741.75269:26 741.78094:9 741.97858:9 742.5528:15 742.83203:13 742.9389:35 743.00476:43 743.0434:30 743.0965:30 743.14764:58 743.2121:82 743.48639:90713 4350 121 347 9290 88 0 0 2271 2141 24660 14156 501 40 304 1120 521318 665222 4052 365691 391826 5348 7689 4567 146 3499.31742604574 0 396863.794433594 254288.255859375 4134.08324686686 1606.36043802897 6296.0125541687 5041.31408966843 0 347711.199512857 215984.089542627 3790.32733556382 2379.15949393687 9496.38712722891 763 4.892 743.4873 PG 34:3|PG 16:1_18:2 [M-H]- 0.792 True 8.15 743.48688 C40H73O10P PG PTJBFPPEYDFAAQ-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCCC=CCC=CCCCCC)COP(=O)(O)OCC(O)CO)CCCCCCCC=CCCCCCC 410 True True True False False null null 100 99.9 52.5 46.8 100 1171.35 P. room temp 1 743.48724:49482 744.49059:29291 745.49395:6646 30.43877:28 33.12621:10 147.02583:9 152.99445:48 227.04594:18 253.17097:55 253.21568:451 253.35245:12 253.71677:8 255.23441:73 259.24542:59 279.23193:374 279.55719:9 280.23193:7 303.22711:26 338.31619:27 358.37885:30 415.22058:58 461.3353:24 481.25818:15 489.26028:28 507.14935:91 507.21594:132 507.2702:1733 507.3764:23 507.43866:21 507.65982:8 508.00772:19 508.22308:7 508.27188:16 511.06458:15 683.51978:7 719.26111:28 725.18689:9 738.75159:9 738.8913:14 739.0899:36 739.24939:5 739.46552:10 739.75684:16 742.0141:18 742.22034:13 742.48083:24 743.01221:9 743.1629:40 743.48663:32468 743.86768:23 743.93274:39 743.97894:34 428399 431227 448530 0 0 0 0 526432 496089 502524 495532 492996 517487 509970 0 1122271 1202747 1052325 1388671 1131794 958638 362588 362286 389043 0 0 1125781.08333333 1159700.97916667 371305.75 436051.979166667 505861.415178571 0 0 75272.5885086096 216370.362206275 15362.0264378228 10898.1455088274 12609.5815768358 764 4.667 743.48755 PG 34:3|PG 16:0_18:3 [M-H]- similar chromatogram in higher mz_1263; similar chromatogram in higher mz_1261; found in higher mz's MsMs_1261 0.792 True 8.26 743.48688 C40H73O10P PG MLANVLMRGHBUJH-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCCC=CCC=CCC=CCC)COP(=O)(O)OCC(O)CO)CCCCCCCCCCCCCCC 410 True True True False False null null 100 99.9 53.6 47.1 100 1611.3 QC-1 743.48755:105623 744.4909:56993 745.49426:16374 45.06656:22 144.95158:66 150.16776:21 152.98013:5 152.99403:183 158.96541:25 171.00967:34 255.23196:2252 255.33098:33 255.41933:14 255.45789:21 255.48561:18 255.90001:24 255.93263:11 256.23264:27 256.97903:14 276.89871:31 277.01947:12 277.21683:973 278.01532:17 278.21738:56 315.22873:19 413.20737:135 465.2626:76 483.26935:62 487.17896:37 487.24249:123 487.51736:12 505.25439:62 571.42999:40 587.44116:11 589.45294:17 595.40747:21 684.56921:28 697.31232:27 719.91174:5 738.45605:10 738.6394:20 738.72058:13 738.9024:22 739.05615:14 739.49426:26 740.04907:18 740.14154:10 740.33075:13 740.4248:7 740.67871:23 741.38416:5 741.50647:10 742.18408:8 742.26971:29 742.29926:19 742.43829:8 742.62665:46 742.86487:36 742.92798:24 743.06934:17 743.12653:36 743.21051:22 743.27313:190 743.32983:498 743.48657:67857 964771 1001431 1046972 0 0 0 0 725652 729072 724571 721485 719756 733680 722645 0 635990 691731 594686 794432 868014 769678 1053145 1064277 1151549 0 0 640802.125 810708.083333333 1089656.79166667 1004391.0625 725265.910714286 0 0 48701.1614177475 51148.8031118113 53888.4379949582 41180.1404836118 4785.92114534385 765 7.888 743.61713 w/o MS2:SE 24:1;O4/23:0;1O [M-H]- 0.792 True 12.85 743.61951 C47H84O6 DCAE MLKPNWFOLTVTQX-UHFFFAOYSA-N O=C(O)CCC(C)C1CCC2C3CCC4CC(OC(=O)CCCCCCCC(O)CCCCCCCCCCCCCC)CCC4(C)C3CC(O)C12C 530 True True False False False null null 98.7 99.9 null null null 1040.88 B. cold 2 743.61713:80302 744.62048:40140 745.62384:7821 34.96891:18 61.98833:29075 62.06338:82 62.07693:57 62.10667:32 62.11776:40 62.13003:14 62.15013:24 62.16408:16 62.19132:22 62.21575:33 62.22821:21 62.25947:11 62.27855:36 62.29145:25 62.32788:31 62.374:21 62.3905:11 62.46139:6 62.61168:7 62.661:23 242.42171:9 268.22778:21 303.23331:31 304.23297:46 313.02884:27 371.50018:46 437.38544:8 438.33264:20 439.23016:11 457.21945:22 564.0365:21 681.53247:15 681.61438:106 681.88666:19 682.43372:12 682.62439:160 683.52985:42 683.62854:1003 684.5741:6 697.3761:33 743.46484:36 743.51288:29 743.54913:60 743.61462:361 184235 196450 223523 727 0 0 0 466590 471330 456325 485208 482658 498678 480801 2174 804998 822980 698403 766111 853314 746918 236512 178651 213896 967.165059407552 0 775460.333333333 788781.083333333 209686.375 201403.015625 477370.107142857 1106.86656810458 0 67336.6034620546 56705.354330843 29159.4942014304 20106.6914691344 13849.2832715992 766 8.783 743.6521 w/o MS2:RIKEN N-VS1 ID-5090 from Mouse_Feces_WT_N_Ctr [M-H]- ion correlated with 948 0.5 False 7.66 743.65259 Unknown 530 True True False False False null null 99.9 100 null null null 152.36 B. room temp 3 743.6521:10078 744.65545:5909 745.65881:1519 33036 23001 24576 864 0 0 0 70055 68573 69863 60453 67389 53637 57007 258 50102 38213 79868 48173 70346 51335 25612 26882 31564 374.055084228516 0 56060.9856770833 56618.1015625 28019.3170572917 26870.8626302083 63853.8861607143 443.748038271337 0 21457.4509346587 11993.7748279569 3134.89849974506 5397.35592327276 6734.98281902393 767 3.141 744.41876 w/o MS2:PS O-15:4_20:5 [M-H]- ion correlated with 754; ion correlated with 615 0.542 True 6.96 744.42462 C41H64NO9P EtherPS OABTVVNQUHHMEP-UHFFFAOYSA-N O=C(OC(COCCC=CCC=CCC=CCC=CCC)COP(=O)(O)OCC(N)C(=O)O)CCCC=CCC=CCC=CCC=CCC=CCC 530 True True False False False null null 92.5 99.9 null null null 187.19 P. room temp 3 744.41876:19270 745.42211:8799 746.42547:2186 34.96898:40 59.0122:36 61.9881:8946 62.02842:42 62.04922:24 62.06888:13 62.11513:9 62.13968:17 62.16421:35 62.18013:25 62.28958:13 62.47449:8 62.57911:10 62.63915:21 96.96901:39 111.04586:18 126.06555:40 147.1147:28 163.07405:44 163.11961:14 189.07681:33 190.09239:39 191.10632:26 209.10722:56 255.23151:55 257.24377:10 258.24774:39 281.2482:41 461.09897:40 462.08636:7 492.32901:22 575.41687:28 681.40076:5 684.37158:23 684.42773:73 744.40588:21 744.44025:48 123012 128641 139233 0 0 0 0 54637 59018 58742 61109 61991 59454 61686 0 642 0 299 3758 3003 3731 158838 117304 164621 0 0 313.748911539714 3497.34969075521 146921.145833333 130295.385416667 59519.5362723214 0 0 321.28187678992 427.997424060706 25811.4663256367 8235.72750718424 2517.33476710789 768 5.066 744.4693 w/o MS2:HexCer 16:3;3O/20:5;(2OH) [M-H]- 0.083 False 7.16 744.46918 C42H67NO10 HexCer_AP WROXXSZVFREVCT-UHFFFAOYSA-N O=C(NC(COC1OC(CO)C(O)C(O)C1O)C(O)C(O)C=CCCC=CCCC=CCC)C(O)CCC=CCC=CCC=CCC=CCC=CCC 530 True True False False False null null 100 100 null null null 206.83 B. room temp 2 744.4693:13649 745.47265:0 746.47601:0 1843 1463 1405 1033 0 0 0 9136 9301 6852 6696 3524 4036 4547 0 200923 195943 122460 141184 157014 16498 2783 2105 1192 344.31494140625 0 173108.643229167 104898.764973958 2026.78548177083 1570.27217610677 6298.79820033482 596.370972320726 0 43933.5979151885 76965.630748697 798.275905595584 237.88327207719 2359.89067366861 770 1.873 745.38367 w/o MS2:PI 8:0_16:0;3O [M-H]- 0.125 True 6.52 745.37811 C33H63O16P OxPI AHOFOQPQERPCMX-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCC(OO)CCCCCCCCO)COP(=O)(O)OC1C(O)C(O)C(O)C(O)C1O)CCCCCCC 530 True True False False False null null 93.3 99.9 null null null 262.23 P. room temp 1 745.38367:13629 746.38702:6055 747.39038:2290 57.03541:36 78.98502:38 135.03061:43 164.98544:82 167.00662:32 192.98631:56 223.02902:31 224.98782:29 225.00569:84 374.0217:13 397.08777:28 537.27197:44 692.43872:54 740.94153:7 743.45026:14 743.63403:8 744.9538:27 745.07642:13 745.18781:37 745.383:8767 745.51556:43 745.633:45 745.69904:29 745.76892:24 745.82434:22 95143 97564 101906 0 0 0 0 30521 32993 36253 32462 31152 32631 33898 0 2377 2233 2241 3715 3229 340 109303 1815 108472 0 0 2283.76611328125 2427.98536173503 73196.6845703125 98204.4088541667 32844.2784598214 0 0 80.7721744670682 1824.89773321095 61819.6691674108 3426.7022921134 1879.98579605596 771 1.951 745.38403 w/o MS2:PI 8:0_16:0;3O [M-H]- ion correlated with 1038; ion correlated with 980; ion correlated with 798 0.417 True 6.52 745.37811 C33H63O16P OxPI AHOFOQPQERPCMX-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCC(OO)CCCCCCCCO)COP(=O)(O)OC1C(O)C(O)C(O)C(O)C1O)CCCCCCC 530 True True False False False null null 92.4 99.9 null null null 114.24 P. cold 1 745.38403:12092 746.38738:4675 747.39074:1950 159.45256:7 189.09071:46 216.95612:11 347.22113:30 391.29105:15 432.30557:21 441.29752:24 447.26886:20 453.25961:36 492.17474:32 493.34781:14 619.51593:17 625.35223:28 736.40637:27 740.40601:12 741.02661:5 744.92517:15 745.19812:95 745.23962:72 745.38373:7563 745.53979:33 745.57532:39 745.64294:48 745.75616:38 745.81207:11 745.87787:26 95143 97564 101906 0 0 0 0 30521 32993 36253 32462 31152 32631 33440 0 2377 2233 2241 3715 3229 3405 109303 75687 108472 0 0 2283.76611328125 3449.71337890625 97820.6614583333 98204.4114583333 32778.8889508929 0 0 80.7721744670682 246.115713866156 19172.8053642581 3426.69880251925 1844.86515630668 772 5.095 745.50342 PG 34:2|PG 16:0_18:2 [M-H]- similar chromatogram in higher mz_1264; found in higher mz's MsMs_1264 0.792 True 8.39 745.5025 C40H75O10P PG ATBOMIWRCZXYSZ-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCCC=CCC=CCCCCC)COP(=O)(O)OCC(O)CO)CCCCCCCCCCCCCCC 410 True True True False False null null 100 99.9 52.7 45.6 100 3891.72 QC-3 745.50299:187745 746.50634:111746 747.5097:24994 70.26697:42 78.95779:121 80.91007:18 134.98222:34 146.30235:31 152.99646:300 165.8259:34 171.00519:123 227.03177:78 243.2317:8 245.04056:20 255.17834:95 255.23267:4187 255.3204:46 255.34738:20 255.38132:16 255.45863:30 255.48071:13 255.52502:27 255.5426:35 255.83432:19 255.91719:10 256.22882:15 259.0166:14 276.84766:30 279.15796:15 279.23242:1473 279.31964:5 279.43314:25 280.22125:10 304.23376:16 318.56686:29 333.69983:16 346.53632:23 366.92599:19 385.17801:41 391.22739:55 391.2951:17 415.18649:30 415.22342:294 415.46112:18 439.22433:23 445.26257:9 461.36642:29 465.25632:52 466.18845:8 466.26672:14 483.27505:24 487.16904:12 489.26007:224 491.35226:16 505.38257:27 507.27374:88 521.39801:21 546.15247:17 591.43591:11 704.79797:14 705.88995:25 719.50562:42 724.37061:43 740.61469:36 740.64294:29 740.68994:41 740.7558:53 740.79773:22 740.84979:27 740.92627:28 741.0285:29 741.07672:21 741.12689:41 741.25427:15 741.30133:19 741.38354:10 741.41528:46 741.4801:9 741.56476:9 741.80005:13 742.41193:10 742.60962:15 742.7038:33 742.93927:18 743.09937:9 743.23114:23 743.57416:45 743.94739:5 744.03217:30 744.19269:34 744.29437:15 744.4375:17 744.50354:22 744.6261:19 744.79584:40 744.87128:20 744.93811:31 744.99017:28 745.07874:16 745.15723:94 745.24603:106 745.28668:338 745.50275:134606 1931652 1886096 1895991 0 0 0 0 1427187 1369539 1361109 1376481 1396259 1415156 1388167 0 767754 847624 816978 981523 1026672 971258 2041545 2107952 2132080 0 0 810785.1875 993151.104166667 2093859.125 1904579.625 1390556.75 0 0 40293.0937630271 29480.0727709979 46884.0600965896 23961.641640534 24125.3740230074 773 8.37 745.63269 Unknown [M-H]- 0.792 True null null null null null null 999 False False False False False null null null null null null null 1056.91 P. cold 3 745.63318:64162 746.63653:34483 747.63989:7843 45.99306:122 61.82954:18 61.97059:55 61.98825:23761 62.05019:32 62.08068:39 62.09065:33 62.11244:12 62.12587:17 62.14117:11 62.16373:11 62.18059:32 62.20819:42 62.21645:52 62.23308:8 62.24867:11 62.26457:7 62.27594:12 62.28412:10 62.33321:35 62.36323:31 62.3796:24 62.3987:5 62.42854:6 62.43556:10 62.47789:24 62.50793:22 62.98693:21 63.45125:10 152.85191:29 261.73734:21 330.78418:53 383.35562:28 386.30328:29 461.09146:27 589.57971:36 680.96777:5 683.64252:119 684.51575:23 684.64301:153 685.43854:36 685.54712:34 685.604:94 685.64386:797 685.91809:31 686.03577:32 686.23486:10 686.48822:8 686.60608:18 689.52466:8 690.6698:11 699.38629:35 745.47473:17 745.54071:51 745.633:326 745.82123:18 731772 675576 699194 22197 4708 4337 2615 544851 547181 548653 520318 540142 499072 515663 8579 381405 368077 328651 300600 410291 339026 653836 615416 696354 11828.0543619792 3475.751953125 359377.6875 349972.625 655202.229166667 702180.916666667 530840.075892857 9186.33562814523 1217.94516481811 27431.7889290446 55658.6986391534 40485.9692749255 28216.7790043479 19224.325127556 774 7.729 746.60693 w/o MS2:PE O-9:0_28:0 [M-H]- ion correlated with 987; similar chromatogram in higher mz_828; similar chromatogram in higher mz_987 0.25 False 13.03 746.60687 C42H86NO7P EtherPE UDCQQLNJURUIRG-UHFFFAOYSA-N O=C(OC(COCCCCCCCCC)COP(=O)(O)OCCN)CCCCCCCCCCCCCCCCCCCCCCCCCCC 530 True True False False False null null 100 99.9 null null null 177.05 B. cold 2 746.60693:12506 747.61028:9249 748.61364:6646 6127 7760 9116 0 0 0 0 19643 19466 20851 20449 20165 21518 22952 0 48303 49608 31999 88980 89952 71110 11916 11552 12867 0 0 43303.4459635417 83347.4036458333 12111.6930338542 7667.66585286458 20720.4107142857 0 0 9811.59685535043 10608.7441142311 679.004140795141 1496.53734670562 1207.50073333555 775 8.762 746.64276 w/o MS2:RIKEN N-VS1 ID-5128 from Mouse_Feces_WT_N_Ctr [M-H2O-H]- adduct linked to 917_[M+Hac-H]- 0.792 False 13.31 746.64398 Unknown 530 True True False False False null null 99.3 99.9 null null null 131.3 P. cold 1 746.64276:11210 747.64611:6703 748.64947:4521 97323 72777 82051 6136 274 320 266 56623 54455 53665 55164 55976 48980 49951 0 33164 29289 30071 27956 42082 28308 70940 62935 80102 2136.5391031901 293.082626342773 30841.3606770833 32781.8190104167 71325.61328125 84050.28125 53544.69140625 3466.16462047329 38.1218123398113 2049.11055799006 8055.69022679309 8589.61031660864 12394.6809271439 2960.98406305633 776 5.569 747.51886 PG 34:1|PG 16:0_18:1 [M-H]- similar chromatogram in higher mz_1287 0.792 True 8.76 747.51819 C40H77O10P PG PAZGBAOHGQRCBP-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCCC=CCCCCCCCC)COP(=O)(O)OCC(O)CO)CCCCCCCCCCCCCCC 410 True True True False False null null 100 99.9 53.1 46.4 100 947.62 QC-5 747.51941:41749 748.52276:25977 749.52612:5781 152.99683:96 153.58395:50 255.233:886 255.31419:8 255.74503:11 281.24759:312 283.84042:5 350.29269:31 374.28897:48 417.2388:42 465.25848:14 483.26965:13 491.28317:42 509.30838:44 725.69867:28 743.27539:11 743.48309:7 744.04852:8 745.60449:7 745.96307:22 746.76556:15 746.91663:25 746.99176:16 747.13385:26 747.16217:21 747.31091:119 747.51874:26729 747.77362:46 747.86505:72 747.93439:21 557436 539533 571445 0 0 0 0 296798 309223 309899 297433 292413 304218 302308 0 165038 189134 156812 172065 178935 151713 494152 515554 575366 0 0 170328.135416667 167570.859375 528357.635416667 556137.8125 301755.928571429 0 0 16797.9293935801 14156.4278014841 42093.5439699664 15995.5048909012 6570.10079444187 777 9.06 747.60712 w/o MS2:PE-Cer 12:0;2O/27:0;O [M-H]- 0.125 False 10.99 747.60217 C41H85N2O7P PE_Cer JFTILTNDZBOSQV-UHFFFAOYSA-N O=C(NC(COP(=O)(O)OCCN)C(O)CCCCCCCCC)CC(O)CCCCCCCCCCCCCCCCCCCCCCCC 530 True True False False False null null 88.5 100 null null null 90.56 P. room temp 3 747.60712:4926 748.61047:2440 749.61383:791 69788 65750 76800 0 0 8 0 30279 10567 31521 26783 15096 31102 32823 314 31670 22757 26599 32194 41250 21638 76104 52608 80825 104.770884195964 3.97454690933228 27008.7669270833 31693.88671875 69845.7916666667 70779.3776041667 25453.2247488839 181.468494581324 5.62085814346577 4470.75117622199 9815.36868898026 15113.5704121349 5591.75209052716 8915.83311723769 778 9.801 747.60925 w/o MS2:PE-Cer 12:0;2O/27:0;O [M-H]- 0.792 True 10.99 747.60217 C41H85N2O7P PE_Cer JFTILTNDZBOSQV-UHFFFAOYSA-N O=C(NC(COP(=O)(O)OCCN)C(O)CCCCCCCCC)CC(O)CCCCCCCCCCCCCCCCCCCCCCCC 530 True True False False False null null 89.4 100 null null null 1598.76 P. cold 3 747.60925:127211 748.6126:89904 749.61596:32265 136.05597:23 149.03558:51 149.06265:53 158.97417:17 176.07092:24 187.07674:19 201.03375:11 201.27393:7 201.64427:6 202.09885:2861 202.14188:24 202.21132:28 202.2408:10 202.26707:5 202.30457:21 202.41544:13 202.72758:12 202.81123:13 203.08197:21 203.10207:128 270.16119:25 291.41895:40 327.30405:14 332.30576:35 338.22128:39 340.94022:17 386.15442:45 391.28445:61 392.14606:16 418.87683:21 419.24399:40 422.98798:13 430.14597:9 507.383:14 600.90796:5 653.53888:44 654.54681:5 663.17688:42 679.51605:39 679.54303:64 687.5744:34 732.59143:47 734.17664:6 742.65759:22 742.87933:35 742.96625:12 743.1167:11 743.53125:14 743.71967:6 743.96637:17 744.54919:23 744.85107:27 745.89471:26 746.14508:50 746.24725:24 746.5116:45 746.63434:17 746.75238:15 746.82318:18 747.07819:41 747.17828:38 747.22192:47 747.33319:30 747.60876:71543 1071439 1106937 1225293 0 0 0 0 369795 352222 353474 346558 352914 350027 332700 0 726767 737903 374787 842652 845226 724432 1153580 985113 1189036 0 0 613152.25 804103.104166667 1109243 1134556.04166667 351098.433035714 0 0 206505.775188906 69009.4693622938 108951.417999105 80559.8653114887 10954.5997081038 779 2.319 749.41156 Unknown [M+FA-H]- ion correlated with 983; ion correlated with 1040; ion correlated with 665; adduct linked to 665_[M-H]- 0.25 False null null null null null null 999 False False False False False null null null null null null null 196.99 P. room temp 3 749.41156:10759 750.41491:4441 751.41827:1533 75708 77157 90502 0 0 0 0 18283 15655 14666 14371 15477 14284 14633 0 0 0 0 0 0 0 94180 89003 96746 0 0 0 0 93309.5572916667 81122.0104166667 15338.5647321429 0 0 0 0 3944.37809208049 8155.17685481716 1401.70822196703 780 9.21 749.62335 Unknown [M-H]- ion correlated with 884; adduct linked to 884_[M+Hac-H]- 0.25 False null null null null null null 999 False False False False False null null null null null null null 150.88 B. cold 2 749.62335:10582 750.6267:8080 751.63006:2146 13352 12789 17601 0 0 0 0 13768 15083 15305 13462 15220 14672 14371 0 50517 57719 34197 57818 78948 66168 16331 6959 17873 0 0 47477.6158854167 67644.875 13721.3111979167 14580.5416666667 14554.2608816964 0 0 12051.7676352669 10642.2976360284 5906.47967727243 2631.06358325624 723.937027716289 781 2.693 751.4281 w/o MS2:PA 15:4_26:7 [M+FA-H]- adduct linked to 807_[M+Hac-H]-; adduct linked to 668_[M-H]- 0.542 True 7.75 751.43439 C44H65O8P PA RJPZPGMJEJMTJV-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCC=CCC=CCC=CCC=CCC=CCC=CCC=CCC)COP(=O)(O)O)CC=CCC=CCC=CCC=CCC 530 True True False False False null null 91.6 99.9 null null null 219.06 P. room temp 3 751.4281:27188 752.43145:13922 753.43481:3359 44.72682:44 44.99816:236 69.03537:101 95.05242:7 109.05603:46 109.06654:36 111.046:43 125.3871:25 163.11365:100 179.05743:55 189.03841:27 189.09149:680 189.32712:9 190.0947:22 207.06239:45 207.1021:845 207.28912:51 207.39853:8 235.0825:26 253.09087:94 279.20065:29 279.23215:984 279.81589:8 318.31921:35 392.2623:51 425.17892:19 443.19424:116 515.3233:125 687.41083:40 700.8537:8 701.70837:13 702.02875:12 704.88818:16 705.02576:36 705.20929:56 705.24548:34 705.42181:13304 705.52747:54 705.58069:40 705.63013:20 705.68628:41 705.70947:36 705.77295:52 705.82404:33 705.88074:23 706.01764:46 706.04907:38 706.17004:29 706.19183:22 706.28418:16 706.35504:8 706.39008:77 706.42175:245 706.44934:47 706.51074:17 706.56799:29 706.66907:31 706.69684:41 706.78845:8 706.84705:18 707.11005:18 707.16516:23 707.24097:8 707.3811:7 707.62506:14 707.88208:8 708.4798:6 709.90607:11 711.39233:5 712.0365:20 719.41132:26 731.31403:16 751.21106:17 751.32196:45 751.42804:1965 751.4917:14 751.72211:23 751.83496:9 751.90833:18 154669 162853 172278 0 0 0 0 45657 41715 38599 41266 35805 35201 36497 0 649 0 260 278 1042 1413 196523 191539 212500 0 0 303.137481689453 911.292826334635 200187.296875 163266.947916667 39248.5853794643 0 0 326.827847632403 578.547478477798 10950.1375446533 8811.85896912681 3817.74663308053 782 8.542 752.67889 Cer 44:1;3O|Cer 19:1;3O/25:0 [M+CH3COO]- adduct linked to 639_[M-H]-; adduct linked to 1248_[2M-H]- 0.542 True 13.21 752.67743 C44H87NO4 Cer_NP ABAYNCLHMKYUGG-UHFFFAOYSA-N O=C(NC(CO)C(O)C(O)CCCC=CCCCCCCCCCC)CCCCCCCCCCCCCCCCCCCCCCCC 410 True True True False False null null 100 99.9 73.4 41.1 100 3314.94 QC-6 752.67816:104619 753.68151:61489 754.68487:15490 58.02898:56 59.01382:236 68.0894:19 99.28607:20 159.11452:6 193.35435:17 225.2178:38 237.22522:12 255.23512:189 267.05222:31 267.16696:33 267.21036:74 267.23383:843 267.32333:13 267.48184:10 277.21555:21 279.23361:74 280.26749:10 284.26111:47 299.96613:20 314.44955:24 316.27924:52 329.71912:52 375.35995:29 377.37103:30 392.35266:68 392.38962:190 393.37314:717 393.62674:10 406.40363:74 418.4039:132 430.41306:13 434.23352:48 434.39874:236 435.60989:14 436.35321:28 436.41537:992 436.52631:9 436.65649:12 436.77231:12 437.41473:72 438.20282:5 448.21918:27 448.32214:46 448.41629:1155 448.49777:20 448.8125:24 448.88467:7 449.03214:15 449.0614:16 449.28842:10 454.20422:17 644.64178:16 645.12207:9 648.6474:13 656.58417:86 656.63519:338 657.64459:20 660.57239:43 660.62573:247 662.58148:10 670.38898:25 674.6424:185 687.92041:5 688.13647:17 688.20007:26 688.24933:9 688.43512:15 688.46741:5 688.55109:12 688.60059:18 688.67126:16 688.78857:20 688.98315:5 689.10107:15 689.18829:15 689.2428:21 690.44989:14 690.59515:7 690.94025:23 691.10376:13 691.16748:10 691.20679:10 691.35809:22 691.49792:16 691.57617:9 691.63812:11 691.99426:11 692.03973:24 692.09424:18 692.13062:26 692.30334:15 692.65765:75500 693.26483:35 693.33673:70 693.39856:40 693.4436:44 693.48584:114 693.54114:56 693.59131:106 693.659:1627 693.72308:122 693.76636:91 693.84576:106 693.87067:48 693.92035:46 693.96344:40 694.02277:42 694.07257:102 694.12292:45 694.17456:62 694.2265:45 694.32129:73 694.36279:39 694.4093:43 694.45166:40 694.62677:29 694.75153:9 694.81421:11 694.88147:10 694.92102:39 694.98804:34 695.11731:18 695.17932:10 695.20667:12 695.26874:36 695.29779:30 695.38892:41 695.45813:17 695.6532:6 695.68964:16 695.73456:9 695.86902:15 695.96765:14 696.00812:10 696.10474:6 696.15448:22 696.21136:19 696.38245:17 696.66516:21 696.79285:12 696.85022:11 697.02087:27 697.08478:14 697.19421:22 697.57751:9 698.08868:16 698.40625:12 698.53583:8 698.63654:8 699.07501:24 700.36969:13 706.51367:21 709.84198:5 719.89374:22 722.30499:9 732.6178:26 734.60736:24 752.58704:12 752.67059:29 11135 12834 14961 762 0 277 0 853194 818873 794552 781497 767893 806390 770126 0 2490563 2161003 1802207 1884607 1536626 1211087 15752 6390 6483 254.099527994792 138.341598510742 2151257.83333333 1544106.66666667 9541.75048828125 12976.6009114583 798932.053571429 440.113292666249 195.644564854265 344281.337715277 336822.563177844 5378.72444154785 1916.79787299242 30315.143038605 783 5.347 753.54187 PS 15:0_18:1(d7) [M-H]- 0.875 True 8.3 753.54181 C39H67D7NO10P PS KVBAVKWITJZQEG-UDKXCJCZNA-N C(O)(=O)[C@@]([H])(N)COP(OC[C@]([H])(OC(CCCCCCC/C=C\CCCCCC([2H])([2H])C([2H])([2H])C([2H])([2H])[2H])=O)COC(CCCCCCCCCCCCCC)=O)(=O)O 430 True True True False False null null 81.3 100 53.5 48.5 87.5 189.66 B. room temp 3 753.54175:14621 754.5451:6126 755.54846:1403 152.98462:10 202.0985:44 241.18269:21 241.21661:116 288.28949:131 377.20877:112 395.2179:35 401.11832:44 424.28271:17 537.48535:19 584.99902:27 607.45831:28 666.42938:45 666.50824:647 666.60779:6 667.39417:10 667.50916:22 693.34058:36 718.3559:6 748.68829:11 749.52576:10 753.29681:13 753.33917:39 753.38226:127 753.54041:6548 753.67413:43 753.7572:24 753.84058:18 753.88184:16 753.93237:18 753.96234:24 754.02087:19 161554 172556 176044 0 0 201841 182069 142049 131646 131552 127832 130373 128535 126195 0 240745 233366 166813 234401 270420 151600 189700 165490 178701 0 191954.78125 213641.515625 218806.78125 177963.682291667 170051.411458333 131168.694196429 0 13981.1583455765 40722.1129395531 60925.2191526192 12121.9125022212 7562.53077307358 5199.30365785452 784 8.075 754.56781 w/o MS2:RIKEN N-VS1 ID-5253 from Mouse_Feces_WT_N_Ctr [M-H]- ion correlated with 961; ion correlated with 530 0.167 False 12.82 754.5661 Unknown 530 True True False False False null null 98.6 99.9 null null null 54.5 P. room temp 1 754.56781:3796 755.57116:3364 756.57452:1153 19176 21698 26434 234 0 0 0 892 2086 2894 1542 2283 2543 776 0 236 0 489 625 0 0 28306 25762 24352 77.9720001220703 0 241.591567993164 208.257466634115 26139.9654947917 22436.1328125 1859.37530517578 135.051465779192 0 244.504992247662 360.712513265867 2003.59853053289 3684.79777959729 814.39109067888 785 8.317 754.65692 w/o MS2:Cer 17:0;3O/26:1;(2OH) [M+FA-H]- ion correlated with 819; ion correlated with 756; ion correlated with 612; adduct linked to 677_[M-H]- 0.542 True 12.93 754.65662 C43H85NO5 Cer_AP CUEHFDMYLZMAKF-UHFFFAOYSA-N O=C(NC(CO)C(O)C(O)CCCCCCCCCCCCC)C(O)CCCCCCCCCCCCC=CCCCCCCCCCC 530 True True False False False null null 77.7 99.9 null null null 427.97 B. room temp 2 754.65692:36520 755.66027:19351 756.66363:4578 72.99441:33 75.00823:259 75.06936:5 168.11639:21 256.23792:19 261.23462:6 267.23334:62 267.33621:6 268.23975:21 408.06131:13 408.38492:19 409.32465:6 409.36633:297 409.50992:17 410.36908:18 410.39847:23 416.38596:8 452.40744:66 462.03006:18 464.40698:39 616.84644:18 675.00305:29 676.62885:34 678.64307:40 694.56122:73 694.63177:460 694.78296:15 695.12573:7 695.63599:68 697.25916:10 703.99084:36 704.20422:9 704.37592:15 705.07306:5 705.98175:27 706.05585:12 707.55267:20 708.02179:36 708.10419:40 708.2074:34 708.35223:13 708.39844:46 708.52563:239 708.65045:22270 708.90564:41 709.01184:61 709.07831:20 709.14337:38 709.18042:22 709.28076:28 709.31958:42 709.35382:25 709.43243:35 709.49493:52 709.59515:84 709.65192:455 709.7583:39 709.78851:64 709.86682:27 709.89832:23 709.99957:25 710.02734:25 710.10089:19 710.15289:25 710.20349:35 710.26709:10 710.34955:26 710.39252:11 710.43243:19 710.48773:54 710.56104:6 710.61688:45 710.72571:18 710.85614:24 710.91199:7 711.08453:13 711.49194:7 711.74084:21 711.79614:12 712.20184:14 714.2597:10 725.25421:11 754.67468:18 1890 2265 2722 0 0 0 0 118092 115620 99074 107513 100098 99645 99646 0 286840 298185 228981 245686 252602 189275 3386 2290 2733 0 0 271335.677083333 229187.489583333 2803.32405598958 2292.24462890625 105669.606026786 0 0 37115.8865111442 34738.1514537885 551.325429893109 416.742284784387 8204.09581470365 786 8.11 754.65729 Cer 43:1;4O|Cer 18:0;3O/25:1;(2OH) [M+CH3COO]- ion correlated with 749; adduct linked to 641_[M-H]- 0.792 True 12.93 754.65662 C43H85NO5 Cer_AP CWRZMEPEKPUPFD-UHFFFAOYSA-N O=C(NC(CO)C(O)C(O)CCCCCCCCCCCCCC)C(O)CCCCCCCCCCCC=CCCCCCCCCCC 410 True True True False False null null 100 99.9 97.9 72.7 100 909.24 QC-6 754.65747:43882 755.66082:28724 756.66418:5358 71.013:33 87.00693:79 88.00309:25 89.02494:222 89.13411:24 98.93959:64 158.9744:117 255.23178:49 263.23166:54 276.21494:18 280.27087:30 322.63248:13 349.34952:48 395.30011:29 395.34827:35 450.39529:76 496.31158:13 610.5957:14 658.29156:58 669.55438:26 669.6272:26 676.61853:46 682.89734:13 690.31323:16 690.40405:10 690.513:7 690.65826:11 690.83929:6 691.67426:5 692.14838:9 693.23059:10 693.4754:21 694.30243:22 694.39563:35 694.63593:33505 694.94122:55 694.96838:58 695.01013:78 695.07098:26 695.16058:91 695.24017:58 695.36633:52 695.44543:40 695.56323:63 695.63818:731 695.77246:30 695.85303:34 695.88123:32 695.91937:35 695.98071:39 696.00665:28 696.05383:25 696.12366:20 696.16699:10 696.2088:10 696.26349:20 696.33636:13 696.3634:7 696.42279:30 696.61902:22 696.68616:15 696.80328:17 696.87451:20 697.11169:14 697.35303:26 697.59534:18 697.66833:13 697.71619:21 697.86914:11 697.9787:9 698.43066:8 698.52655:13 698.76398:16 701.51605:7 706.92621:15 708.58087:39 708.64612:46 709.31689:9 737.59753:20 754.46399:58 754.53894:36 754.61096:69 754.65674:278 754.8429:9 755.12738:15 61687 68789 84737 0 0 0 0 383114 342527 334729 319364 316888 326103 322109 0 802701 776856 570088 644227 678574 538299 98524 71986 83238 0 0 716548.354166667 620366.666666667 84582.6588541667 71737.5533854167 334976.15625 0 0 127494.688632084 73117.8960813334 13319.7009350819 11804.6995325302 23056.0857002524 787 8.971 754.68848 Cer 44:0;3O|Cer 18:0;3O/26:0 [M+CH3COO]- adduct linked to 751_[M+FA-H]-; similar chromatogram in higher mz_975; adduct linked to 642_[M-H]- 0.792 True 13.39 754.69299 C44H89NO4 Cer_NP GKRXVCWVXYHWOD-UHFFFAOYSA-N O=C(NC(CO)C(O)C(O)CCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCCCCCCCCC 410 True True True False False null null 100 99.9 58.2 51.1 100 848.53 P. cold 1 754.69373:17510 755.69708:11014 756.70044:2791 59.01361:62 158.97414:22 267.23306:68 279.18912:14 325.1698:56 363.29425:22 391.22281:58 394.4017:85 395.38751:45 409.22946:44 410.1972:14 436.41788:77 438.43082:166 439.12759:8 450.38104:27 450.43246:119 450.48285:12 616.66455:7 646.66425:5 662.63409:24 663.02692:5 672.48132:118 676.6546:69 690.07733:14 690.27734:9 690.55847:10 691.16693:10 691.54926:9 691.75763:20 693.51276:21 694.04974:31 694.26068:22 694.51025:97 694.60114:351 694.67133:6856 694.79016:26 694.85559:20 694.9231:33 694.96094:36 695.01544:36 695.11523:37 695.17847:16 695.27924:37 695.32477:8 695.38184:25 695.50739:23 695.56171:63 695.67499:170 695.7713:12 695.8078:8 695.8609:10 695.92627:18 695.99622:10 696.32288:21 696.45508:23 696.55157:23 697.44952:8 708.13031:12 708.6366:24 754.42535:12 754.48462:81 755.15601:11 125909 106362 100741 1291 330 593 824 458854 468249 476669 416572 436695 338791 366570 0 345136 243947 567735 307003 406908 291909 103138 81709 115860 540.505513509115 708.382629394531 385606.338541667 335273.166666667 100235.442708333 111004.088541667 423200.053571429 670.827145235486 163.792930400875 165644.346926731 62494.6683634512 17259.4333193535 13210.5284098961 52784.9949080106 788 8.535 755.65552 w/o MS2:SE 24:1;O4/25:0 [M-H]- 0.542 True 13.99 755.65588 C49H88O5 DCAE IKEKXMHQFJSGDN-UHFFFAOYSA-N O=C(O)CCC(C)C1CCC2C3CCC4CC(OC(=O)CCCCCCCCCCCCCCCCCCCCCCCC)CCC4(C)C3CC(O)C12C 530 True True False False False null null 100 99.9 null null null 416.94 B. room temp 1 755.65552:43083 756.65887:31273 757.66223:9503 44.51375:29 45.98917:35 58.02983:60 59.0123:21 61.98821:19311 62.02626:77 62.04721:26 62.06354:28 62.08186:55 62.09621:34 62.11545:25 62.15068:36 62.15853:16 62.17793:18 62.19168:14 62.25151:24 62.26216:16 62.2815:19 62.29439:17 62.3046:14 62.34425:21 62.35516:34 62.43158:10 62.44526:13 62.68328:13 62.96238:20 62.98431:37 88.00576:48 152.99352:36 158.97902:24 255.23251:31 284.2619:57 350.88959:8 394.36749:41 395.37708:98 435.40201:31 436.4136:20 437.41641:27 438.42062:48 439.42661:21 449.41595:22 451.42365:52 662.64514:10 663.63287:46 682.63379:30 691.63202:6 692.65991:31 693.52411:27 693.55139:51 693.59692:10 693.65588:163 693.76044:9 694.53455:30 694.66107:420 695.20416:23 695.42731:12 695.48193:29 695.50989:38 695.66589:2876 695.76447:14 695.80261:12 695.84674:47 695.87384:45 696.01062:16 696.0744:9 696.12872:19 696.21118:9 696.23218:10 696.28412:23 696.65179:258 696.72687:31 696.82214:26 696.88617:11 696.93164:14 697.08667:13 697.16882:9 697.52161:20 709.61359:99 709.65039:78 714.63007:6 755.50037:6 755.64899:56 1468 4340 1811 1046 275 258 272 117814 113038 115849 126343 123071 141330 134459 1576 366631 343931 274640 315017 262326 212160 5466 740 3583 965.803751627604 264.906509399414 328400.520833333 263167.671875 3262.68483479818 2539.8466796875 124557.669642857 654.205913244707 9.43120501172979 47921.6784229985 51433.3160229339 2379.19082102354 1568.45909016982 10317.9736585826 789 7.722 756.63409 w/o MS2:HexCer 16:0;2O/22:0 [M+FA-H]- adduct linked to 682_[M-H]- 0.042 False 12.03 756.63593 C44H87NO8 HexCer_NDS IEIZRNUVIRICQB-UHFFFAOYSA-N O=C(NC(COC1OC(CO)C(O)C(O)C1O)C(O)CCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCCCCC 530 True True False False False null null 98.3 99.9 null null null 84.71 B. cold 1 756.63409:4236 757.63744:2667 758.6408:754 4225 4081 5450 0 0 0 0 12829 11926 10738 10692 9890 9199 9181 0 22481 24230 17554 35082 32617 25014 6617 5289 6378 0 0 21421.5279947917 30904.58203125 6094.52278645833 4585.41040039063 10636.4267578125 0 0 3461.96447463975 5247.98734764901 707.411701751025 752.454352105329 1367.85616861285 790 8.755 756.66248 Unknown [M+FA-H]- ion correlated with 824; adduct linked to 684_[M-H]- 0.625 False null null null null null null 999 False False False False False null null null null null null null 276 QC-1 756.66248:17466 757.66583:11040 758.66919:2124 134892 109718 113482 3899 0 319 0 128426 129427 123338 105019 108405 83234 91105 257 65097 53285 64236 46348 64155 44590 109208 79039 119787 1385.20251464844 159.443786621094 60872.7369791667 51697.7760416667 102677.8359375 119363.861979167 109850.3671875 2180.71827506578 225.487565475673 6585.07832867673 10823.9356810733 21144.4465974947 13578.7277861793 18236.7380138049 791 8.57 756.67206 Cer 43:0;4O|Cer 18:0;3O/25:0;(2OH) [M+CH3COO]- ion correlated with 759; adduct linked to 650_[M-H]- 0.542 True 13.22 756.6723 C43H87NO5 Cer_AP YADUGDLSXPPFIP-UHFFFAOYSA-N O=C(NC(CO)C(O)C(O)CCCCCCCCCCCCCC)C(O)CCCCCCCCCCCCCCCCCCCCCCC 410 True True True False False null null 100 99.9 92.9 74.8 100 609.56 QC-7 756.67175:25899 757.6751:14903 758.67846:3210 61.98764:1967 62.00487:22 62.04499:8 62.98539:30 87.00956:88 88.00602:38 88.04079:15 88.9868:11 89.02355:837 140.03358:9 152.56065:29 156.02432:18 255.23032:60 268.26486:22 316.28085:13 351.35873:42 359.29871:21 396.37668:33 397.36533:70 404.38312:19 422.39551:28 423.16724:44 440.40143:28 452.40753:70 473.38922:40 577.65485:14 660.62115:13 667.63806:24 674.47675:29 678.62976:51 692.19849:21 692.50763:24 692.77899:11 694.50043:47 695.28381:10 695.41547:12 695.64832:43 696.44275:54 696.48712:130 696.64502:16501 696.73566:146 696.78113:73 696.86523:87 696.93457:70 696.98474:54 697.06781:33 697.11823:48 697.17633:44 697.30499:52 697.37616:73 697.41296:50 697.48071:72 697.51373:36 697.54535:34 697.64813:578 697.74817:17 697.79169:23 697.81934:27 697.91925:20 697.98206:21 698.01294:20 698.12946:26 698.26642:8 698.30292:6 698.37598:22 698.45813:9 698.54034:8 698.65967:17 698.72015:20 699.23462:17 700.20349:7 702.98584:16 710.56818:23 737.17053:37 756.62402:42 285329 242983 268415 4919 235 256 0 277748 184086 239804 197374 214773 182498 184788 304 164850 142244 125042 109057 136320 113381 234856 202828 257322 1819.28156026204 127.965972900391 144045.330729167 119586.013020833 231668.557291667 265575.765625 211581.497767857 2684.83974867913 180.971214398 19965.2918821843 14652.5667713556 27386.7269254389 21315.7887730626 35838.2031766343 792 4.754 757.48126 w/o MS2:PA 13:1_28:7 [M-H]- 0.125 False 8.79 757.48138 C44H71O8P PA XMDWPDXPVIDTSR-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCC=CCC=CCC=CCC=CCC=CCC=CCC=CCC)COP(=O)(O)O)CCCCCCCC=CCCC 530 True True False False False null null 100 99.9 null null null 79.91 P. cold 2 757.48126:5405 758.48461:3485 759.48797:902 40926 40558 38509 0 0 0 0 14230 12875 13545 11413 11619 13307 13625 0 2181 1337 1437 5121 3687 3214 9569 7536 13344 0 0 1651.47843424479 4007.36710611979 10149.7778320313 39997.6028645833 12944.8514229911 0 0 461.093147479166 993.100555366065 2947.1879936575 1302.10037645161 1057.98462345404 793 8.104 757.63226 w/o MS2:SE 24:1;O4/24:0;1O [M-H]- ion correlated with 721 0.792 True 13.41 757.63519 C48H86O6 DCAE GJQAQCMQPBGBLZ-UHFFFAOYSA-N O=C(O)CCC(C)C1CCC2C3CCC4CC(OC(=O)CCCCCCCC(O)CCCCCCCCCCCCCCC)CCC4(C)C3CC(O)C12C 530 True True False False False null null 98.1 99.9 null null null 524.8 B. cold 2 757.63226:44998 758.63561:18240 759.63897:3686 61.84745:5 61.98834:17234 62.02689:70 62.03728:27 62.05784:22 62.0854:40 62.09894:32 62.13581:9 62.15859:22 62.17765:14 62.18983:7 62.23129:22 62.24579:7 62.25989:28 62.33034:6 62.37937:8 62.71832:6 317.50281:7 397.36325:43 665.62915:42 693.05713:48 694.03107:16 695.65216:19 696.61121:47 696.64368:129 697.1748:65 697.38037:67 697.53174:21 697.58557:30 697.64545:708 697.76813:8 697.85028:8 697.91425:17 698.11499:18 698.37982:38 699.41205:18 712.1167:35 728.39783:9 757.62866:248 757.85229:8 758.12164:8 64829 69344 88112 905 0 0 267 218149 256222 248469 268833 254070 273957 277796 986 438584 443641 377483 419381 487632 413061 99022 74121 81266 630.410400390625 133.479751586914 419902.416666667 440024.458333333 84802.7265625 74094.8151041667 256785.066964286 547.460535440886 188.768874996406 36823.4802163839 41349.941885638 12822.0720146774 12347.0403203564 20211.5795637 794 8.972 757.66895 Unknown [M-H]- 0.792 False null null null null null null 999 False False False False False null null null null null null null 168.65 QC-3 757.66895:11958 758.6723:6730 759.67566:1556 55492 49131 51165 2152 525 528 1803 79815 85893 88708 82063 85124 70983 78924 909 51613 35448 87924 49599 64908 49270 49414 38837 53389 1195.34275309245 1165.38870239258 58328.2213541667 54592.4153645833 47213.17578125 51929.2565104167 81644.4587053571 850.437939810112 901.240349827267 26874.5262422545 8935.46168618402 7521.35917030037 3248.7949764092 5840.20587873129 795 7.485 759.61139 Unknown [M-H]- ion correlated with 649 0.75 True null null null null null null 999 True False False False True null null null null null null null 156.66 B. cold 2 759.61139:29691 760.61474:16068 761.6181:3161 45.00229:10 59.01422:28 61.98829:4224 62.04405:22 62.05872:9 62.0717:13 62.10417:12 62.21585:6 62.28685:13 62.3141:12 62.42121:7 62.45056:16 62.4806:20 112.9847:74 332.40042:6 587.97809:61 696.48315:21 696.61206:137 697.2038:26 697.48663:29 699.35907:35 699.38824:15 718.54657:8 754.44482:13 755.27075:12 759.38501:33 759.41669:41 759.49316:253 759.61047:12191 759.71124:100 759.74799:73 759.7973:43 759.87311:34 759.92883:36 760.02228:51 760.06128:50 760.09204:30 28189 27903 30398 290 0 316 8 48791 52211 50638 55859 53124 57796 56091 0 124264 127672 89297 224397 218826 158998 43079 32503 34385 96.7143961588542 162.24151468277 113744.158854167 200740.375 36655.8626302083 28829.8125 53501.4402901786 167.51424797048 217.795493859555 21240.491683054 36256.7591886435 5641.83857150218 1365.22861815332 3237.73126019677 796 8.571 759.64777 w/o MS2:PE-Cer 12:0;2O/29:0 [M-H]- 0.792 True 12.78 759.63849 C43H89N2O6P PE_Cer CGVNBAYRLRSLEU-UHFFFAOYSA-N O=C(NC(COP(=O)(O)OCCN)C(O)CCCCCCCCC)CCCCCCCCCCCCCCCCCCCCCCCCCCCC 530 True True False False False null null 83 99.9 null null null 255.89 P. cold 1 759.64777:39364 760.65112:17930 761.65448:3611 48.37082:30 59.0145:47 61.98822:12936 62.01334:76 62.02992:61 62.07446:13 62.09289:24 62.10415:35 62.12111:16 62.14859:22 62.1849:5 62.20231:18 62.21312:10 62.3031:13 62.35766:33 62.51055:7 62.51876:25 62.62651:26 75.0088:68 89.02377:34 91.00329:45 217.61816:32 349.34344:24 394.99066:44 410.39044:12 441.25977:48 441.28922:13 496.52313:18 627.47961:10 627.52374:17 628.51788:20 631.5896:8 637.08716:19 667.6405:169 669.56323:39 669.61676:15 693.36682:5 696.59155:17 696.65503:33 697.4491:37 697.47644:35 697.63159:39 698.65216:81 699.38501:49 699.44574:5 699.65656:294 699.80542:16 753.70355:10 759.52039:49 759.61713:241 759.6424:346 760.02521:37 347559 302951 335266 17112 1197 1277 0 135768 151647 151463 148362 155459 142311 150699 1316 76996 70305 69826 62498 94868 77892 308546 248894 300161 6541.60017903646 638.502136230469 72375.3802083333 78419.2981770833 285866.9375 328592.083333333 147958.433035714 9154.77710365391 902.978380661322 4008.42520292474 16191.1178700167 32293.0630292715 23040.8501531013 6712.09450745891 797 3.494 760.4762 w/o MS2:PC O-9:0_20:4;2O [M-H]- ion correlated with 160 0.25 False 7.16 760.47699 C37H68NO9P EtherOxPC YZOCXBXYJHGSFZ-UHFFFAOYSA-N O=C(OC(COCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C)CCCCC(O)C(O)C=CCC=CCC=CCC=CCC 530 True True False False False null null 99.7 99.9 null null null 74.11 P. room temp 1 760.4762:4109 761.47955:2085 762.48291:416 24260 25942 29819 0 0 0 0 8276 8321 7617 8582 7892 7742 7526 0 1319 603 607 471 1142 927 31635 27437 30274 0 0 842.858439127604 846.551900227865 29782.033203125 26673.4674479167 7993.64634486607 0 0 412.204234336804 342.643212701771 2141.58437878655 2850.52388321991 401.266896708094 798 1.969 761.38873 w/o MS2:PI 8:0_20:4;1O [M-H]- ion correlated with 1038; ion correlated with 980; ion correlated with 771 0.542 True 6.56 761.38831 C37H63O14P OxPI XHRFXJFICBKUAA-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCC(O)C=CCC=CCC=CCC=CCC)COP(=O)(O)OC1C(O)C(O)C(O)C(O)C1O)CCCCCCC 530 True True False False False null null 100 99.9 null null null 144.14 P. cold 2 761.38873:12381 762.39208:5754 763.39544:1373 78.95939:90 112.97913:31 269.67285:17 343.10001:51 391.14832:14 553.27728:17 701.3512:19 701.40613:12 743.39886:57 756.33594:22 757.14233:12 760.87341:14 761.06366:36 761.11237:46 761.2193:91 761.38763:8407 761.50421:60 761.55029:43 761.62305:42 761.73291:47 761.76532:38 761.79828:22 761.86316:32 91622 97103 89864 0 0 0 0 31410 33052 31302 32548 31352 32674 31775 0 2171 894 1254 2849 2086 2487 88781 65379 86154 0 0 1439.69002278646 2473.74348958333 80104.625 92863.1588541667 32016.2371651786 0 0 658.546527426953 381.622513625539 12819.92875509 3775.86637265623 726.379214720243 799 7.983 761.6261 w/o MS2:PE-Cer 12:0;2O/28:0;O [M-H]- 0.792 True 11.32 761.6178 C42H87N2O7P PE_Cer RNMCUOXEUPEGLT-UHFFFAOYSA-N O=C(NC(COP(=O)(O)OCCN)C(O)CCCCCCCCC)CC(O)CCCCCCCCCCCCCCCCCCCCCCCCC 530 True True False False False null null 86.2 99.9 null null null 152.89 P. room temp 1 761.6261:13878 762.62945:7380 763.63281:1237 61.98835:5184 62.01882:11 62.04693:13 62.08509:5 62.28396:8 62.35765:10 78.92053:14 133.30092:24 309.27954:40 521.99854:32 530.979:19 559.01721:7 583.28741:32 629.50793:20 698.6217:91 701.47931:7 725.64276:52 761.53027:20 761.57959:63 761.61835:343 84182 88858 88806 2076 302 287 0 52110 57558 50953 53341 55413 55841 57249 0 30088 27333 34635 40246 38919 32074 104525 73349 96780 792.426534016927 143.252807617188 30684.9759114583 37079.388671875 91551.0130208333 87282.0364583333 54637.9302455357 1121.57680282406 202.59006338025 3687.44367967241 4385.65098288435 16232.5387465831 2685.03979186888 2550.92203816759 800 4.066 762.50671 w/o MS2:PE O-16:1_22:6;1O [M-H]- 0.25 False 8.66 762.50787 C43H74NO8P EtherOxPE KRBMEUPRFOJADK-UHFFFAOYSA-N O=C(OC(COCCCCCCCCC=CCCCCCC)COP(=O)(O)OCCN)CCC=CC=CC(O)CC=CCC=CCC=CCC=CCC 530 True True False False False null null 99.3 99.9 null null null 88.15 B. cold 2 762.50671:4989 763.51006:2113 764.51342:605 10668 9900 10692 0 0 0 0 16847 17606 17807 15367 17652 18535 17326 0 36580 39939 30183 39065 42410 35696 11933 12094 11650 0 0 35567.4342447917 39057.04296875 11892.3785807292 10420.1350911458 17305.6283482143 0 0 4956.24855188657 3357.17055688421 224.562952618913 450.435194378086 995.123406495529 801 2.339 763.42719 Unknown [M-H]- ion correlated with 665; ion correlated with 1226 0.542 True null null null null null null 999 False False False False False null null null null null null null 195.86 P. cold 1 763.4281:14907 764.43145:7879 765.43481:1749 43.01718:14 57.97611:34 83.04976:22 113.01083:40 163.11337:88 188.94495:59 189.06236:77 189.09142:1024 189.21729:10 207.10126:401 207.2459:15 235.08264:34 253.05009:19 253.09268:111 275.1879:45 277.21701:483 277.81354:8 278.21686:23 295.11697:38 319.2338:6 359.16965:45 415.19931:14 425.1792:59 443.18561:72 513.30884:161 702.33948:18 703.22809:23 703.28479:86 703.40552:8043 703.50153:59 703.6084:20 703.68329:51 703.75958:23 703.8075:36 703.86115:33 703.94348:25 704.02515:42 704.08966:23 704.11761:14 704.17242:47 704.28223:13 704.34705:26 704.4032:154 704.48364:27 704.6601:11 704.75:19 704.9151:32 705.06183:13 705.18768:11 705.36414:12 705.84198:7 706.68683:8 725.63373:16 763.27673:46 763.32452:40 763.37476:59 763.42218:452 763.47711:23 129524 128891 140356 0 0 0 0 45516 40865 40556 37611 37830 35874 37008 0 0 0 0 264 334 622 137685 138552 145109 0 0 0 406.435150146484 140448.932291667 132923.651041667 39322.87890625 0 0 0 190.052534197264 4059.2946123179 6444.61174679871 3282.85582841558 802 8.708 763.59717 w/o MS2:SM 12:0;2O/22:0 [M-H]- 0.792 False 9.41 763.59711 C39H81N2O6P SM JIOJUELCHJZSCJ-UHFFFAOYSA-N O=C(NC(COP(=O)([O-])OCC[N+](C)(C)C)C(O)CCCCCCCCC)CCCCCCCCCCCCCCCCCCCCC 530 True True False False False null null 100 100 null null null 148.33 P. cold 3 763.59717:10309 764.60052:8821 765.60388:2487 69382 72750 81998 0 0 0 0 37534 39459 38518 36731 36951 39723 37586 0 69096 72661 42545 66789 71155 64695 75683 75829 76985 0 0 61434.3372395833 67546.453125 76165.8177083333 74709.8333333333 38071.7946428571 0 0 16455.0885603872 3295.7115400157 713.375524358143 6532.27433763426 1185.06833451192 803 9.151 763.60211 w/o MS2:SM 12:0;2O/22:0 [M-H]- 0.125 False 9.41 763.59711 C39H81N2O6P SM JIOJUELCHJZSCJ-UHFFFAOYSA-N O=C(NC(COP(=O)([O-])OCC[N+](C)(C)C)C(O)CCCCCCCCC)CCCCCCCCCCCCCCCCCCCCC 530 True True False False False null null 88.2 100 null null null 91.03 B. room temp 2 763.60211:5226 764.60546:4236 765.60882:1229 3162 1362 2340 0 0 0 0 4241 5434 8217 7211 5655 6566 6014 0 36496 39248 20466 13629 13166 12025 22476 19929 25852 0 0 32069.8424479167 12940.1012369792 22752.1412760417 2288.04117838542 6191.43101283482 0 0 10142.8915613776 826.04570600416 2971.094841177 901.2688313872 1289.72709232273 804 9.803 763.604 Unknown [M-H]- 0.458 False null null null null null null 999 False False False False False null null null null null null null 105.16 P. cold 3 763.604:6229 764.60735:3646 765.61071:1586 49180 48622 55748 0 0 0 0 17888 18407 16668 17818 16924 18986 17220 0 39041 39633 21331 42762 44281 37768 51466 44368 54391 0 0 33334.9283854167 41603.4791666667 50075.0611979167 51182.9895833333 17701.58984375 0 0 10400.1816018684 3407.52751473737 5154.04076742752 3962.88032429649 826.627072075428 805 8.246 763.60413 w/o MS2:SM 12:0;2O/22:0 [M-H]- 0.792 True 9.41 763.59711 C39H81N2O6P SM JIOJUELCHJZSCJ-UHFFFAOYSA-N O=C(NC(COP(=O)([O-])OCC[N+](C)(C)C)C(O)CCCCCCCCC)CCCCCCCCCCCCCCCCCCCCC 530 True True False False False null null 90 100 null null null 469.35 P. cold 3 763.60413:32689 764.60748:25273 765.61084:7689 136.04419:30 137.05971:14 153.76495:38 202.07883:95 202.099:566 204.04626:27 236.10672:34 353.34018:24 449.30399:37 454.99097:38 533.80817:40 538.8609:12 543.41852:45 653.39087:14 653.49689:49 668.56403:9 668.61761:46 696.41803:35 700.46875:56 704.60339:39 714.62085:7 717.58246:54 725.65942:14 731.57776:16 748.55402:45 758.7182:7 758.78302:14 758.94189:24 759.34174:22 760.4848:11 760.72302:22 761.71454:7 762.58307:14 763.32709:40 763.39966:74 763.4447:166 763.60327:19776 763.73285:125 763.85358:56 763.92841:86 764.00824:59 764.09021:51 221367 226866 250055 0 0 0 0 127889 122559 121548 124632 124949 121697 125417 0 157586 169682 114102 164341 181655 169112 226844 230861 231787 0 0 147122.940104167 171702.53125 229830.734375 232762.838541667 124098.713169643 0 0 29229.9420300753 8942.65257439907 2627.48337459803 15226.108897989 2300.7151673125 806 2.624 765.39856 w/o MS2:PI O-15:4_16:4 [M-H]- 0.042 False 6.81 765.39838 C40H63O12P EtherPI QOZQQNYSVRNMHD-UHFFFAOYSA-N O=C(OC(COCCC=CCC=CCC=CCC=CCC)COP(=O)(O)OC1C(O)C(O)C(O)C(O)C1O)CCC=CCC=CCC=CCC=CCC 530 True True False False False null null 100 99.9 null null null 62.7 QC-5 765.39856:3135 766.40191:1559 767.40527:1486 26772 22971 32075 0 0 0 0 18824 19550 18874 22188 22491 20579 18491 0 230 568 257 1390 1641 2620 30976 70535 44568 0 0 351.698201497396 1883.71606445313 48693.2141927083 27272.7096354167 20142.4810267857 0 0 188.101546945817 650.135949477192 20099.185739937 4572.2735955791 1649.04661968305 807 2.69 765.44427 w/o MS2:PA 16:4_26:7 [M+Hac-H]- ion correlated with 668; adduct linked to 781_[M+FA-H]-; similar chromatogram in higher mz_816 0.542 True 8.04 765.45007 C45H67O8P PA NSCQDPYCMSJOSO-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCC=CCC=CCC=CCC=CCC=CCC=CCC=CCC)COP(=O)(O)O)CCC=CCC=CCC=CCC=CCC 530 True True False False False null null 93.1 99.9 null null null 534.28 P. room temp 3 765.44427:46785 766.44762:26670 767.45098:6227 43.01954:22 57.97622:17 59.01378:107 69.03533:178 83.04994:42 89.02488:46 101.02548:44 163.07845:22 163.11337:104 179.05479:36 189.04807:13 189.09251:1338 189.55998:27 206.09711:14 207.07854:142 207.10162:1389 207.50832:24 207.5332:11 208.10909:20 253.09361:176 255.24846:9 257.10721:62 279.17487:21 279.19943:98 279.2327:1543 279.31366:9 279.59668:25 279.78162:15 279.85825:7 279.95776:7 280.12851:8 280.28448:8 284.26431:10 353.17206:15 354.69672:9 397.30911:22 425.12317:36 425.18069:71 443.15237:37 443.18738:397 449.30374:34 484.27341:29 515.23004:11 515.32373:176 613.37482:45 684.07434:16 687.37262:13 688.98041:12 700.79431:13 700.98645:17 701.76428:10 703.04639:30 704.40479:8 704.78912:17 704.86163:11 705.20111:51 705.28949:142 705.42249:27053 705.55804:224 705.65845:42 705.73737:103 705.79846:66 705.91351:90 705.95166:78 705.99756:79 706.0473:42 706.09155:49 706.13739:21 706.21344:40 706.34723:77 706.4234:825 706.52277:27 706.57526:23 706.63599:32 706.68658:49 706.71625:42 706.77112:54 706.80188:26 706.9054:17 706.96356:20 707.20294:6 707.35913:24 707.44183:15 707.55219:42 707.59479:14 708.01178:41 708.1405:9 708.31982:12 708.93152:14 709.38959:8 710.36261:7 710.97546:11 713.97302:13 722.55151:12 728.80365:5 729.4281:64 742.40192:36 747.37195:21 760.0838:6 765.39917:492 765.44:1198 765.57666:12 765.69409:5 765.74347:6 765.82996:22 765.91638:18 306933 302600 314312 0 0 0 0 132771 117471 113330 105963 107342 111326 108672 0 1089 5478 1876 3303 5184 2786 357204 345716 381467 0 0 2814.20446777344 3757.34578450521 361462.1875 307948.333333333 113839.477678571 0 0 2340.36579938225 1262.13768230033 18251.9100818714 5921.2117278896 9211.82568135191 808 4.532 765.48047 w/o MS2:MGDG 9:0_22:5 [M-H]- 0.042 False 7.89 765.47949 C40H66O10 MGDG YDMAOUONLQJRIJ-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCC=CCC=CCC=CCC=CCC=CCC)COC1OC(CO)C(O)C(O)C1O)CCCCCCCC 530 True True False False False null null 99.5 99.9 null null null 61.52 P. cold 3 765.48047:3076 766.48382:1307 767.48718:581 14606 16434 21291 0 0 0 0 7665 8255 7374 7079 6962 7328 7206 0 7773 8003 5137 8825 10212 7282 20616 16310 21338 0 0 6970.90087890625 8773.18977864583 19421.1637369792 17443.3580729167 7409.92431640625 0 0 1592.79105026018 1465.80026008855 2718.32012761078 3455.02839978457 435.93275926626 809 7.661 765.61871 Unknown [M-H]- similar chromatogram in higher mz_1010 0.792 True null null null null null null 999 False False False False False null null null null null null null 209.6 B. cold 2 765.61871:21705 766.62206:13317 767.62542:3557 44.99763:46 61.98864:40 149.06091:165 149.44928:10 149.49554:13 178.48169:10 257.14212:5 435.30695:28 476.35928:51 503.38321:9 505.32666:10 593.52905:16 708.59033:31 747.51276:11 760.9024:5 761.50299:24 761.54114:12 761.87494:14 763.8501:8 764.06061:23 765.06726:27 765.17871:18 765.2168:19 765.27368:59 765.33875:33 765.4007:72 765.46045:54 765.50073:107 765.62012:13410 765.76459:82 765.83826:37 765.92426:53 765.96118:43 766.01019:39 766.05042:41 766.10596:34 58259 60234 60610 0 0 0 0 62314 62166 61576 61894 29773 59699 59954 0 112768 135605 98070 122142 169627 146780 60574 37038 72944 0 0 115481.080729167 146183.0859375 56851.9036458333 59700.8736979167 56768.1143973214 0 0 18914.3830917306 23747.8189201924 18240.2108279786 1262.84267068624 11949.6467194924 810 6.973 765.65686 Unknown [M+FA-H]- adduct linked to 837_[M+Hac-H]- 0.875 True null null null null null null 999 False False False False False null null null null null null null 613.59 P. cold 1 765.65643:27990 766.65978:13444 767.66314:2833 44.99803:1517 45.02551:13 45.16474:17 255.23557:126 651.51978:224 651.95233:24 665.46368:14 669.35907:29 669.4306:14 669.53119:929 669.62708:17 669.67194:5 669.84192:23 670.05664:5 670.5329:84 670.70111:20 670.95129:23 671.06769:7 671.64966:14 683.33276:31 697.52496:818 697.64215:9 697.91626:6 698.35461:8 698.45343:10 698.53729:18 698.71979:21 702.56128:49 702.61078:174 702.79657:10 719.56116:45 765.39014:18 765.43298:43 765.49536:72 765.6571:9526 765.75592:45 765.81024:84 765.87781:20 765.93878:18 766.09668:29 233342 272770 308341 0 0 296838 340198 190780 187987 176810 168804 170237 161562 157423 0 305594 318103 237721 341082 301241 312423 320529 232522 258112 0 318518.0625 287139.234375 318248.708333333 270387.651041667 271484.333333333 173371.895089286 0 30660.6361681608 43252.2788272395 20549.6868896827 45269.4150195201 37516.4796952871 12602.7052769372 811 2.282 766.40247 Unknown [M-H]- ion correlated with 665 0.125 False null null null null null null 999 False False False False False null null null null null null null 193.94 P. cold 3 766.40247:10638 767.40582:4560 768.40918:1167 102806 108077 107829 0 0 0 0 33252 34985 33816 37400 35974 32915 34802 0 0 0 0 264 270 756 97893 73366 89282 0 0 0 429.890513102214 86846.8958333333 106237.171875 34734.8822544643 0 0 0 282.232154328795 12443.3957587203 2974.44646331423 1584.33771684236 812 2.357 766.40283 Unknown [M-H]- ion correlated with 665 0.417 False null null null null null null 999 False False False False False null null null null null null null 111.89 P. cold 2 766.40283:11412 767.40618:5084 768.40954:1249 102806 108077 107829 0 0 0 0 33252 34985 34976 37400 35974 32915 34802 0 0 0 0 264 270 756 97893 73366 89282 0 0 0 429.890513102214 86846.8880208333 106237.171875 34900.4771205357 0 0 0 282.232154328795 12443.3957587203 2974.44646331423 1532.05806120738 813 3.622 766.48779 w/o MS2:PC O-10:0_18:2;3O [M-H]- ion correlated with 464 0.25 False 7.24 766.48761 C36H70NO10P EtherOxPC GVKIHTKSICERQS-UHFFFAOYSA-N O=C(OC(COCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C)CCCCCCCC(O)C=CC(O)C(O)CC=CCC 530 True True False False False null null 100 99.9 null null null 125 B. room temp 2 766.48779:7759 767.49114:4893 768.4945:788 494 904 1139 0 0 0 0 16977 17631 17688 15259 17542 17422 17725 0 49929 56644 39369 44508 44068 42916 1272 503 1270 0 0 48647.3776041667 43830.546875 1015.19160970052 845.43994140625 17177.6418805804 0 0 8708.21876486357 822.054835112453 443.551640701686 326.365580646359 883.002680588076 814 8.74 766.69244 w/o MS2:Cer 12:0;2O/33:1;(2OH) [M-H]- 0.542 False 13.32 766.69299 C45H89NO4 Cer_ADS GOZYNGDQJVSKIR-UHFFFAOYSA-N O=C(NC(CO)C(O)CCCCCCCCC)C(O)CCCCCCCCCCCCCCCCCCCC=CCCCCCCCCCC 530 True True False False False null null 99.8 99.9 null null null 111.82 B. room temp 1 766.69244:11377 767.69579:6672 768.69915:1475 568 0 0 0 0 0 0 24665 29609 29768 28652 28234 28911 28202 0 88261 64619 65960 62692 49207 36978 917 0 310 0 0 72946.69921875 49625.6432291667 408.883260091146 189.256001790365 28291.6311383929 0 0 13279.2256602939 12861.9359466829 466.537307220481 327.801010738258 1712.25502876929 815 3.205 767.45825 Unknown [M-H]- ion correlated with 672; ion correlated with 821 0.042 False null null null null null null 999 False False False False False null null null null null null null 67.16 P. room temp 2 767.45825:3358 768.4616:1275 769.46496:502 24498 25122 25498 0 0 0 0 11697 9748 10074 8831 9280 10120 9583 0 0 0 0 0 1298 586 26755 27238 29133 0 0 0 627.983256022135 27708.5305989583 25039.103515625 9904.61509486607 0 0 0 650.101531674257 1256.66349478118 505.099771324141 908.944478698447 816 2.69 768.41827 Unknown [M-H]- ion correlated with 668; ion correlated with 807 0.542 True null null null null null null 999 False False False False False null null null null null null null 429.2 P. cold 2 768.41974:30536 769.42309:14524 770.42645:2678 59.01469:30 61.94627:6 61.98815:11440 62.0233:36 62.03063:30 62.05405:16 62.06871:15 62.08232:12 62.12862:17 62.14041:10 62.14768:38 62.1732:15 62.18582:16 62.20217:20 62.26759:29 62.34397:10 62.404:9 87.01002:38 163.11333:57 189.0928:85 190.09503:55 207.10477:60 208.10541:61 209.10825:50 210.10918:53 255.09457:64 269.2435:13 279.23209:73 280.23447:56 373.22012:29 401.32669:27 600.99323:49 706.43066:35 707.22864:9 707.4314:29 707.99615:14 708.41663:26 708.92047:15 730.41638:44 767.44446:20 768.42023:47 768.47858:12 268347 266148 285020 0 0 0 0 119199 125385 126212 124559 123297 121772 120598 0 0 319 0 678 1281 1670 285008 191204 291254 0 0 106.238159179688 1209.80735270182 255822.322916667 273171.541666667 123002.979910714 0 0 184.009889401809 499.744880189339 56047.9420301475 10319.9092431782 2590.00738605976 817 7.908 768.59589 w/o MS2:HexCer 16:0;2O/22:2;O [M-H]- ion correlated with 1022 0.083 False 10.16 768.59949 C44H83NO9 HexCer_HDS ZNHFESJIAOALSM-UHFFFAOYSA-N O=C(NC(COC1OC(CO)C(O)C(O)C1O)C(O)CCCCCCCCCCCCC)C(O)CCCCCCCCCCC=CCC=CCCCCC 530 True True False False False null null 93.7 100 null null null 63.2 P. room temp 1 768.59589:3191 769.59924:1615 770.6026:438 24337 26239 25379 0 0 0 0 9380 9207 9560 8129 7575 8127 9677 0 256 1442 321 982 1442 0 25751 22157 27139 0 0 673.072545369466 807.867594401042 25015.7936197917 25318.3411458333 8807.93150111607 0 0 666.940795705141 736.399149052863 2571.24288849268 952.255142010417 841.794312349705 818 6.83 768.60052 w/o MS2:HexCer 16:0;2O/22:2;O [M-H]- ion correlated with 928; adduct linked to 896_[M+FA-H]-; found in higher mz's MsMs_925; found in higher mz's MsMs_896 0.792 True 10.16 768.59949 C44H83NO9 HexCer_HDS ZNHFESJIAOALSM-UHFFFAOYSA-N O=C(NC(COC1OC(CO)C(O)C(O)C1O)C(O)CCCCCCCCCCCCC)C(O)CCCCCCCCCCC=CCC=CCCCCC 530 True True False False False null null 99.8 99.9 null null null 997.28 B. room temp 2 768.60052:106444 769.60387:68000 770.60723:15660 59.01267:388 71.01357:269 71.11804:25 89.01529:60 89.02487:410 101.02306:172 113.02381:169 115.04305:15 119.03406:150 120.75317:7 131.03297:42 143.01801:41 143.03555:26 149.1889:10 161.04514:134 162.35553:27 179.02699:41 179.0564:206 193.19759:15 237.22882:23 248.24168:15 255.23196:46 278.24649:137 281.28476:80 281.33264:6 296.25775:32 306.20212:26 306.23779:65 309.31726:13 311.27109:25 311.30765:12 326.31055:33 327.28674:193 327.37967:11 350.30646:47 352.26312:13 352.31738:71 357.01254:38 371.22757:48 382.2468:45 479.95914:34 499.48712:9 563.02838:47 586.49603:25 588.44525:77 588.53467:608 588.58154:28 588.79956:16 588.9754:9 589.53772:53 604.33356:17 606.48792:16 606.52191:39 606.54126:117 606.58386:11 606.73431:36 607.50946:27 635.12994:23 656.24603:23 709.49268:16 710.31207:51 723.50525:16 725.5235:48 763.34253:10 763.42194:24 763.51251:7 763.75568:48 763.7843:12 763.84161:24 763.96582:10 764.01355:24 764.09949:26 764.16638:20 764.30957:8 764.34552:15 764.53894:25 764.74915:18 765.72412:18 765.83411:19 766.26929:21 766.54694:12 767.33136:32 767.40656:7 767.44714:12 767.58899:11 767.69159:13 767.83398:28 768.06854:30 768.11646:8 768.18378:43 768.25269:42 768.3844:170 768.59985:58987 83814 84543 85219 0 0 0 0 295519 327908 325737 326918 315612 321145 319454 0 681034 773476 593530 706307 679416 612363 98909 95746 106155 0 0 682679.979166667 666028.833333333 100270.1484375 84525.4973958333 318899.008928571 0 0 89984.1298355823 48381.7479009039 5336.62442285869 702.635934832056 11217.7102370815 819 8.322 768.67389 w/o MS2:Cer 25:1;3O/19:0;(2OH) [M+Hac-H]- ion correlated with 785; ion correlated with 756; ion correlated with 612; adduct linked to 677_[M-H]- 0.542 True 13.21 768.6723 C44H87NO5 Cer_AP JWPNKFGMFVFWTQ-UHFFFAOYSA-N O=C(NC(CO)C(O)C(O)CCCC=CCCCCCCCCCCCCCCCC)C(O)CCCCCCCCCCCCCCCCC 530 True True False False False null null 78.9 99.9 null null null 398.89 B. room temp 1 768.67389:33746 769.67724:20191 770.6806:5214 57.97578:38 59.01367:44 87.00634:43 88.00189:63 89.02301:177 267.21994:16 408.37488:28 409.35962:34 409.67429:19 411.98273:17 678.63806:50 680.64691:28 692.44586:6 700.83453:24 704.38824:9 704.89856:5 705.28271:13 707.2644:17 707.48224:13 708.30042:36 708.38098:14 708.40271:37 708.47583:129 708.53998:433 708.64429:25267 708.78046:193 708.83917:81 708.88428:51 708.9184:102 709.01868:60 709.11359:54 709.16461:82 709.23114:49 709.27515:45 709.3551:64 709.43561:59 709.5528:52 709.59625:52 709.64996:575 709.7818:68 709.85083:20 709.9176:39 709.99365:23 710.05969:18 710.11853:49 710.25037:37 710.37109:35 710.44342:7 710.50922:18 710.58295:20 710.72137:8 710.81323:21 710.96747:7 711.29956:12 711.4212:5 711.77167:19 711.98431:7 718.81366:6 723.59259:9 724.61078:7 766.20599:9 768.57843:59 768.66333:363 4767 4996 5714 0 0 0 0 134804 97494 95020 96947 96562 99379 94860 0 275502 259163 199430 229579 234170 176863 8109 5418 3792 0 0 244697.96875 213537.739583333 5773.34195963542 5158.90315755208 102152.518973214 0 0 40045.7362890834 31843.7998259329 2180.31365446806 493.797667668743 14479.5211644716 820 5 769.50244 w/o MS2:PG 6:0_30:4 [M-H]- ion correlated with 706 0.625 False 8.31 769.5025 C42H75O10P PG DPKSKGRZGRTODG-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCCCCCCCCCCCC=CCC=CCC=CCC=CCC)COP(=O)(O)OCC(O)CO)CCCCC 530 True True False False False null null 100 99.9 null null null 106.01 B. cold 1 769.50244:14048 770.50579:8621 771.50915:2179 27326 29531 31784 0 0 0 0 24694 26187 24921 22667 25331 23389 24922 0 58150 56706 50618 97208 70401 59113 19657 20047 20544 0 0 55158.2565104167 75574.0677083333 20082.73046875 29546.76953125 24587.1939174107 0 0 3997.8388179585 19567.1453277862 444.335184975324 2228.81911436481 1188.07880541438 821 3.178 770.43359 w/o MS2:PS O-15:4_22:6 [M-H]- ion correlated with 815 0.208 False 7.02 770.44019 C43H66NO9P EtherPS ZEQREZVDSRQJOA-UHFFFAOYSA-N O=C(OC(COCCC=CCC=CCC=CCC=CCC)COP(=O)(O)OCC(N)C(=O)O)CCC=CCC=CCC=CCC=CCC=CCC=CCC 530 True True False False False null null 80.5 99.9 null null null 74.71 P. cold 1 770.43359:3845 771.43694:2457 772.4403:416 33874 31850 34032 0 0 0 0 11491 13059 12857 13526 13645 13058 13185 0 0 0 0 0 267 249 36947 26025 35264 0 0 0 171.796376546224 32745.14453125 33251.7473958333 12974.3505859375 0 0 0 149.060467610748 5880.74185632357 1216.7601396462 710.380163712657 822 7.651 770.55945 w/o MS2:HexCer 16:1;2O/24:6 [M-H]- ion correlated with 549; ion correlated with 240 0.208 False 9.47 770.55762 C46H77NO8 HexCer_NS BSSVJPJPLMUVGR-UHFFFAOYSA-N O=C(NC(COC1OC(CO)C(O)C(O)C1O)C(O)C=CCCCCCCCCCCC)CCCCC=CCC=CCC=CCC=CCC=CCC=CCC 530 True True False False False null null 98.3 100 null null null 99.88 P. room temp 3 770.55945:5173 771.5628:3571 772.56616:1004 28770 34553 37258 0 0 0 0 13093 13104 13217 11945 13339 11509 10346 0 4633 3265 3816 4102 2127 2244 37764 32352 37682 0 0 3904.97574869792 2824.26643880208 35932.4759114583 33526.84765625 12364.6563895089 0 0 688.530124747762 1107.72018889523 3101.10144024814 4335.97754730239 1135.38997632365 823 7.821 770.56079 w/o MS2:HexCer 16:1;2O/24:6 [M-H]- ion correlated with 561 0.25 False 9.47 770.55762 C46H77NO8 HexCer_NS BSSVJPJPLMUVGR-UHFFFAOYSA-N O=C(NC(COC1OC(CO)C(O)C(O)C1O)C(O)C=CCCCCCCCCCCC)CCCCC=CCC=CCC=CCC=CCC=CCC=CCC 530 True True False False False null null 95.1 100 null null null 124.42 P. room temp 1 770.56079:7369 771.56414:6574 772.5675:2212 34936 40020 45042 0 0 0 0 12268 9508 11041 10630 11472 11169 10138 0 2334 2021 2792 2967 2262 2328 52229 45270 47251 0 0 2382.5595703125 2519.12670898438 48250.0169270833 39999.57421875 10889.427734375 0 0 387.517460860663 389.172562233716 3585.61410182241 5053.27622492804 902.032828986286 824 8.76 770.67786 w/o MS2:Cer 18:0;3O/26:0;(2OH) [M+Hac-H]- ion correlated with 790; adduct linked to 684_[M-H]- 0.792 True 13.29 770.68793 C44H89NO5 Cer_AP XNLFLZXNXQVPII-UHFFFAOYSA-N O=C(NC(CO)C(O)C(O)CCCCCCCCCCCCCC)C(O)CCCCCCCCCCCCCCCCCCCCCCCC 530 True True False False False null null 75.9 99.9 null null null 223.61 QC-1 770.67786:17090 771.68121:11252 772.68457:2358 41.997:25 44.99787:37 61.98834:503 87.00997:19 89.02413:144 255.22771:17 267.2291:59 284.26184:47 324.56479:18 393.33313:20 393.36728:19 411.32465:18 411.38132:201 418.3176:5 454.42807:16 466.36188:8 466.39172:22 466.42902:39 604.16144:25 646.62323:16 673.48938:5 679.6012:8 692.65271:20 694.62756:19 706.26001:18 706.72845:13 707.05914:16 708.3277:9 708.72321:15 709.88275:27 710.13263:15 710.38007:15 710.48206:136 710.66644:15124 710.78296:124 710.99213:90 711.07129:37 711.09851:45 711.17212:65 711.24384:37 711.27539:14 711.36578:40 711.44604:94 711.5047:29 711.66559:361 711.71527:49 711.80542:23 711.85431:12 711.88196:19 711.95819:32 712.00183:38 712.05768:10 712.14014:18 712.20471:19 712.26001:23 712.52747:6 712.66583:7 712.76733:8 713.17279:18 713.47791:13 713.83484:11 717.2486:11 724.45709:25 752.62701:43 770.70782:19 120784 100279 100441 2443 0 0 0 124864 111854 109638 90976 97831 75900 81009 0 64065 47921 62109 46049 59254 44918 97175 64119 95213 814.347737630208 0 58031.9322916667 50073.46875 85502.1861979167 107168.03125 98867.4665178571 1410.49165660429 0 8810.36392521475 7970.55016351561 18544.6057730277 11792.4242605314 17655.2179695137 825 8.711 771.6134 Unknown [M+FA-H]- ion correlated with 1217; adduct linked to 845_[M+Hac-H]- 0.25 False null null null null null null 999 False False False False False null null null null null null null 102.71 B. room temp 2 771.6134:6349 772.61675:4760 773.62011:1895 1861 1296 1327 0 0 0 0 18415 16387 14375 14877 14818 13814 12648 0 43438 47733 30107 37192 39325 35812 605 1266 1665 0 0 40426.017578125 37442.7682291667 1178.54494222005 1494.71952311198 15047.7864118304 0 0 9190.65241405602 1769.92850266935 535.382055143764 317.944470261925 1868.51373885796 826 8.314 771.64752 w/o MS2:SE 24:1;O4/25:0;1O [M-H]- ion correlated with 941; ion correlated with 612 0.542 True 13.8 771.65082 C49H88O6 DCAE YCGUSOGJMORMAC-UHFFFAOYSA-N O=C(O)CCC(C)C1CCC2C3CCC4CC(OC(=O)CCCCCCCC(O)CCCCCCCCCCCCCCCC)CCC4(C)C3CC(O)C12C 530 True True False False False null null 97.7 99.8 null null null 266.04 B. room temp 2 771.64752:20088 772.65087:10672 773.65423:2792 61.98824:8398 62.02543:9 62.08803:17 62.10234:13 62.12324:9 62.15068:22 62.17519:21 87.00736:103 88.00471:122 88.02218:31 89.02275:67 90.02723:18 91.00361:111 209.08456:21 267.23364:51 280.23886:27 364.3631:10 378.37326:78 380.35968:39 409.38455:15 410.36804:37 411.37949:38 412.37512:32 423.40149:33 452.41354:31 453.40793:56 465.4133:41 675.6405:21 693.66772:6 710.64502:26 711.5592:32 711.65924:114 727.08942:20 771.53107:7 11369 10932 12619 302 0 0 0 72876 72174 70513 75936 74062 80458 82438 560 168177 180068 131446 158296 178926 146107 14546 10655 13452 287.03818766276 0 159897.145833333 161109.734375 12884.3430989583 11639.9501953125 75493.9107142857 280.077735782366 0 25346.6606237964 16589.5752442731 2006.34884976453 875.676976111345 4430.83922758875 827 5.598 773.53418 w/o MS2:PG 6:0_30:2 [M-H]- similar chromatogram in higher mz_1099 0.25 False 8.74 773.53381 C42H79O10P PG BDMHIWVWGDVWDK-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCCCCCCCCCCCCC=CCC=CCCCCCCC)COP(=O)(O)OCC(O)CO)CCCCC 530 True True False False False null null 99.9 100 null null null 106.92 B. cold 1 773.53418:6359 774.53753:4218 775.54089:885 14018 13938 14802 0 0 0 0 20040 21321 18950 19175 17710 18934 18241 0 35988 37607 28860 46110 44410 38772 7734 8287 9689 0 0 34151.8723958333 43097.2291666667 8570.24088541667 14252.7981770833 19195.724609375 0 0 4653.46563573959 3840.85835491651 1007.39484149983 477.159629147089 1188.68312971026 828 7.728 773.62598 w/o MS2:PE-Cer 12:1;2O/29:0;O [M-H]- 0.542 True 11.31 773.6178 C43H87N2O7P PE_Cer BJKYRAAWXBDELS-UHFFFAOYSA-N O=C(NC(COP(=O)(O)OCCN)C(O)C=CCCCCCCC)CC(O)CCCCCCCCCCCCCCCCCCCCCCCCCC 530 True True False False False null null 87 99.9 null null null 189.3 B. cold 2 773.62598:21517 774.62933:11401 775.63269:2372 36.06015:6 59.01295:108 61.92749:25 61.9882:9275 62.03615:40 62.09738:19 62.10966:26 62.14234:16 62.21038:6 327.39404:10 374.28961:60 685.61163:35 710.5611:20 710.62616:146 710.80902:15 713.64008:20 773.38263:28 773.52594:11 773.6239:625 773.84387:15 774.07458:10 12620 12210 12975 0 0 0 0 37122 39139 33502 38208 38009 42010 42045 0 96561 97678 62053 161696 167712 132637 24257 13463 20759 0 0 85430.6015625 154015.1875 19493.333984375 12601.7119140625 38576.2985491071 0 0 20253.0556727843 18756.5012391537 5507.10715334515 382.747880187291 2956.94136420352 829 9.114 773.62878 Unknown [M+FA-H]- adduct linked to 851_[M+Hac-H]-; similar chromatogram in higher mz_1200 0.25 False null null null null null null 999 False False False False False null null null null null null null 119.01 B. room temp 2 773.62878:8103 774.63213:5744 775.63549:1730 8995 10478 13822 0 0 0 0 12064 14585 12262 11573 11765 11723 12178 0 54620 54610 26136 35630 40803 31645 11562 8285 7917 0 0 45122.0397135417 36026.1393229167 9254.53141276042 11098.4410807292 12307.0604073661 0 0 16442.1312556541 4591.84440715432 2006.90629343985 2472.27712809224 1035.8807477027 830 8.76 773.66302 w/o MS2:PE-Cer 12:0;2O/30:0 [M-H]- 0.792 True 13 773.65417 C44H91N2O6P PE_Cer MJTAEUPKPKGBJP-UHFFFAOYSA-N O=C(NC(COP(=O)(O)OCCN)C(O)CCCCCCCCC)CCCCCCCCCCCCCCCCCCCCCCCCCCCCC 530 True True False False False null null 84.9 99.9 null null null 252.93 P. cold 1 773.66302:20992 774.66637:12821 775.66973:3015 61.98819:9103 62.03036:26 62.04969:20 62.05891:15 62.10395:12 62.12048:14 62.15044:6 62.17769:6 62.19676:13 62.29495:15 62.31672:11 62.36583:23 62.38493:26 63.50068:29 127.00496:14 159.9733:29 543.97778:15 681.65656:24 683.60352:33 683.64716:23 711.66998:36 713.51001:8 713.61151:75 713.67242:205 713.78693:7 713.87927:24 773.5835:38 773.65802:150 774.14886:12 159621 136411 135662 9033 372 924 344 62281 100819 105227 103616 112094 93915 98324 1175 64451 52027 59823 54210 67399 50963 134997 94745 131633 3526.47125244141 634.42658996582 58766.59375 57524.1809895833 120458.1328125 143898.067708333 96610.7684151786 4785.27439739037 410.144094912669 6279.06564135747 8704.737312139 22332.0441791289 13621.2563645865 16173.4673903823 831 2.599 775.42743 Unknown [M+FA-H]- adduct linked to 725_[M-H]- 0.25 False null null null null null null 999 False False False False False null null null null null null null 89.6 P. cold 3 775.42743:5546 776.43078:2855 777.43414:680 40365 41770 49145 0 0 0 0 11141 9735 10256 9444 8875 8662 8424 0 0 0 0 251 0 0 35915 36763 36146 0 0 0 83.664311726888 36274.85546875 43759.9791666667 9505.4609375 0 0 0 144.910838691251 438.454592016384 4716.17468133688 963.528855605674 832 8.213 775.64148 Unknown [M-H]- 0.042 False null null null null null null 999 False False False False False null null null null null null null 62.33 P. room temp 1 775.64148:3117 776.64483:1926 777.64819:613 18824 19435 20161 1047 0 0 0 11275 10386 9929 10613 11719 9503 10601 0 4372 4014 5353 6547 5262 4413 23735 17186 31224 348.966389973958 0 4579.91455078125 5407.37760416667 24048.4505208333 19473.2037760417 10575.2300502232 604.42751756879 0 693.05642791673 1073.93776579058 7024.2511144412 669.354018526568 753.053069995779 833 6.182 777.56458 w/o MS2:PG 30:0_6:0 [M-H]- adduct linked to 939_[M+CH3COO]-; found in higher mz's MsMs_915 0.125 False 10.53 777.56512 C42H83O10P PG MIRFUNWVPDUVQJ-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCC)COP(=O)(O)OCC(O)CO)CCCCCCCCCCCCCCCCCCCCCCCCCCCCC 530 True True False False False null null 99.8 99.9 null null null 23.75 P. room temp 3 777.56458:3819 778.56793:2498 779.57129:1105 21982 21893 24172 0 0 0 0 15200 16324 16054 14965 13889 14811 14702 0 16393 17478 14383 18205 18820 15059 25717 21784 28112 0 0 16084.4300130208 17361.1116536458 25204.44140625 22682.2220052083 15135.0445033482 0 0 1570.23098259631 2017.71246117325 3194.54974879685 1290.80571546979 830.229292367116 834 8.155 778.60992 w/o MS2:CerP 18:1;2O/28:3 [M+Hac-H]- ion correlated with 1134; ion correlated with 878; ion correlated with 1066; adduct linked to 657_[M-H2O-H]- 0.333 False 12.62 778.612 C46H86NO6P CerP ZXRBBCXGQIFMIF-UHFFFAOYSA-N O=C(NC(COP(=O)(O)O)C(O)C=CCCCCCCCCCCCCC)CCCCCCCCCCCCC=CCC=CCC=CCCCCCCC 530 True True False False False null null 97.9 99.9 null null null 78.41 B. room temp 3 778.60992:4365 779.61327:4433 780.61663:2551 5193 4836 7080 0 0 0 0 29332 30369 30832 30320 29235 29799 30933 0 45816 47062 47672 44791 42491 41785 4384 4182 6514 0 0 46850.0364583333 43022.30078125 5026.7900390625 5702.94694010417 30116.8783482143 0 0 946.016565361987 1571.83683027576 1291.80466163653 1205.43609246631 680.242622997875 835 4.859 779.50067 w/o MS2:SMGDG O-8:0_23:1 [M-H]- 0.375 False 8.23 779.49847 C40H76O12S EtherSMGDG HGSPKBJXUAMREL-UHFFFAOYSA-N O=C(OC(COCCCCCCCC)COC1OC(CO)C(O)C(OS(=O)(=O)O)C1O)CCCCCCCCCCC=CCCCCCCCCCC 530 True True False False False null null 97.6 99.9 null null null 37.07 P. room temp 1 779.50067:6880 780.50402:3957 781.50738:1210 26656 31601 38763 0 0 0 0 13647 12805 11665 13661 13145 13272 12604 0 23725 24396 16615 34283 25200 19481 49177 34263 42440 0 0 21578.529296875 26321.3782552083 41959.84375 32340.0768229167 12971.3982979911 0 0 4312.06170228504 7464.03488235825 7468.89624883473 6087.46044117267 697.875991775358 836 8.084 779.599 Unknown [M-H]- 0.792 True null null null null null null 999 True False False False True null null null null null null null 365.24 P. cold 3 779.599:38575 780.60235:26306 781.60571:6481 44.99774:57 69.20924:19 83.0249:26 84.01012:35 110.00029:10 112.98635:125 113.45889:13 114.01903:7 123.04239:29 132.99046:27 135.04657:22 136.04814:56 137.0618:61 149.05983:89 150.03677:20 164.04834:23 175.07782:27 177.08617:39 178.06514:35 183.04112:10 190.09991:40 200.08138:67 201.09067:24 202.09923:78 203.10223:42 218.09406:55 232.11554:59 286.16422:7 335.23572:25 442.14767:58 447.32147:17 499.35461:55 517.35992:28 555.47894:34 635.47339:10 641.54175:29 675.54248:24 677.76263:8 677.82556:20 688.4361:24 693.52386:19 694.64447:19 695.46527:18 696.63959:31 711.5387:19 717.5979:52 719.57062:44 719.94171:10 733.52679:32 733.59302:414 733.89752:21 734.60913:31 735.3938:13 735.62488:48 736.57721:40 737.58112:55 743.57098:33 746.57507:62 747.02673:10 751.48987:24 751.51672:23 751.60126:580 752.25543:29 752.58716:28 753.35516:22 761.28577:46 761.39062:14 761.51965:141 761.58923:1601 761.83887:10 761.88654:14 762.0296:14 762.08685:8 762.20068:21 762.5249:21 762.59204:69 763.0697:8 764.5401:17 774.44183:26 774.57739:8 774.72437:30 774.82654:5 774.97083:16 775.28827:33 777.1463:5 777.49274:14 777.54132:9 778.30939:37 779.06439:42 779.11365:12 779.18018:17 779.26697:11 779.59985:18922 779.74878:123 779.83722:48 779.87683:73 779.92719:86 779.98138:58 780.02643:40 780.0863:51 375817 349104 404013 592 69 284 0 169390 189202 187776 171155 168159 183552 179276 0 127924 106412 88980 136610 138678 156038 370855 374296 271286 220.278160095215 142.094467163086 107772.143229167 143775.494791667 338812.21875 376311.395833333 178358.607142857 323.425662794159 200.951922600215 19507.6207103112 10670.2557376759 58504.8486921904 27457.448264178 8854.96310394914 837 6.973 779.67255 Unknown [M+Hac-H]- adduct linked to 810_[M+FA-H]- 0.875 True null null null null null null 999 False False False False False null null null null null null null 1671.83 P. cold 1 779.67249:78660 780.67584:40599 781.6792:8107 40.01654:24 55.02595:49 58.88437:30 59.01422:5393 59.04635:12 59.13439:22 59.18224:7 59.24605:24 59.26572:14 59.28026:9 59.33119:12 59.35248:10 59.65177:27 83.0216:11 91.0068:11 101.01923:27 116.93014:14 161.15591:18 255.22115:31 255.23503:205 255.4641:8 283.24875:35 317.84094:21 334.15445:19 342.13498:56 411.24588:26 431.2851:24 431.34259:8 437.18417:41 473.3092:32 505.37936:72 624.43835:17 651.43121:27 651.51953:599 652.25562:24 652.51489:50 666.91168:33 669.53107:657 669.8327:9 670.48962:5 670.53967:39 685.28522:14 700.52032:27 702.56415:67 702.61615:1187 702.67731:11 702.74445:16 702.85437:12 702.95514:28 703.35791:25 703.45911:7 703.50494:8 703.61487:60 705.11896:13 707.25061:14 711.33344:34 711.38135:49 711.54388:3658 711.66138:16 711.74939:80 711.83301:35 711.93799:16 712.00818:17 712.09119:28 712.12958:36 712.1557:22 712.20178:28 712.2384:12 712.27557:21 712.35858:21 712.39447:13 712.47705:59 712.50305:37 712.552:173 712.59833:31 712.65375:14 712.71832:23 712.75317:25 712.89355:10 712.95819:37 713.02496:12 713.56726:12 713.59497:15 713.75049:20 714.31714:12 714.52057:15 717.56952:13 718.78394:19 719.57092:45 733.45911:36 734.50464:35 735.67694:40 736.65149:23 757.00073:19 774.87256:22 774.96045:23 775.20154:7 775.32599:18 776.39435:12 777.88745:18 778.04163:13 778.61987:22 778.67792:13 779.10223:11 779.3241:25 779.41089:30 779.50494:147 779.67407:29579 779.9267:33 779.99982:68 780.12769:71 650675 753812 891194 0 0 692948 814355 470551 440497 463451 449693 455058 454857 459992 0 890438 941546 648291 966973 879135 871898 894478 656484 744316 0 753651.46875 826758.083333333 906002.208333333 765092.5625 765226.958333333 456299.825892857 0 85848.1107310796 156655.479105004 52926.2514183332 120349.284056914 120665.324590184 9702.90142259289 838 7.653 780.59485 w/o MS2:CL 12:0_15:0_24:0_28:0 [M+Hac-H]- adduct linked to 662_[M-H2O-H]- 0.25 False 14.4 780.59619 C88H172O17P2 CL GXFYEYORRGYKJK-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCCCCCC)COP(=O)(O)OCC(O)COP(=O)(O)OCC(OC(=O)CCCCCCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCC 530 True True False False False null null 99.1 99.8 null null null 61.57 B. room temp 1 780.59485:3937 781.5982:1880 782.60156:902 19322 16645 15652 0 0 0 0 22435 22757 20578 20447 19724 20251 21508 0 33830 33655 28851 33107 30159 27636 21581 18477 18453 0 0 32111.7975260417 30300.6204427083 19503.6608072917 17206.6822916667 21099.9955357143 0 0 2825.65738639292 2738.50106181478 1798.79348255519 1898.30799223933 1155.15491335144 839 8.594 780.63159 w/o MS2:CerP 18:1;2O/28:2 [M+Hac-H]- adduct linked to 663_[M-H2O-H]- 0.542 False 12.96 780.62762 C46H88NO6P CerP FOBZFSZKEYMFEG-UHFFFAOYSA-N O=C(NC(COP(=O)(O)O)C(O)C=CCCCCCCCCCCCCC)CCCCCCCCCCCCCCCC=CCC=CCCCCCCC 530 True True False False False null null 92.4 99.9 null null null 89.47 QC-3 780.63159:5327 781.63494:2793 782.6383:786 27437 24387 23002 0 0 0 0 45451 44533 46886 41475 44301 37840 39860 0 31371 28778 45512 30344 36217 37616 24262 22344 24467 0 0 35220.4563802083 34725.595703125 23690.884765625 24941.9440104167 42906.5357142857 0 0 9006.59117282824 3858.44719306913 1170.77335587216 2268.75700981241 3263.3568495964 840 4.668 781.46655 w/o MS2:PG 14:0_22:6;1O [M-H]- similar chromatogram in higher mz_855 0.25 False 7.85 781.46613 C42H71O11P OxPG OVAUOLHWTCDNDE-UHFFFAOYSA-N O=C(OCC(OC(=O)CCC=CC=CC(O)CC=CCC=CCC=CCC=CCC)COP(=O)(O)OCC(O)CO)CCCCCCCCCCCCC 530 True True False False False null null 99.9 99.9 null null null 82.9 P. room temp 2 781.46655:5315 782.4699:2445 783.47326:2202 28295 29132 29445 0 0 0 0 18302 17506 18520 18969 19117 18597 18711 0 2156 2329 3297 2677 2913 3248 29396 41060 32368 0 0 2593.86922200521 2946.0537109375 34274.8645833333 28957.4934895833 18531.7692522321 0 0 614.577672085216 287.160312455202 6061.07135198919 594.208779841506 528.344121403781 841 8.141 782.61176 w/o MS2:HexCer 17:0;2O/22:2;O [M+Hac-H]- ion correlated with 1037; ion correlated with 671; adduct linked to 667_[M-H2O-H]- 0.25 False 10.57 782.61517 C45H85NO9 HexCer_HDS OANTWCYHBFWRDP-UHFFFAOYSA-N O=C(NC(COC1OC(CO)C(O)C(O)C1O)C(O)CCCCCCCCCCCCCC)C(O)CCCCCCCCCCC=CCC=CCCCCC 530 True True False False False null null 94.3 100 null null null 118.65 P. cold 1 782.61176:6560 783.61511:3183 784.61847:888 72127 64399 69497 0 0 0 0 31421 31580 30371 26902 27515 25614 28033 0 5016 2406 9220 6561 11418 8863 63761 64898 64890 0 0 5547.41243489583 8947.63411458333 64516.125 68674.2838541667 28776.6724330357 0 0 3437.91420713233 2429.4468180502 654.301066171278 3929.34492799127 2347.16285252549 842 6.14 782.6377 w/o MS2:SL 12:2;O/34:0;O [M-H]- 0.875 True 13.4 782.63379 C46H89NO6S SL SZXZNZNADPCJTC-UHFFFAOYSA-N O=C(N(CC(O)C=CCCC=CCCC)CS(=O)(=O)O)C(O)CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC 530 True True False False False null null 62.9 99.7 null null null 114.97 IS 2 782.6377:13243 783.64105:6071 784.64441:1390 78.95755:106 168.04037:77 676.58289:26 682.9884:34 717.89453:8 717.96649:23 718.12427:20 722.31079:17 722.41791:81 722.48016:54 722.61603:6506 722.75208:36 722.88202:19 722.93854:38 723.06262:28 723.10498:42 723.18903:42 723.2644:25 723.31873:44 723.36517:27 723.42883:25 723.50128:16 723.56006:176 723.6181:150 723.6662:20 723.70911:9 723.78345:18 723.86707:12 723.97656:14 724.14606:14 724.75061:5 738.32367:11 781.81494:7 782.461:29 782.55768:51 782.6358:910 782.81866:31 44916 46219 45679 0 0 84337 124287 46722 43221 41185 42540 42526 46193 45428 0 48187 46140 56206 49684 52184 34620 45100 39740 45995 0 104311.91796875 50177.8424479167 45496.1484375 43611.58984375 45604.7161458333 43973.4525669643 0 28248.6562676314 5320.02535752346 9501.49033057762 3382.6113837873 654.520087582521 2124.85556843727 843 5.637 785.49731 w/o MS2:PG 14:0_22:4;1O [M-H]- similar chromatogram in higher mz_863 0.417 False 8.21 785.49738 C42H75O11P OxPG HLWOMXXSQIGVEO-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCCC(O)C=CCC=CCC=CCC=CCC)COP(=O)(O)OCC(O)CO)CCCCCCCCCCCCC 530 True True False False False null null 100 100 null null null 93.45 P. room temp 2 785.49731:6868 786.50066:4764 787.50402:3133 42919 43851 43020 0 0 0 0 25844 26230 24258 27155 26014 24835 24344 0 2335 2258 5707 5621 5380 5354 44262 58467 53571 0 0 3432.96875 5451.77522786458 52100.2682291667 43263.08203125 25525.642578125 0 0 1969.39660182759 147.152915079442 7215.9880765674 511.38999310886 1078.0372229928 844 6.06 785.54163 w/o MS2:CL 14:1_17:2_28:0_22:6 [M-H]- ion correlated with 1080 0.125 False 13.62 785.54138 C90H158O17P2 CL VIOHKYZVXMJFNE-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCC)COP(=O)(O)OCC(O)COP(=O)(O)OCC(OC(=O)CCCCCCCC=CCCCC)COC(=O)CCCCCCCC=CCC=CCCCC)CCC=CCC=CCC=CCC=CCC=CCC=CCC 530 True True False False False null null 100 99.7 null null null 69.99 P. room temp 3 785.54163:3772 786.54498:2239 787.54834:895 21953 20446 19575 0 0 0 0 13226 12336 11671 12273 13228 14807 15066 0 5680 6288 5087 9626 8745 8200 25101 25361 26698 0 0 5685.232421875 8856.64713541667 25720.087890625 20658.0364583333 13229.7269810268 0 0 600.779552167024 719.513655543113 856.863838647317 1203.26785433154 1291.30282826846 845 8.711 785.63062 Unknown [M+Hac-H]- adduct linked to 825_[M+FA-H]- 0.542 True null null null null null null 999 False False False False False null null null null null null null 282.37 B. room temp 1 785.63074:26882 786.63409:19133 787.63745:4492 37.69283:10 58.96988:29 59.01394:12076 59.0518:52 59.07871:23 59.092:42 59.10794:7 59.11591:14 59.13242:23 59.13982:29 59.15311:15 59.16374:27 59.2036:15 59.21409:18 59.24096:14 59.25704:15 59.28232:8 59.31534:8 59.40057:5 59.44588:19 59.74457:11 59.76968:20 59.83274:19 60.1834:9 61.98769:115 90.99802:24 116.92979:52 178.7271:27 303.23477:41 741.35907:19 753.45074:13 785.41461:22 785.48395:21 785.54718:46 785.62842:1132 785.75342:34 785.84076:21 785.86023:53 785.93762:9 786.08295:19 2298 1880 1217 0 0 0 0 46260 46089 46274 43285 46419 44430 44780 0 173938 189993 114905 135097 145375 133433 276 241 384 0 0 159611.609375 137968.369791667 300.09071858724 1798.37910970052 45362.41796875 0 0 39540.9220011673 6467.71341842496 74.7161087829259 545.288857255404 1211.48444059118 846 6.529 785.77368 Unknown [M-H]- 0.333 False null null null null null null 999 False False False False False null null null null null null null 140.83 IS 2 785.77368:16265 786.77703:7751 787.78039:1522 32778 36980 35166 0 0 128447 149052 22639 24323 21935 21138 23490 21705 23047 0 10576 12333 19017 21944 18003 12633 34909 32869 30677 0 138749.21484375 13975.17578125 17526.57421875 32818.6966145833 34974.5963541667 22610.9369419643 0 14569.7197797514 4453.64300252398 4673.76862903687 2116.37310808715 2107.29733439472 1106.11142420518 847 5.687 786.50543 w/o MS2:PE O-18:3_22:6;1O [M-H]- 0.542 False 8.44 786.50787 C45H74NO8P EtherOxPE CYWGBIKHVMFXAW-UHFFFAOYSA-N O=C(OC(COCCCCCCCCC=CCC=CCC=CCC)COP(=O)(O)OCCN)CCC=CC=CC(O)CC=CCC=CCC=CCC=CCC 530 True True False False False null null 97.1 100 null null null 79.1 P. cold 3 786.50543:5964 787.50878:3768 788.51214:938 49831 50415 56047 0 0 0 0 31585 32328 30048 32353 31461 33394 31402 0 17505 20302 19530 29173 28506 29701 40494 43480 44651 0 0 19112.1295572917 29126.7923177083 42875.1809895833 52097.4596354167 31795.9079241071 0 0 1444.60180058998 598.8283965529 2143.36348826354 3432.6146170028 1041.97354828521 848 3.998 786.5105 PE 40:8|PE 20:4_20:4 [M-H]- ion correlated with 107 0.542 True 8.53 786.50787 C45H74NO8P PE AXKKDIYHTGSBKS-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCC=CCC=CCC=CCC=CCC)COP(=O)(O)OCCN)CCCCCCC=CCC=CCC=CCC=CCC 410 True True True False False null null 100 99.9 71.7 68.2 100 380.5 B. cold 3 786.5083:25562 787.51165:12880 788.51501:2898 61.98889:22 62.19947:9 141.12416:25 152.99678:38 259.24228:70 303.23273:631 303.45721:14 304.23883:25 482.25931:24 500.27963:53 781.97681:14 784.12177:5 785.65295:18 786.0791:12 786.2915:57 786.50806:14437 786.65613:103 786.70953:29 786.76599:26 786.80042:50 786.84613:47 786.8949:53 786.92841:66 786.98047:37 17286 17671 18276 0 0 0 0 86806 83920 83000 85748 87628 87250 86173 0 249591 258732 207508 218840 231647 202796 20692 19721 21881 0 0 238610.182291667 217760.598958333 20764.822265625 17744.10546875 85789.3381696429 0 0 27320.4276990366 14455.74975145 1081.53069415474 498.839797610989 1730.6987460947 849 7.409 786.55573 w/o MS2:RIKEN N-VS1 ID-5768 from Mouse_Feces_WT_ABX_Ctr [M-H]- ion correlated with 583 0.25 False 12.48 786.55389 Unknown 530 True True False False False null null 98.3 99.9 null null null 76.95 P. room temp 1 786.55573:4527 787.55908:3186 788.56244:1159 26460 30043 29991 0 0 0 0 12908 13047 12827 12349 12758 12423 12192 0 1880 558 1737 1696 878 0 35381 30346 29412 0 0 1391.58292643229 858.025573730469 31712.9759114583 28831.3502604167 12643.6704799107 0 0 725.864890834388 848.258068945035 3210.39830526545 2054.14505464597 321.329727552882 850 3.817 787.46716 SQDG 32:3|SQDG 16:0_16:3 [M-H]- 0.792 True 7.64 787.46722 C41H72O12S SQDG KVURRGLNPIVHBL-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCC=CCC=CCC=CCC)COC1OC(CS(=O)(=O)O)C(O)C(O)C1O)CCCCCCCCCCCCCCC 410 True True True False False null null 100 99.9 97.1 83.9 100 268.61 P. cold 2 787.4671:17562 788.47045:11640 789.47381:3204 61.97652:24 80.96588:97 96.96201:36 225.00542:203 249.19009:27 301.20325:8 537.27289:37 558.92786:24 646.97534:22 720.03473:11 727.34851:14 755.44141:14 768.99762:23 783.18634:25 786.25275:13 786.33044:42 786.60449:8 787.0332:19 787.16577:15 787.25256:67 787.28809:31 787.46722:14930 787.6424:38 787.78302:72 787.83466:44 787.91284:56 118128 118292 127918 0 0 0 0 75992 77874 79197 77618 80901 78506 76796 0 89626 95637 85469 90110 103369 90482 112120 93836 116983 0 0 90243.8723958333 94653.5755208333 107646.307291667 121445.861979167 78126.3984375 0 0 5112.21437837697 7550.09779968514 12205.0005398807 5605.75050664558 1614.44209705056 851 9.115 787.64624 Unknown [M+Hac-H]- adduct linked to 829_[M+FA-H]- 0.792 True null null null null null null 999 False False False False False null null null null null null null 298.8 QC-2 787.6452:7952 788.64855:6153 789.65191:2230 59.0137:4410 59.04441:23 59.0583:9 59.06813:16 59.31795:6 59.46957:13 59.72588:10 60.01718:46 61.99286:8 112.98504:32 256.99686:34 786.94806:24 787.50159:14 36779 41769 60741 0 0 0 0 35565 54956 55303 48423 47266 50151 51120 0 299973 302807 143993 190559 218728 175369 51205 37791 39043 0 0 248924.359375 194885.364583333 42679.9921875 46429.6484375 48969.0128348214 0 0 90884.1710982236 22001.2634232019 7409.47951740585 12643.0742141753 6643.92398856267 852 2.613 789.44275 Unknown [M+Hac-H]- ion correlated with 858; ion correlated with 725; adduct linked to 725_[M-H]- 0.542 True null null null null null null 999 False False False False False null null null null null null null 154.56 P. cold 1 789.44275:12158 790.4461:6358 791.44946:1759 69.03541:25 81.03442:54 83.01721:22 89.02341:37 95.03576:50 95.7214:17 117.07575:12 163.11403:14 189.07169:31 189.09125:903 207.10017:415 235.08298:40 253.09409:125 253.39722:9 259.23929:30 279.233:14 303.16806:42 303.23331:396 303.64935:6 304.23453:21 304.75143:19 395.00653:22 418.86295:9 425.18063:44 443.18799:45 539.31732:84 625.38873:19 729.18085:36 729.24805:19 729.34253:150 729.42084:5161 729.50665:17 729.58636:19 729.6474:22 729.70917:47 729.83051:39 729.88672:36 729.95184:20 730.11053:49 730.17126:6 730.31696:16 730.3728:69 730.42206:201 730.58679:23 730.66156:12 730.9848:17 735.77124:22 779.92236:35 788.98059:40 789.44141:303 789.49237:37 789.59174:6 789.72833:7 97514 97645 117285 0 0 0 0 34421 32882 31859 32685 31677 29614 30377 0 288 242 333 1392 2071 2245 94061 93714 94639 0 0 287.259704589844 1902.64754231771 94137.9348958333 104147.997395833 31930.6729910714 0 0 45.4484514586327 450.788431886311 467.434004283159 11377.0398329591 1608.64759661188 853 4.239 789.48431 SQDG 32:2|SQDG 16:0_16:2 [M-H]- 0.792 True 7.79 789.48279 C41H74O12S SQDG HVISWFJQQBAJGA-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCCC=CCC=CCCC)COC1OC(CS(=O)(=O)O)C(O)C(O)C1O)CCCCCCCCCCCCCCC 410 True True True False False null null 100 99.9 89.9 84.4 100 437.65 QC-3 789.48267:15722 790.48602:10237 791.48938:2885 87.00385:24 92.14595:7 122.9732:25 124.0178:42 135.98364:30 141.01785:38 153.08308:6 166.02168:40 224.97939:6 225.00919:143 275.21103:7 281.24921:49 303.25201:16 336.9649:50 385.35767:34 442.96866:45 533.23645:16 537.22949:17 537.28156:5 707.0257:10 770.02405:16 775.59918:18 784.31915:11 784.37244:7 784.65863:18 788.59259:12 788.99915:8 789.08759:32 789.18585:10 789.36084:266 789.42822:577 789.48145:10420 789.67004:28 789.72101:36 789.76862:48 789.91571:41 111275 115987 117291 0 0 0 0 99729 110528 103540 108277 107927 103060 102113 0 212799 220875 168552 202684 236820 205663 131307 102184 147787 0 0 200741.776041667 215055.598958333 127092.703125 114851.036458333 105025.020089286 0 0 28168.532698688 18906.9924952622 23091.9536403797 3164.64812213915 3912.9094474795 854 6.583 789.52869 w/o MS2:PG 18:0_18:2;1O [M-H]- 0.083 False 8.64 789.52869 C42H79O11P OxPG ROPNNMWPDXMCOQ-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCC(O)C=CCC=CCCCCC)COP(=O)(O)OCC(O)CO)CCCCCCCCCCCCCCCCC 530 True True False False False null null 100 100 null null null 62.46 P. room temp 2 789.52869:3134 790.53204:1650 791.5354:1611 20863 20971 22739 0 0 0 0 16033 16089 15572 16922 16724 16045 17034 0 8106 11803 8188 11168 11223 12626 26069 28403 29389 0 0 9366.10530598958 11672.4274088542 27953.7037760417 21524.0859375 16345.7057756696 0 0 2111.20890358972 825.911818109793 1704.89779374908 1053.33380701702 548.098631944173 855 4.671 791.49725 w/o MS2:SM 36:8;3O [M+FA-H]- ion correlated with 875; adduct linked to 875_[M+CH3COO]- 0.792 True 6.81 791.49811 C41H69N2O7P SM RYXIPUGSLMFQFI-UHFFFAOYSA-N O=C(NC(COP(=O)([O-])OCC[N+](C)(C)C)C(O)C(O)C=CCCC=CCC)CCCCC=CCC=CCC=CCC=CCC=CCC=CCC 530 True True False False False null null 99.9 100 null null null 901.14 P. room temp 3 791.49725:83698 792.5006:54844 793.50396:12832 44.99787:2180 45.02758:9 45.15542:9 46.92309:26 94.98169:28 119.03848:41 164.99007:52 204.7762:13 224.99001:22 225.01006:70 235.05603:13 235.08231:44 249.14084:61 249.18512:4062 249.27724:12 249.30998:19 249.34805:43 249.40387:13 249.44093:9 249.47368:13 249.95966:15 250.08492:11 250.18916:78 253.06523:11 253.09428:126 277.15811:130 277.21622:4833 277.36475:19 277.40433:27 277.4855:17 277.61221:29 277.82535:19 277.90021:18 278.01532:5 278.06152:11 278.2171:29 278.30356:26 278.73029:15 434.58597:38 436.38535:25 467.2251:16 467.26999:8 485.17807:27 485.22177:23 485.27621:263 513.23206:49 513.30579:933 513.63843:6 513.88397:5 514.31207:40 537.27258:44 621.93634:9 713.55792:10 745.36011:112 745.48785:3501 745.55615:45 745.62671:13 745.68231:10 745.78644:29 745.85199:15 745.87909:29 745.92596:21 746.02069:9 746.07892:22 746.1366:10 746.18182:27 746.28497:8 746.46429:33 746.49188:67 747.11584:6 747.15363:23 747.47614:15 757.46521:21 780.09448:6 786.61572:15 786.71948:8 786.88422:6 787.08295:8 787.53864:10 788.0575:19 788.30975:26 788.85852:6 789.39673:16 789.82587:16 790.05701:25 790.49316:8 790.89612:25 790.93115:30 790.98987:18 791.07715:23 791.24231:59 791.27319:80 791.49603:33404 791.86273:82 791.90619:59 791.97821:68 583403 594929 599620 0 0 0 0 332085 317726 311030 313636 315079 302589 309249 0 125513 127190 116957 126162 148797 131294 608778 582395 615615 0 0 123220.09375 135417.619791667 602262.916666667 592650.666666667 314484.790178571 0 0 5488.34472238097 11867.6131903605 17542.1775852084 8345.42247290705 9148.60795472989 856 4.956 791.49896 Unsettled: SQDG 18:0_14:1 [M-H]- adduct linked to 985_[M+Hac-H]- 0.25 True 8.08 791.49847 C41H76O12S SQDG GRXZEPXAZMODAP-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCCC=CCCCC)COC1OC(CS(=O)(=O)O)C(O)C(O)C1O)CCCCCCCCCCCCCCCCC 530 True True False False True null null 76.1 100 100 80.7 33.3 178.09 B. cold 1 791.49896:20357 792.50231:13839 793.50567:3899 69.52127:13 125.02378:20 164.98598:36 225.00537:67 225.89188:10 340.95279:30 419.35611:35 530.19647:9 770.99133:12 786.29242:8 786.35052:15 786.42535:9 790.42059:19 790.62946:24 791.0376:12 791.25336:69 791.49841:17207 791.64093:97 791.70441:78 791.83331:63 791.88531:44 791.92249:57 4493 4778 5152 0 0 0 0 8681 8809 7351 8481 8875 7996 9759 0 68495 80262 41972 121736 75319 51980 4546 4977 5819 0 0 63576.0338541667 83011.7890625 5114.02783203125 4807.51774088542 8564.64711216518 0 0 19613.1264206794 35508.3754005841 647.572145462364 330.133935988075 752.519944665459 857 6.536 791.55457 w/o MS2:RIKEN N-VS1 ID-5858 from Mouse_Kidney_WT_N_F1AA [M-H]- 0.083 False 10.16 791.55121 Unknown 530 True True False False False null null 94.5 99.9 null null null 67.45 IS 2 791.55457:3624 792.55792:1650 793.56128:444 4434 5674 5383 0 0 27549 33113 3237 5761 4817 4041 4537 4054 8570 0 6599 5415 7832 4197 4481 2048 5642 5323 4446 0 30330.703125 6615.22786458333 3575.53759765625 5137.08317057292 5163.56884765625 5002.43150111607 0 3934.32555770677 1208.28100777438 1330.11198452516 619.694548617539 648.474649403498 1755.65875498496 858 2.609 792.41779 Unknown [M-H]- ion correlated with 725; ion correlated with 852 0.542 True null null null null null null 999 False False False False False null null null null null null null 159.02 P. cold 1 792.41766:12342 793.42101:7128 794.42437:1629 61.988:5927 62.02546:21 62.05259:10 62.09366:15 62.11521:20 62.15694:33 62.17786:16 62.19421:14 62.2351:13 84.05441:22 189.09302:94 190.08083:26 209.12009:29 210.10992:13 236.08472:24 305.2175:24 305.24155:33 306.24411:62 495.33948:14 732.42786:41 753.00378:40 792.25531:13 792.39148:28 96723 97746 113214 0 0 0 0 38426 40506 40590 43143 40890 37490 41432 0 0 0 230 1628 2538 2916 89152 52833 76159 0 0 76.7062530517578 2360.81962076823 72714.6510416667 102560.833333333 40353.765625 0 0 132.85912754388 662.067152169116 18403.0711128978 9239.90305490981 1881.00312503688 859 6.896 792.57471 w/o MS2:PC O-14:0_18:1;1O [M-H]- 0.167 False 8.85 792.57599 C40H80NO8P EtherOxPC ZXSYVYYXTGCZIT-UHFFFAOYSA-N O=C(OC(COCCCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C)CCCCCCC(O)C=CCCCCCCCC 530 True True False False False null null 99.2 100 null null null 93.07 P. room temp 1 792.57471:6133 793.57806:3487 794.58142:1201 11774 16515 23384 0 0 0 0 16537 12625 10785 14884 16775 12846 16055 0 39508 32054 22648 22234 24097 20811 65602 47217 47938 0 0 31403.5384114583 22380.5494791667 53585.4908854167 17224.1946614583 14357.9077845982 0 0 8449.11798311683 1648.07634405193 10412.5911862006 5837.67095025741 2302.18535485179 860 8.34 792.63293 w/o MS2:HexCer 17:0;2O/24:3 [M+Hac-H]- ion correlated with 1105; adduct linked to 693_[M-H2O-H]- 0.25 False 11.43 792.63593 C47H87NO8 HexCer_NDS HMQGJERQWQWFKL-UHFFFAOYSA-N O=C(NC(COC1OC(CO)C(O)C(O)C1O)C(O)CCCCCCCCCCCCCC)CCCCCCCCC=CCC=CCC=CCCCCCCC 530 True True False False False null null 95.6 100 null null null 81.99 B. cold 1 792.63293:4776 793.63628:2376 794.63964:701 614 687 583 0 0 0 0 21713 19527 18598 19224 18815 22701 19887 0 47751 46941 41532 49767 38925 38950 360 238 265 0 0 45408.1380208333 42547.3697916667 287.78232828776 628.135396321615 20066.4447544643 0 0 3381.11485771345 6252.16911259059 64.1147988344545 53.0415034497791 1549.87240929063 861 5.166 793.51593 MGDG 34:5|MGDG 16:2_18:3 [M-H]- adduct linked to 879_[M+CH3COO]-; similar chromatogram in higher mz_1270 0.792 True null null null null null null 999 True False False False True null null null null null null null 5762.06 P. room temp 1 793.51593:435149 794.51928:274723 795.52264:94302 43.01519:15 44.98764:76 44.99775:1420 59.01467:45 71.01299:11 79.95759:81 80.96489:455 85.41543:9 94.97566:74 97.02555:50 99.00372:56 101.02591:71 106.97989:75 116.35857:31 123.26806:11 125.02369:36 133.45251:35 148.97626:18 152.9847:81 159.09776:29 160.36661:45 160.73891:47 164.98402:132 167.49359:31 188.99376:15 206.99779:37 225.00616:739 225.10815:8 235.08228:96 249.1241:10 249.15022:70 249.1852:1153 249.51846:9 249.55968:5 250.0723:10 251.20094:846 253.09126:76 254.00134:24 254.0954:11 255.23164:117 255.30302:6 255.4362:51 277.21619:990 277.30096:10 279.23178:919 279.53802:11 301.03412:7 346.94089:21 392.4259:23 415.64972:29 423.91132:21 462.17398:35 485.27615:126 487.23581:15 487.29117:97 488.60062:26 488.96011:53 512.29755:19 513.2373:22 513.30133:111 515.32324:296 536.92725:34 537.27545:153 600.89117:5 616.02869:20 636.4198:8 642.16644:23 692.23816:33 731.17731:36 735.80499:32 736.47064:9 737.99994:24 738.07501:15 744.11414:20 745.48132:32 747.33679:51 747.50439:1789 747.70972:15 747.8053:14 747.9743:7 748.41632:58 748.50378:22 748.57922:9 748.80139:8 748.89124:25 762.48395:14 769.90796:16 787.95911:13 788.03674:30 788.23071:25 788.29865:47 788.36664:48 788.43451:32 788.50238:28 788.5412:24 788.58069:38 788.61853:47 788.66968:48 788.72559:22 788.80627:29 788.86145:42 788.95703:53 788.99005:61 789.05554:31 789.11066:14 789.15771:45 789.23529:16 789.36084:29 789.42023:38 789.66821:41 789.77399:12 789.93909:23 790.06378:21 790.14307:12 790.18188:18 790.25958:19 790.37469:32 790.42529:10 790.54626:14 790.59961:14 790.7063:18 790.76471:33 790.83301:28 790.90063:35 791.05493:27 791.09521:36 791.19238:42 791.24103:55 791.30902:16 791.36249:16 791.53503:21 791.62982:12 791.71735:25 791.8631:31 791.94098:11 792.00079:55 792.08344:37 792.21326:24 792.29108:21 792.32996:22 792.45923:30 792.49536:22 792.59259:22 792.62677:29 792.68304:32 792.73438:29 792.77747:27 792.83582:10 792.92297:39 793.00122:47 793.03192:73 793.12622:98 793.18066:116 793.51459:294781 2321248 2544947 3018939 17612 7926 2642 1520 1570880 1560698 1522848 1494186 1483098 1467295 1471102 0 2250369 2177978 1586173 2281152 2304474 1901338 3250621 2638662 3032990 8512.705078125 2080.83416748047 2004840.125 2162321.58333333 2974091 2628378 1510015.33928571 8820.75755323639 793.092502216906 364378.668265819 226318.823697667 310201.582844829 356249.290902189 42332.7705286191 862 7.893 794.61267 w/o MS2:CL 12:0_15:0_26:0_28:0 [M+Hac-H]- ion correlated with 1051; adduct linked to 697_[M-H2O-H]- 0.75 False 14.62 794.61188 C90H176O17P2 CL XLPNHNAJLDKIKS-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCCCCCC)COP(=O)(O)OCC(O)COP(=O)(O)OCC(OC(=O)CCCCCCCCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCC 530 True True False False False null null 99.7 99.8 null null null 135.56 B. room temp 3 794.61267:9296 795.61602:4014 796.61938:1196 25233 26505 27957 0 0 0 0 68111 65830 65646 64397 64527 65707 66102 0 98924 96805 91472 87948 93958 85590 30209 26086 28256 0 0 95733.8125 89165.4401041667 28183.861328125 26564.9361979167 65759.94140625 0 0 3839.78740190249 4314.88159819493 2062.28382950578 1363.31509304078 1227.6467083971 863 5.629 795.52759 Unknown [M+FA-H]- adduct linked to 883_[M+CH3COO]- 0.792 True null null null null null null 999 True False False False True null null null null null null null 981.95 P. room temp 2 795.52759:99843 796.53094:59466 797.5343:15391 31.43621:18 44.99789:3291 45.01609:11 45.12744:6 45.24357:15 88.23588:20 108.28854:49 130.94563:17 161.04573:28 179.04504:27 235.05579:69 235.08022:232 251.12428:35 251.16185:110 251.20131:4756 251.28857:22 251.30087:19 251.35297:8 251.40363:12 251.44211:23 251.48543:21 251.52948:9 251.56801:29 251.60039:22 251.63379:15 252.20416:59 253.09285:92 277.21512:106 279.11078:26 279.23297:5445 279.32028:25 279.34753:7 279.38217:17 279.40527:18 279.44443:44 279.46881:24 279.53235:14 279.55563:8 279.63293:8 279.73169:11 279.85596:30 280.20291:9 280.23761:49 280.33002:9 293.24991:37 449.58792:20 469.27814:32 487.22693:32 487.28955:309 487.66177:18 497.31607:26 515.20825:40 515.32019:866 515.39337:24 515.62982:7 515.8092:7 516.30341:26 516.32172:106 744.8576:7 745.07611:25 748.85364:33 749.05225:8 749.28589:19 749.38715:40 749.51971:6569 749.62921:42 749.70477:29 749.75165:24 749.78357:52 749.83765:57 749.91309:27 749.96094:30 750.02661:32 750.16846:27 750.27283:34 750.32953:19 750.37683:14 750.4715:26 750.52448:109 750.63123:13 750.66956:18 750.89746:20 750.97455:24 751.1153:7 751.29187:10 751.43732:9 751.69031:9 751.78784:22 790.289:13 790.58044:7 790.62903:10 790.74561:13 790.82336:19 791.32819:18 792.27185:8 792.75824:15 792.797:27 793.10852:27 794.15015:12 794.87085:57 795.16583:7 795.33057:93 795.52698:39710 795.82953:100 795.90936:88 795.97479:38 706580 703383 691803 0 0 0 0 346729 320217 312850 322305 325155 331062 327790 0 28935 33039 45375 51729 56769 54080 707431 746129 744745 0 0 35782.9811197917 54192.49609375 732768.5 700588.791666667 326586.714285714 0 0 8556.91940059918 2522.26654554573 21953.6012938545 7774.66122386264 10621.2547884909 864 2.458 795.56238 w/o MS2:DGGA 14:0_22:2 [M-H]- 0.042 False 9.77 795.56281 C45H80O11 DGGA QMJXMRFRNWUDAT-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCCCCCCCC)COC1OC(C(=O)O)C(O)C(O)C1O)CCCCCCCCCCCC=CCC=CCCCCC 530 True True False False False null null 99.9 99.7 null null null 61.86 B. cold 2 795.56238:3093 796.56573:2084 797.56909:523 250 0 0 0 0 0 0 5625 6405 5675 7212 6033 6804 6603 0 14999 16233 12798 9342 20595 17737 259 0 289 0 0 14676.552734375 15891.1806640625 182.647430419922 83.2176208496094 6336.62451171875 0 0 1740.0614110578 5849.32128449134 158.895904862509 144.137147396527 591.241679593416 865 8.375 796.62781 w/o MS2:HexCer 16:0;2O/24:2;O [M-H]- ion correlated with 1116; adduct linked to 952_[M-H]- 0.792 False 10.84 796.6308 C46H87NO9 HexCer_HDS VOUUHYYEGQJVKY-UHFFFAOYSA-N O=C(NC(COC1OC(CO)C(O)C(O)C1O)C(O)CCCCCCCCCCCCC)C(O)CCCCCCCCCCC=CCC=CCCCCCCC 530 True True False False False null null 95.6 100 null null null 158.31 P. cold 1 796.62781:11230 797.63116:4601 798.63452:1094 123452 108743 108803 1984 0 0 0 87115 85650 85027 83261 86768 76771 76595 0 40794 38066 44609 35994 46982 40940 98129 102019 112081 661.346354166667 0 41156.2291666667 41305.2994791667 104076.252604167 113665.971354167 83026.8883928571 1145.48548681711 0 3286.29773669845 5503.11094883971 7199.72479799683 8475.07826625938 4512.02420043478 866 6.14 796.6543 w/o MS2:SL 12:2;O/35:0;O [M-H]- 0.875 True 13.4 796.64941 C47H91NO6S SL AUWSSPMUNMOMLY-UHFFFAOYSA-N O=C(N(CC(O)C=CCCC=CCCC)CS(=O)(=O)O)C(O)CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC 530 True True False False False null null 61.7 99.7 null null null 346.2 IS 2 796.6543:35372 797.65765:16774 798.66101:3690 48.08083:19 59.01213:44 78.94089:40 78.95903:81 79.0405:8 122.98458:38 126.90481:21 168.04189:420 496.36954:33 651.54376:55 677.47552:9 677.57196:44 718.47583:16 721.59125:13 721.6748:7 721.71368:23 722.04755:25 722.22253:38 722.30615:20 722.34283:16 722.44281:60 722.61707:20123 722.82074:30 722.88226:20 722.92273:27 723.04535:66 723.12189:23 723.21655:34 723.24554:20 723.30383:33 723.44855:55 723.47589:37 723.54999:76 723.62024:324 723.71161:24 723.79279:35 723.82043:20 723.89185:24 723.95953:24 724.00659:16 724.09027:5 724.13947:18 724.16473:23 724.25726:23 724.38049:6 724.45294:25 724.63062:22 724.6839:20 724.7785:16 724.82501:25 724.99146:22 725.36469:10 725.41785:10 725.63477:15 725.83942:10 725.94177:23 726.17889:7 727.84564:14 730.58557:6 737.52277:31 737.5777:126 796.57312:26 796.65179:808 796.76337:5 797.08551:24 797.13397:7 139120 140400 140007 0 0 218581 327351 125401 129124 130978 119974 117632 123794 129385 0 151659 141335 165673 159345 166676 100643 141303 127300 142786 0 272965.6953125 152889.026041667 142221.3046875 137129.731770833 139842.4375 125184 0 76912.1261236388 12215.5607240244 36193.6246522179 8544.80437115756 656.179249720434 5048.18274448623 867 6.139 797.54242 w/o MS2:SM 36:5;3O [M+FA-H]- ion correlated with 915; adduct linked to 888_[M+CH3COO]- 0.792 True 8.26 797.54498 C41H75N2O7P SM NNOYSLWSLQMAKD-UHFFFAOYSA-N O=C(NC(COP(=O)([O-])OCC[N+](C)(C)C)C(O)C(O)CCCC=CCCC)CCCCCCCCCCC=CCC=CCC=CCC=CCC 530 True True False False False null null 70.6 100 null null null 189.88 P. cold 1 797.54242:16742 798.54577:8986 799.54913:1693 44.99793:695 75.35186:24 78.96037:35 158.98149:9 168.04422:38 251.20113:73 252.20944:20 253.09705:14 253.19299:31 253.21774:66 255.20335:54 255.23326:393 277.18781:48 277.21686:179 279.2337:119 281.24509:126 282.23694:30 327.21021:36 362.28693:27 489.30313:38 491.32309:95 513.30121:45 514.27203:14 517.33746:26 721.61169:45 722.52808:7 722.61292:295 722.76532:6 723.46649:34 723.50891:21 723.61755:1308 723.91516:12 724.11627:17 724.32166:21 724.3584:14 724.47913:31 724.53571:13 725.01874:6 725.14972:35 726.51172:20 737.0058:12 745.56696:11 751.18188:9 751.21021:8 751.32397:13 751.46606:20 751.53583:822 751.90186:8 751.97766:6 752.08191:17 752.19562:15 752.42932:5 752.54333:31 792.67419:21 796.65503:79 797.32703:34 797.36713:12 797.43158:79 797.54181:3530 797.65479:2124 797.80414:33 797.91748:35 797.9903:14 798.03015:21 149357 149471 148473 0 0 0 0 84411 82120 78219 75929 78251 73303 74452 0 31833 35274 38293 36363 39554 38314 142537 149820 155157 0 0 35133.1080729167 38076.8580729167 149170.942708333 149100.578125 78097.7377232143 0 0 3232.45687094994 1608.8844296756 6334.92378693792 546.074457143108 4021.9584154416 868 6.613 797.60742 w/o MS2:PA 15:0_28:2 [M+FA-H]- adduct linked to 889_[M+CH3COO]- 0.875 False 13.21 797.60663 C46H87O8P PA KMIRKGKOIPVYOI-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCCCCCCCCCCC=CCC=CCCCCCCC)COP(=O)(O)O)CCCCCCCCCCCCCC 530 True True False False False null null 99.7 99.8 null null null 176.86 B. room temp 2 797.60742:15026 798.61077:8207 799.61413:2405 84144 82886 84632 0 0 76607 104540 89670 84789 84316 79856 82114 83591 83813 0 143340 149873 121985 124689 140983 106241 81453 75747 86661 0 90573.42578125 138399.028645833 123971.203125 81287.0963541667 83887.5338541667 84021.3125 0 19751.0557674393 14585.7247060844 17382.4364753483 5458.46922447644 900.855179111095 2994.45340261629 869 6.586 799.55835 Unknown [M+FA-H]- adduct linked to 890_[M+CH3COO]-; similar chromatogram in higher mz_1012; similar chromatogram in higher mz_1216; similar chromatogram in higher mz_1232 0.792 True null null null null null null 999 True False False False True null null null null null null null 280.94 P. room temp 2 799.55835:30168 800.5617:17192 801.56506:4546 44.99776:1254 45.21098:19 101.02523:18 131.44035:38 158.97829:12 168.47893:9 235.08633:49 253.09393:50 255.19244:56 255.2052:53 255.23294:704 255.36832:8 255.46878:10 255.60133:19 256.23691:78 279.23254:967 279.37637:7 279.43988:8 279.60172:24 279.67682:8 279.76852:9 279.93842:24 281.24658:99 311.20325:24 491.32275:324 515.2796:18 515.32275:124 516.32721:29 737.61536:57 739.58746:65 753.31403:17 753.39935:18 753.55206:1549 753.75964:24 753.81726:10 753.94299:16 754.07294:22 754.51709:34 754.53931:28 754.62335:41 755.02441:21 755.62628:74 755.88635:33 781.60938:5 794.80273:13 795.67969:7 797.83527:32 798.83112:23 799.13544:21 799.30969:67 799.55804:10062 799.70258:24 799.74927:37 799.78845:38 799.81781:33 799.94482:47 800.02515:53 160254 159250 151208 0 0 0 0 106615 98993 95194 94895 90915 92277 93400 0 25421 24890 32011 38165 33951 34229 199560 216710 219916 0 0 27440.619140625 35448.5091145833 212062.135416667 156903.947916667 96041.4676339286 0 0 3966.80497819144 2356.91339410669 10945.1060194471 4958.75043779965 5322.42822988691 870 8.902 799.6463 Unknown [M-H]- similar chromatogram in higher mz_958 0.5 True null null null null null null 999 False False False False False null null null null null null null 148.94 B. room temp 1 799.64569:14718 800.64904:10100 801.6524:2774 44.9977:52 59.01389:6211 59.06987:15 59.10295:21 59.11891:11 59.1554:12 59.20584:10 59.21224:9 59.23277:14 59.25138:13 59.31329:12 59.32854:11 59.39643:7 59.41355:12 59.42839:8 59.65368:18 165.03494:59 279.1593:36 337.21866:31 506.37451:23 515.22266:22 588.44849:39 671.47968:29 739.43036:22 799.4613:30 799.49396:41 799.53351:43 799.64313:805 799.82062:14 799.95746:28 0 0 0 0 0 0 0 23588 22695 22275 23360 22041 22257 22557 0 102043 111490 60646 72995 80709 66944 0 245 0 0 0 91392.8567708333 73549.6171875 81.7720336914063 0 22681.806640625 0 0 27043.4394518185 6899.10737138593 141.63331699175 0 584.838948100111 871 7.012 801.57294 w/o MS2:CL 15:0_18:1_28:0_22:6 [M+FA-H]- adduct linked to 898_[M+CH3COO]-; similar chromatogram in higher mz_1044 0.375 False 14.01 801.57269 C92H166O17P2 CL XSTWXCGIEWCORG-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCC)COP(=O)(O)OCC(O)COP(=O)(O)OCC(OC(=O)CCCCCCCCCCCCCC)COC(=O)CCCCCCCC=CCCCCCCCC)CCC=CCC=CCC=CCC=CCC=CCC=CCC 530 True True False False False null null 100 99.8 null null null 100.27 P. cold 2 801.57294:7477 802.57629:4216 803.57965:1301 51584 51981 50367 0 0 0 0 22876 23745 22636 19349 20429 18984 18268 0 3836 5596 4577 3379 3536 3350 42484 41555 44789 0 0 4669.52180989583 3421.67106119792 42942.7513020833 51310.6484375 20897.9606584821 0 0 883.412333231718 99.8942989693284 1664.98980145849 840.788065502061 2169.44870874971 872 6.375 802.56104 Unknown [M-H]- ion correlated with 692 0.333 True null null null null null null 999 True False False False True null null null null null null null 128.6 P. room temp 1 802.56104:8017 803.56439:4553 804.56775:1211 279.23087:131 461.21249:31 480.29327:39 742.53076:828 743.05188:5 743.35693:37 743.53571:88 743.96918:14 761.14508:7 765.96692:26 799.71594:31 802.32709:22 802.37604:27 802.55396:1943 802.61163:20 802.79681:8 802.8526:32 70281 75481 78808 1338 0 0 0 49019 18706 22387 21961 21610 19246 16026 0 6683 7323 6816 10129 7691 6527 81603 75241 80614 446.147013346354 0 6940.953125 8115.94514973958 79153 74856.6666666667 24136.6632254464 772.749294760995 0 337.891607879091 1838.22749532708 3423.62048870365 4297.58746656019 11199.0663753355 873 4.492 803.4986 w/o MS2:SMGDG O-9:0_24:3 [M-H]- similar chromatogram in higher mz_927 0.792 False 8.22 803.49847 C42H76O12S EtherSMGDG UQACFEDYLAIZKQ-UHFFFAOYSA-N O=C(OC(COCCCCCCCCC)COC1OC(CO)C(O)C(OS(=O)(=O)O)C1O)CCCCCCCCC=CCC=CCC=CCCCCCCC 530 True True False False False null null 100 99.9 null null null 95.84 P. room temp 3 803.4986:7482 804.50195:4947 805.50531:1422 47126 50194 51882 0 0 0 0 27545 29058 28591 30186 30825 29079 30660 0 28942 30145 26598 32985 35295 30191 53006 49022 55714 0 0 28561.8352864583 32823.6263020833 52580.6145833333 49734.1901041667 29420.6077008929 0 0 1803.65142765715 2555.64988344585 3366.26533681551 2411.13418234929 1193.74571478825 874 6.82 804.57019 Unknown [M-H]- similar chromatogram in higher mz_928 0.792 True null null null null null null 999 True False False False True null null null null null null null 386.98 B. room temp 2 804.57019:29300 805.57354:15370 806.5769:11829 34.9706:52 59.00952:95 61.98674:43 89.02269:77 101.01784:84 119.03453:51 143.03258:66 171.05782:17 345.41241:11 354.72183:50 440.26367:10 467.40314:8 588.53876:28 687.86884:50 701.0083:18 768.37323:24 768.59137:742 768.64697:38 768.85767:5 768.90564:18 769.2793:5 769.5929:39 799.05157:31 799.88208:24 802.4837:15 803.43188:11 804.06488:12 804.12903:17 804.33221:35 804.3681:115 804.56885:16546 804.70782:83 804.75421:49 804.82251:46 804.89313:66 804.96954:76 805.04767:41 127798 123456 128438 0 0 0 0 154364 152669 153878 174195 168436 169496 164775 0 207844 238637 187373 226510 221169 223653 114027 127325 132953 0 0 211284.5625 223777.182291667 124768.440104167 126564.015625 162544.814732143 0 0 25804.8076081068 2672.29630159511 9718.57670870907 2710.72342874391 8787.4481378883 875 4.679 805.5119 MGDG 34:6|MGDG 16:3_18:3 [M+CH3COO]- adduct linked to 855_[M+FA-H]-; similar chromatogram in higher mz_1290 0.792 True 8.47 805.5108 C43H70O10 MGDG ICYUEMSNVJJVHR-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCCC=CCC=CCC=CCC)COC1OC(CO)C(O)C(O)C1O)CCCCCC=CCC=CCC=CCC 410 True True True False False null null 100 99.9 90.2 75.6 100 1293.82 QC-6 805.51196:57817 806.51531:35518 807.51867:8247 31.99061:28 41.03933:27 43.01952:11 59.01401:1505 59.03598:5 59.11036:9 59.18069:20 73.58759:10 89.00367:26 101.02207:29 119.0353:43 125.02182:6 143.03537:75 145.05054:48 157.04997:44 161.04591:85 176.40575:31 181.12268:32 219.04968:27 235.0507:30 235.0804:471 235.11427:11 235.37926:13 248.11652:15 249.08533:22 249.18582:17232 249.24548:113 249.29088:22 249.33875:39 249.36443:37 249.41907:56 249.4379:47 249.47955:30 249.52338:46 249.55463:17 249.59373:20 249.63763:39 249.66524:17 249.69829:14 249.72476:9 249.74661:37 249.77118:35 249.81189:30 249.91054:20 249.95416:8 249.98694:31 250.09622:14 250.18884:177 250.24925:21 250.31485:6 250.43513:15 251.02058:19 251.12267:5 251.22318:19 253.06732:122 253.09279:1233 253.13274:26 259.20981:25 275.6582:18 275.84753:14 276.69757:42 277.146:132 277.21713:24850 277.36111:30 277.39142:39 277.4053:36 277.43518:31 277.49207:47 277.54315:31 277.57196:44 277.63525:41 277.65491:40 277.69284:34 277.71094:32 277.72742:56 277.76758:26 277.80225:13 277.85983:19 277.9292:23 277.95776:15 278.00394:47 278.03842:59 278.06604:32 278.10757:29 278.1825:25 278.22043:403 278.30353:12 278.38425:14 278.44766:18 278.51108:26 278.56299:17 278.62616:17 278.67413:16 278.89758:11 278.93222:14 279.0592:11 279.79666:22 280.00089:29 280.60831:6 291.22391:13 467.26239:79 485.27463:780 485.70355:6 486.24414:19 513.21283:21 513.26074:70 513.30579:2132 513.37433:17 513.41388:12 513.46503:19 513.54437:16 513.66455:13 513.72638:13 513.79498:45 513.84082:7 514.30457:48 514.59418:12 575.97388:17 667.46381:20 745.39612:17 745.42908:43 745.48718:444 746.14429:9 746.49255:33 804.99774:10 805.36938:30 805.50836:170 805.75177:15 805.98145:79 864232 897712 922590 0 0 0 0 408821 392883 398300 395096 399602 403090 404313 0 49679 54926 56727 74839 97493 83545 852510 866869 923870 0 0 53777.1770833333 85292.2395833333 881083.020833333 894844.541666667 400300.924107143 0 0 3661.68574641701 11427.5126296646 37743.7980533688 29284.1147122098 5523.96538828368 876 4.944 805.51422 Unknown [M-H]- similar chromatogram in higher mz_930 0.792 True null null null null null null 999 True False False False True null null null null null null null 160.68 P. room temp 3 805.51422:13011 806.51757:9238 807.52093:2756 81.03434:32 118.34202:22 134.97404:18 152.98463:28 167.03473:8 225.0051:42 249.19032:74 277.21106:29 319.22827:63 325.18259:55 537.27496:27 707.47833:15 759.62634:14 803.34088:12 804.04474:19 804.98352:30 805.26233:15 805.36115:69 805.51459:10088 805.64166:50 805.73108:50 805.8302:48 805.86053:35 805.93903:25 805.98407:148 69206 69459 75637 0 0 0 0 32010 35329 34535 31340 32109 33234 33475 0 56740 64348 42643 73260 51138 38352 84522 79160 89311 0 0 54577.1979166667 54249.91796875 84330.921875 71434.0234375 33147.3443080357 0 0 11012.6463926081 17661.2967973375 5078.29453387677 3642.12031465376 1439.72268518931 877 8.536 806.64801 w/o MS2:HexCer 16:0;2O/26:3 [M-H]- ion correlated with 1132; adduct linked to 962_[M+FA-H]- 0.208 False 12.01 806.65149 C48H89NO8 HexCer_NDS JKULDPBUYVGGDA-UHFFFAOYSA-N O=C(NC(COC1OC(CO)C(O)C(O)C1O)C(O)CCCCCCCCCCCCC)CCCCCCCCCCC=CCC=CCC=CCCCCCCC 530 True True False False False null null 94.1 99.9 null null null 93.86 B. room temp 1 806.64801:5475 807.65136:3024 808.65472:1509 621 277 0 0 0 0 0 17240 17782 16733 19247 18267 20078 20919 0 47451 42775 39229 40424 32290 26103 299 357 504 0 0 43151.390625 32938.7272135417 386.697550455729 299.562225341797 18609.6043526786 0 0 4123.69266821723 7182.32067043891 105.504804052993 311.260819458079 1532.82200183236 878 8.133 806.64868 w/o MS2:HexCer 16:0;2O/26:3 [M-H]- ion correlated with 834; similar chromatogram in higher mz_1032 0.208 False 12.01 806.65149 C48H89NO8 HexCer_NDS JKULDPBUYVGGDA-UHFFFAOYSA-N O=C(NC(COC1OC(CO)C(O)C(O)C1O)C(O)CCCCCCCCCCCCC)CCCCCCCCCCC=CCC=CCC=CCCCCCCC 530 True True False False False null null 96.1 99.9 null null null 85.1 B. room temp 2 806.64868:4551 807.65203:2733 808.65539:0 2371 1723 2493 0 0 0 0 17791 17042 16346 15263 16079 15833 15978 0 39105 38470 42402 34339 37197 25887 2374 1415 1859 0 0 39992.4583333333 32474.3404947917 1882.62748209635 2195.39542643229 16333.0272042411 0 0 2110.43472151248 5881.06156969017 479.937800774837 413.990202611477 838.166490895141 879 5.162 807.5274 MGDG 34:5|MGDG 16:2_18:3 [M+CH3COO]- adduct linked to 861_[M-H]- 0.792 True 8.93 807.52643 C43H72O10 MGDG XPMIGHITDUXBTF-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCCC=CCC=CCC=CCC)COC1OC(CO)C(O)C(O)C1O)CCCCCCCC=CCC=CCCC 410 True True True False False null null 100 99.9 71.3 78.6 100 1160.89 B. room temp 3 807.52637:11103 808.52972:7096 809.53308:1743 59.01129:250 97.03014:33 111.05316:6 112.95501:17 138.98576:24 161.01988:38 179.05475:19 235.08073:205 235.5173:21 248.09389:6 249.11728:7 249.14815:45 249.18532:510 249.91573:8 251.14299:106 251.20168:2454 251.25792:12 251.29198:25 251.51698:13 251.65088:13 252.18288:44 252.20482:28 253.03412:10 253.09157:238 265.21472:37 277.11191:26 277.15219:46 277.17896:167 277.21649:4184 277.25003:58 277.31329:8 277.35358:30 277.39304:15 277.43417:10 277.56076:25 277.70471:7 277.78674:8 277.95813:11 278.15979:16 278.21924:68 279.15884:31 279.20251:33 279.23257:959 439.20917:14 440.23807:11 458.2392:32 461.36349:49 467.25552:20 469.28934:27 487.22522:33 487.26633:15 487.28824:105 513.26233:31 513.3053:308 513.73285:15 514.30487:10 515.32263:90 555.34766:14 744.47357:92 747.45721:63 747.50378:197 747.77802:29 748.52448:24 807.51843:41 842733 810728 798036 0 0 0 0 422322 413497 402139 424801 413762 420098 417030 0 70302 79084 81361 103479 121334 118530 760280 826262 810686 0 0 76915.53125 114447.9609375 799075.708333333 817165.541666667 416235.544642857 0 0 5839.90732844258 9602.19195083821 34489.1871752454 23033.1015990212 7508.84004852297 880 8.105 808.62421 w/o MS2:PE O-14:0_28:4 [M+Hac-H]- ion correlated with 1071; ion correlated with 1066; adduct linked to 728_[M-H2O-H]- 0.542 False 13.09 808.62262 C47H88NO7P EtherPE WOGIAYLXXGZUCW-UHFFFAOYSA-N O=C(OC(COCCCCCCCCCCCCCC)COP(=O)(O)OCCN)CCCCCCCCCCCCCCC=CCC=CCC=CCC=CCC 530 True True False False False null null 98.7 99.9 null null null 73.68 B. cold 3 808.62421:5209 809.62756:2240 810.63092:823 12792 14157 15377 0 0 0 0 34909 39584 37634 39228 40394 41713 40458 0 53728 54046 50705 55114 58434 54149 17773 15123 16247 0 0 52826.2903645833 55899.21484375 16380.7099609375 14108.8990885417 39131.4229910714 0 0 1844.17290015715 2247.81395306221 1330.06831725667 1293.10277945465 2247.248502774 881 7.895 808.62738 w/o MS2:CL 12:0_15:0_28:0_28:0 [M+FA-H]- adduct linked to 914_[M-H2O-H]- 0.208 False 14.77 808.6275 C92H180O17P2 CL HWLNBYNYXNWBBL-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCCCCCC)COP(=O)(O)OCC(O)COP(=O)(O)OCC(OC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCC 530 True True False False False null null 100 99.8 null null null 53.88 B. room temp 1 808.62738:4942 809.63073:2612 810.63409:937 5874 7732 7561 243 0 0 0 26720 23204 22559 21529 20201 20362 18826 0 39665 38343 29852 34658 33922 29193 8729 7195 7318 80.9250946044922 0 35953.580078125 32590.8001302083 7747.33870442708 7055.99381510417 21914.3858816964 140.166375462298 0 5325.22388739174 2965.36155523541 852.752773987525 1026.82807942637 2588.88831821785 882 8.588 808.66449 w/o MS2:HexCer 16:0;2O/26:2 [M-H]- 0.042 False 12.65 808.66718 C48H91NO8 HexCer_NDS RGRFCXMBDRFAEF-UHFFFAOYSA-N O=C(NC(COC1OC(CO)C(O)C(O)C1O)C(O)CCCCCCCCCCCCC)CCCCCCCCCCCCCC=CCC=CCCCCCCC 530 True True False False False null null 96.5 99.9 null null null 66.79 QC-1 808.66449:3340 809.66784:1989 810.6712:0 12282 8867 8571 0 0 0 0 26778 27173 26348 22429 22681 18716 21345 0 20664 15980 24117 16902 18600 15343 8338 8948 9309 0 0 20253.7356770833 16948.3177083333 8864.98860677083 9906.76985677083 23638.5290178571 0 0 4083.72633974624 1628.93574865251 490.680603710952 2062.22660117791 3203.19713500704 883 5.628 809.54333 MGDG 34:4|MGDG 16:2_18:2 [M+CH3COO]- adduct linked to 863_[M+FA-H]- 0.792 True 8.95 809.54211 C43H74O10 MGDG YFHGYPICICXDKV-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCCC=CCC=CCCCCC)COC1OC(CO)C(O)C(O)C1O)CCCCCCCC=CCC=CCCC 410 True True True False False null null 100 99.9 92 76.6 100 2069.04 QC-3 809.54291:87712 810.54626:60299 811.54962:15336 40.50167:7 43.0151:76 57.97625:44 59.01359:2902 59.0439:9 59.06387:5 59.19336:10 59.321:5 60.01723:64 70.99694:43 71.0132:78 72.95805:11 83.01226:21 87.01036:36 89.02446:57 99.00759:32 101.02557:63 109.03097:18 109.06052:30 113.02365:110 119.03559:24 133.03825:15 147.30513:12 161.04675:136 179.05611:151 179.15211:26 180.46875:16 180.63055:7 187.06303:88 235.05133:20 235.08209:964 236.01732:21 236.08769:8 249.18513:78 250.19527:19 250.96651:43 251.1143:45 251.13995:271 251.2016:26700 251.34673:22 251.38126:22 251.41551:51 251.44112:46 251.4653:55 251.49142:41 251.56354:35 251.58894:39 251.6472:24 251.68234:17 251.7086:16 251.73602:19 251.76042:41 251.79926:62 251.83215:7 251.85999:30 251.89796:26 251.94733:42 251.9912:31 252.02007:16 252.03969:11 252.10094:45 252.20518:300 252.23262:16 252.25456:16 252.282:16 252.47961:7 252.57297:11 252.8119:10 252.90807:9 253.09164:1254 253.17191:29 253.21645:510 253.32312:8 253.37027:12 253.97527:9 254.21841:26 254.41048:9 265.21512:5 277.21643:456 277.77902:16 278.32733:22 279.0484:36 279.09485:89 279.233:35386 279.40027:37 279.43112:79 279.47485:24 279.50546:52 279.53329:53 279.55466:9 279.58487:32 279.65152:32 279.7124:65 279.74728:27 279.78281:21 279.8165:29 279.8569:24 279.93719:23 280.00793:19 280.04211:14 280.07062:35 280.09329:48 280.12885:22 280.20175:64 280.23572:328 280.26535:38 280.2908:16 280.35443:27 280.37759:33 280.42386:16 280.51645:22 280.53961:14 280.58591:11 280.61417:11 280.69403:28 280.85159:22 280.96225:9 281.10486:21 281.15344:9 281.22876:8 281.34756:9 282.36978:9 283.27219:16 284.67551:6 293.20966:23 294.11612:16 335.25784:33 395.25287:8 469.19272:50 469.25259:54 469.28223:29 470.35355:6 487.0611:30 487.28809:1264 487.36618:16 487.48831:22 487.65237:21 487.84689:9 488.28973:41 489.30804:27 497.31015:105 511.5213:12 512.29364:13 512.42657:12 513.26288:57 513.30487:42 513.34998:17 515.17371:21 515.21924:53 515.25519:112 515.32178:2928 515.42743:20 515.47388:24 515.49738:26 515.53766:23 515.59937:20 515.74512:15 515.79584:11 515.92114:28 516.00745:8 516.06244:28 516.3291:66 516.44714:12 611.47876:30 746.91943:24 749.35791:29 749.41119:54 749.51874:1849 749.60382:27 749.67981:9 749.82147:8 750.00122:6 750.04352:9 750.46515:31 750.54071:20 750.64099:11 751.03308:10 751.62976:7 758.45654:7 768.90442:7 792.4696:29 792.68365:13 809.54395:165 1447817 1491618 1441872 0 0 0 0 688919 649969 634373 674222 689606 702152 684801 0 81033 88100 106605 137505 147045 143455 1514707 1567910 1558697 0 0 91912.6692708333 142668.3125 1547104.33333333 1460435.79166667 674862.991071429 0 0 13205.2033037772 4818.01587537254 28432.8664643614 27167.9984659495 24214.2119206212 884 9.213 809.64496 Unknown [M+Hac-H]- ion correlated with 780; adduct linked to 780_[M-H]- 0.25 False null null null null null null 999 False False False False False null null null null null null null 160.26 B. cold 2 809.64496:10872 810.64831:9353 811.65167:2826 8297 8387 10806 0 0 0 0 16801 15255 13744 13430 12029 13548 11893 0 51371 56152 29784 58236 75002 60083 8781 3730 10824 0 0 45768.9251302083 64440.2734375 7778.51416015625 9163.33919270833 13814.1801060268 0 0 14048.2490139672 9193.02411712683 3651.75946674819 1423.01003449506 1736.69749451284 885 8.138 810.64264 w/o MS2:HexCer 17:0;2O/24:2;O [M-H2O-H]- ion correlated with 1084; adduct linked to 924_[M-H]- 0.042 False 11.34 810.64648 C47H89NO9 HexCer_HDS FXOBUFPKGMZSTO-UHFFFAOYSA-N O=C(NC(COC1OC(CO)C(O)C(O)C1O)C(O)CCCCCCCCCCCCCC)C(O)CCCCCCCCCCC=CCC=CCCCCCCC 530 True True False False False null null 92.9 99.9 null null null 77.19 P. cold 1 810.64264:3859 811.64599:2336 812.64935:571 28452 28483 25494 0 0 0 0 17364 18563 16349 16768 16291 15171 16479 0 8364 7833 9551 6974 7402 5307 23891 22846 27989 0 0 8582.57666015625 6560.76350911458 24908.6705729167 27476.5494791667 16712.1555524554 0 0 880.011041767438 1106.68215266612 2718.1969366918 1716.59700293411 1048.27884459447 886 8.349 810.6427 w/o MS2:HexCer 17:0;2O/24:2;O [M+FA-H]- adduct linked to 918_[M-H2O-H]- 0.042 False 11.34 810.64648 C47H89NO9 HexCer_HDS FXOBUFPKGMZSTO-UHFFFAOYSA-N O=C(NC(COC1OC(CO)C(O)C(O)C1O)C(O)CCCCCCCCCCCCCC)C(O)CCCCCCCCCCC=CCC=CCCCCCCC 530 True True False False False null null 93.1 100 null null null 64.95 P. cold 1 810.6427:4090 811.64605:2670 812.64941:748 30020 27779 24827 0 0 0 0 22975 20629 20343 16936 18456 14295 14601 0 9559 7412 7627 6826 7338 7357 22488 21193 25096 0 0 8199.3984375 7173.79866536458 22925.5924479167 27541.7278645833 18319.4919084821 0 0 1182.75179840222 301.15267195751 1988.210540315 2604.43776549093 3242.00386975497 887 8.563 810.64398 w/o MS2:HexCer 17:0;2O/24:2;O [M-H]- ion correlated with 1085; ion correlated with 1139; adduct linked to 968_[M+FA-H]- 0.25 False 11.34 810.64648 C47H89NO9 HexCer_HDS FXOBUFPKGMZSTO-UHFFFAOYSA-N O=C(NC(COC1OC(CO)C(O)C(O)C1O)C(O)CCCCCCCCCCCCCC)C(O)CCCCCCCCCCC=CCC=CCCCCCCC 530 True True False False False null null 96.9 100 null null null 102.3 P. cold 1 810.64398:5879 811.64733:2744 812.65069:1053 53803 46727 46520 421 0 0 0 27369 21835 27573 25913 26506 23357 24287 0 13712 11821 13227 11430 15362 12771 42228 38906 45486 140.445159912109 0 12920.037109375 13187.4567057292 42206.8763020833 49016.5794270833 25263.1241629464 243.258152644909 0 981.999674611999 1999.06293066284 3289.7050114397 4146.21170809643 2163.17069155166 888 6.142 811.55841 MGDG 34:3|MGDG 16:0_18:3 [M+CH3COO]- ion correlated with 939; adduct linked to 867_[M+FA-H]- 0.792 True 9.49 811.55768 C43H76O10 MGDG NAUNPPRXNUXMCK-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCCC=CCC=CCC=CCC)COC1OC(CO)C(O)C(O)C1O)CCCCCCCCCCCCCCC 410 True True True False False null null 100 99.9 59.4 80.5 100 412.84 QC-1 811.55786:18737 812.56121:10240 813.56457:2773 59.01422:464 101.02878:33 119.03526:48 123.07263:56 161.04141:48 164.05037:17 179.05385:13 180.0592:71 232.00914:17 233.2:11 235.08128:226 235.34734:10 235.74397:13 251.1846:62 251.2016:362 251.74915:8 253.09044:178 253.21603:419 253.31624:18 255.23216:4135 255.31438:27 255.35733:12 255.39165:12 255.43034:12 255.45203:18 255.57402:8 255.61813:49 255.65495:13 255.73074:8 255.76375:10 256.12112:13 256.23727:20 269.24335:42 277.13443:92 277.16882:16 277.21667:2856 277.26758:6 277.28979:9 277.39905:8 277.48547:31 277.53683:9 277.58835:19 277.66968:14 278.18256:8 278.21695:40 278.53983:33 279.23239:570 281.24826:647 281.39017:19 282.24884:22 292.77701:16 411.88049:34 454.30438:38 455.21811:19 487.28839:19 489.30328:49 491.24756:34 491.27652:53 491.32108:537 492.33569:31 501.18463:16 513.23883:38 513.30432:255 514.24133:34 515.23895:15 515.31671:78 517.33569:153 539.29254:25 573.35461:22 722.63989:14 748.0697:14 751.53375:293 751.77222:9 752.4129:10 752.55481:7 811.03699:32 811.48218:38 811.54974:72 811.62762:29 310104 313360 313306 0 0 0 0 168228 163876 162418 159069 160290 162312 159810 0 74253 86495 84560 84254 98101 91515 310531 321160 325312 0 0 81769.4557291667 91289.9635416667 319000.864583333 312256.739583333 162286.116071429 0 0 6580.59680151112 6925.84180163063 7623.12304391765 1864.13954690241 3117.51771795277 889 6.603 811.61987 PC 15:0_18:1(d7) [M+CH3COO]- adduct linked to 868_[M+FA-H]- 0.875 True 9.44 811.61987 C41H73D7NO8P PC ZEWLMKXMNQOCOQ-GCHPQBSENA-N [C@](COP(=O)([O-])OCC[N+](C)(C)C)([H])(OC(CCCCCCC/C=C\CCCCCC([2H])([2H])C([2H])([2H])C([2H])([2H])[2H])=O)COC(CCCCCCCCCCCCCC)=O 430 True True True False False null null 85.7 100 87.4 84.7 66.7 252.36 IS 2 811.61987:26288 812.62322:11675 813.62658:2259 59.01463:185 88.00252:16 168.03999:17 180.44908:42 241.21596:464 241.30605:8 241.33952:13 242.21941:35 281.24582:69 288.29205:1177 288.3656:8 288.5351:18 288.69427:6 288.76474:7 289.60504:13 289.64032:7 409.95761:59 448.28442:28 466.29306:79 529.54156:20 619.06128:10 663.05701:16 666.50934:7 710.8714:20 736.57617:19 737.41034:32 737.58295:8653 737.73077:49 737.78577:38 737.88947:33 737.93781:17 738.02039:36 738.10321:64 738.19843:17 738.25305:24 738.3327:35 738.37982:28 738.58441:248 738.62286:27 738.69592:10 738.75964:12 738.86169:20 738.95941:16 738.99841:25 739.05853:14 739.18481:15 739.68976:12 739.97418:14 740.52887:15 740.56842:19 741.1424:7 750.94641:16 751.52069:24 752.5014:31 752.54742:62 757.56073:7 759.36377:14 811.50134:29 811.57062:98 811.61853:1026 811.79578:8 165948 165356 163179 0 0 216428 308753 128616 124896 128050 127631 133794 136407 135632 0 130501 124321 152480 138271 156075 102655 159853 140358 168928 0 262590.34375 135767.447916667 132333.747395833 156379.802083333 164827.916666667 130718.143973214 0 65283.3242138312 14799.6423177981 27200.5063151844 14598.7267365079 1458.21369750163 4489.52174640589 890 6.579 813.57428 MGDG 34:2|MGDG 16:0_18:2 [M+CH3COO]- adduct linked to 869_[M+FA-H]-; similar chromatogram in higher mz_1012; similar chromatogram in higher mz_1232; similar chromatogram in higher mz_1257 0.792 True 9.99 813.57343 C43H78O10 MGDG MZJVEEJEYSKNPH-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCCC=CCC=CCCCCC)COC1OC(CO)C(O)C(O)C1O)CCCCCCCCCCCCCCC 410 True True True False False null null 100 99.9 72.3 77.9 100 794.85 QC-5 813.5741:36241 814.57745:21907 815.58081:5152 59.01396:970 59.07839:6 59.12089:5 89.02406:28 156.98042:30 161.03796:34 162.05106:20 179.04961:52 209.39886:20 235.04031:120 235.08182:518 236.05795:33 239.10104:13 242.22385:23 253.03889:10 253.09369:593 253.18648:138 253.21532:548 253.24976:13 253.3138:18 253.38753:8 254.69608:11 255.23235:8793 255.31412:31 255.33961:14 255.46754:20 255.5184:20 255.57916:9 255.63437:29 255.66756:9 255.714:19 255.7449:24 255.77254:16 255.81676:5 255.87668:21 256.02142:6 256.08762:14 256.14294:44 256.17612:9 256.23709:151 256.31439:11 256.72946:9 258.15433:10 277.89355:6 278.95197:6 279.10925:15 279.15363:121 279.23267:8005 279.32434:23 279.33591:14 279.37054:24 279.41098:24 279.4758:8 279.51907:25 279.56085:15 279.59012:15 279.64206:43 279.69931:13 279.71802:7 279.77124:8 279.80713:28 279.8559:11 279.91943:13 279.97464:6 280.047:18 280.13342:12 280.17249:15 280.23502:129 281.18118:38 281.24887:518 281.56955:9 283.23029:29 283.26492:761 284.27216:23 288.27103:41 288.28867:41 349.23877:24 367.28781:55 367.35681:1282 367.43488:14 367.45474:11 367.48788:16 367.5806:13 367.59384:15 368.06439:8 368.11078:26 368.36276:45 444.17511:13 473.30869:56 491.23764:66 491.27798:158 491.32059:1151 491.38708:26 491.51511:5 491.58401:20 491.62231:17 492.55212:10 497.29279:44 515.32208:653 517.33777:90 517.89874:17 529.53467:159 530.07147:14 530.52979:15 530.62061:10 576.96851:13 583.41058:34 639.21082:12 692.53497:13 737.57666:8 738.58398:41 739.49994:17 739.58661:444 739.67181:22 739.90692:18 752.76404:12 753.55072:868 753.77924:12 753.89246:26 754.46173:32 754.5282:24 754.55481:51 774.97266:27 794.20831:14 795.50415:21 813.586:83 813.62701:93 446537 444131 439368 0 0 306 0 286650 278913 277378 271398 266276 281361 277192 0 86289 92403 101622 127162 126420 118111 544339 577568 589518 0 153.045593261719 93438.1953125 123897.4921875 570475.104166667 443345.458333333 277024.1875 0 216.439153652159 7718.89368424512 5025.120364405 23409.781927892 3648.08562895457 6612.65483184554 891 6.614 813.71832 Unknown [M-H]- 0.125 False null null null null null null 999 False False False False False null null null null null null null 65.28 B. cold 3 813.71832:3410 814.72167:2570 815.72503:928 11479 13476 16320 1573 283 691 957 18086 17757 16029 17362 16249 16511 16471 0 22756 22086 15952 23540 24864 25531 9688 10716 8442 618.65141805013 824.122222900391 20264.6669921875 24644.7330729167 9615.30794270833 13758.3811848958 16923.7677176339 838.417317459433 188.281724862577 3749.91400317819 1013.51722401225 1138.89697484977 2432.98180650876 802.786553025055 892 6.529 813.80414 Unknown [M-H]- ion correlated with 846 0.208 False null null null null null null 999 False False False False False null null null null null null null 127.81 IS 2 813.80414:11218 814.80749:6281 815.81085:1669 25726 30992 24930 0 0 91445 103198 19526 18332 17492 16302 18407 17249 17606 0 10018 8959 13996 18703 13339 9240 23824 14691 13083 0 97321.91015625 10991.1848958333 13760.7473958333 17199.283203125 27216.0006510417 17844.8083147321 0 8310.6867662745 2655.81749392487 4745.61103043741 5792.86902575799 3294.43261346251 1024.41595323834 893 6.153 814.53381 w/o MS2:CL 18:3_22:6_24:0_22:6 [M-H]- ion correlated with 1001 0.083 False 13.52 814.53363 C95H156O17P2 CL PYEHMIDONMCEOL-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCCC=CCC=CCC=CCC)COP(=O)(O)OCC(O)COP(=O)(O)OCC(OC(=O)CCCCCCCCCCCCCCCCCCCCCCC)COC(=O)CCC=CCC=CCC=CCC=CCC=CCC=CCC)CCC=CCC=CCC=CCC=CCC=CCC=CCC 530 True True False False False null null 100 99.7 null null null 78.57 QC-1 814.53381:4306 815.53716:2278 816.54052:742 78486 73998 81690 0 0 0 0 37262 41512 43304 41231 40425 38340 33714 0 22278 28717 22438 19730 25139 23663 84937 77049 96308 0 0 24477.4557291667 22843.7473958333 86098.0286458333 78057.7942708333 39398.3158482143 0 0 3672.27866951941 2795.72267291117 9681.85846536098 3863.77150912675 3218.06767392441 894 5.953 814.55957 w/o MS2:PC O-12:0_22:4;1O [M-H]- 0.083 False 8.66 814.56042 C42H78NO8P EtherOxPC GLJALQIQSZZAIM-UHFFFAOYSA-N O=C(OC(COCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C)CCCCCCCC(O)C=CCC=CCC=CCC=CCC 530 True True False False False null null 99.6 100 null null null 101.3 P. cold 1 814.55957:5581 815.56292:3205 816.56628:866 49972 53198 57907 0 0 0 0 45202 43028 43860 39276 42748 43438 40693 0 37123 34165 30469 49283 48506 45222 50311 55540 56066 0 0 33919.2975260417 47670.1067708333 53972.3815104167 53692.12890625 42606.3113839286 0 0 3333.70343422529 2155.32887576785 3182.0126644852 3990.51495567495 1998.15915015367 895 7.915 814.58704 w/o MS2:RIKEN N-VS1 ID-6272 from Mouse_Feces_WT_N_Ctr [M-H]- ion correlated with 637 0.542 False 12.49 814.58972 Unknown 530 True True False False False null null 96.5 99.9 null null null 155.79 P. room temp 3 814.58704:13779 815.59039:9976 816.59375:3184 109037 110919 111865 0 0 0 0 30251 29709 29313 28396 27790 28624 27704 0 3824 3111 4031 2624 746 1537 108746 96040 115647 0 0 3655.56331380208 1635.46584065755 106811.0703125 110606.890625 28826.8454241071 0 0 482.635026064777 943.201345079575 9945.52302297066 1439.52860447036 966.6101642096 896 6.828 814.60596 w/o MS2:SL 13:2;O/36:5;O [M+FA-H]- ion correlated with 925; adduct linked to 818_[M-H]-; adduct linked to 925_[M+Hac-H]-; adduct linked to 1271_[2M-H]- 0.792 True 12.27 814.60248 C49H85NO6S SL MEFVTRFTHAOPMQ-UHFFFAOYSA-N O=C(N(CC(O)C=CCCC=CCCCC)CS(=O)(=O)O)C(O)CCCCCCCCCCCCCCCCCCC=CCC=CCC=CCC=CCC=CCC 530 True True False False False null null 62.9 99.9 null null null 510.26 B. room temp 2 814.60596:51649 815.60931:34927 816.61267:8011 51.02339:44 71.016:70 89.02343:203 101.02543:96 113.02613:41 119.02044:38 119.03438:94 122.12742:12 125.46988:43 161.03302:22 161.12952:8 179.10561:17 179.17035:19 193.08896:16 220.01031:25 278.24045:28 279.23495:18 299.27548:17 327.28702:71 328.29202:15 352.32718:36 367.35794:20 406.75217:28 419.86044:30 534.17798:21 588.51123:42 588.53143:191 606.54883:67 655.46729:23 671.57947:14 711.17822:6 763.73907:7 763.77478:7 763.92755:18 764.06128:14 764.31921:13 765.68591:17 765.95361:8 766.31842:17 767.7334:10 767.98236:7 768.16431:23 768.26971:25 768.36389:138 768.5993:29316 768.90387:61 768.94727:22 769.02747:62 769.06073:33 769.10626:34 769.1369:41 769.18408:63 769.26007:41 769.34442:41 769.47382:67 769.50037:28 769.6015:722 769.72058:25 769.9563:29 770.00665:15 770.05212:13 770.0907:35 770.1864:44 770.23431:26 770.28174:16 770.3158:12 770.41656:25 770.50287:13 770.57001:20 770.67493:6 770.90576:9 770.97296:13 771.0401:20 771.18402:8 771.42004:8 771.55835:12 772.02869:11 772.10553:11 772.72009:8 777.98419:8 810.16278:47 813.2146:14 814.14111:23 814.41675:33 814.46118:44 814.60425:2697 814.7229:28 814.81171:30 814.84186:10 814.97937:29 40971 39874 41073 0 0 0 0 196253 172306 175368 176006 172073 157744 156904 0 317567 370012 298232 356575 330068 305250 51357 49116 52830 0 0 328603.479166667 330631.28125 51100.9010416667 40639.3346354167 172379.051339286 0 0 37140.9792266229 25667.2069153797 1869.86242489714 664.843382926388 13202.4216106637 897 4.362 815.49939 SQDG 34:3|SQDG 16:0_18:3 [M-H]- 0.792 True 8.01 815.49847 C43H76O12S SQDG PUAZHUYVSFVFNU-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCCC=CCC=CCC=CCC)COC1OC(CS(=O)(=O)O)C(O)C(O)C1O)CCCCCCCCCCCCCCC 430 True True True False True null null 91.2 99.9 100 81.8 83.3 3284.47 B. cold 2 815.49939:202797 816.50274:126985 817.5061:43898 41.00562:11 63.96137:62 71.01299:37 79.95535:23 80.96509:214 94.98095:67 97.027:38 101.0254:15 112.98422:25 125.02732:42 136.99091:20 141.01755:32 158.97844:35 164.96336:8 164.98598:77 220.41547:23 225.00656:197 246.3896:29 247.09474:48 255.04395:21 255.23067:30 383.95053:25 459.69632:14 462.5759:5 537.05609:5 537.28717:32 559.25415:67 586.43658:24 618.41608:15 716.38348:26 747.5752:12 783.33063:41 797.46033:8 809.9649:20 810.06195:10 810.14191:13 810.24518:14 810.31903:36 810.40747:28 810.44885:26 810.54333:28 810.60413:18 810.64374:16 810.711:23 810.86005:24 810.9007:39 810.94965:30 811.00793:19 811.10864:16 811.32312:15 811.51447:6 811.55878:9 811.95258:6 812.08063:36 812.22833:19 812.41541:27 812.50482:11 812.56317:18 812.65167:26 813.27252:15 813.35132:30 813.38092:6 813.42737:8 813.48438:8 813.6347:8 813.84418:23 813.8902:10 813.95258:25 814.13989:22 814.37653:34 814.47516:21 814.51398:22 814.64282:8 814.7002:17 814.74866:23 814.93201:43 815.02258:24 815.0979:42 815.13678:80 815.21307:76 815.3114:710 815.49854:147959 1390309 1421817 1527154 0 0 0 0 1167837 1186586 1167898 1168928 1171864 1136411 1147806 0 1488343 1564088 1386137 1488881 1628680 1463391 1479837 1301461 1577374 0 0 1479522.5 1526983.79166667 1452890.54166667 1446426.58333333 1163904.46428571 0 0 89302.6248411301 88988.7114212329 139916.479492697 71665.2331335309 16580.4817840502 898 7.011 815.58929 MGDG 34:1|MGDG 16:0_18:1 [M+CH3COO]- adduct linked to 871_[M+FA-H]-; similar chromatogram in higher mz_1044 0.542 True 10.71 815.58899 C43H80O10 MGDG GJPFUHJUTMNEJR-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCCC=CCCCCCCCC)COC1OC(CO)C(O)C(O)C1O)CCCCCCCCCCCCCCC 410 True True True False False null null 100 99.9 90.5 62.3 100 237.93 P. cold 1 815.58905:18487 816.5924:12757 817.59576:2687 34.0333:20 55.0156:46 57.03435:28 59.01395:1024 59.08116:15 71.01348:74 73.03043:32 89.02326:37 101.02261:34 112.99157:5 119.03545:106 143.02716:86 152.99518:15 157.05423:45 161.04424:39 168.02202:26 168.04442:34 178.939:20 187.06096:26 235.08257:46 253.09245:554 253.22079:28 253.34177:37 255.19279:177 255.23228:4776 255.28143:19 255.30933:22 255.40614:9 255.425:39 255.50752:23 255.58347:14 255.63548:13 255.67892:12 256.07706:9 256.23743:82 279.22672:27 281.12958:37 281.19424:139 281.2475:7164 281.32855:24 281.36148:19 281.39575:23 281.41351:18 281.49472:18 281.53528:12 281.57587:45 281.59372:36 281.65125:14 281.69766:33 281.71506:34 281.74985:31 281.87344:45 282.25208:111 282.49274:26 282.52179:9 283.38785:5 354.34689:15 355.34277:43 433.16791:62 815.63898:19 130730 130818 134615 245 0 0 0 52095 51168 50231 49073 54838 49753 51186 0 9957 11863 9332 9410 9802 8150 108566 105694 113746 81.7010294596354 0 10383.986328125 9120.85465494792 109335.1875 132054.440104167 51192.0212053571 141.51033405477 0 1318.58959047394 863.099172863772 4080.6581795894 2217.99873587753 1896.87147951822 899 5.007 816.51721 Unknown [M-H]- 0.042 True null null null null null null 999 True False False False True null null null null null null null 215.13 P. room temp 2 816.51721:10757 817.52056:13495 818.52392:3460 61.98713:55 251.08603:40 280.0871:20 303.18481:6 303.24347:9 326.98047:29 373.10669:13 402.14401:21 617.40027:24 679.44312:12 726.57397:19 752.40399:22 752.46118:114 784.39423:13 784.45911:94 784.49042:325 784.6839:9 784.94598:34 813.92188:10 816.27032:41 816.35693:43 816.39087:80 816.51587:5179 816.59961:39 816.64673:24 816.81342:9 816.85291:32 816.88745:15 816.95551:33 19165 21299 18815 0 0 0 0 11750 13160 11568 12080 13417 12700 12801 0 6854 5555 6302 7570 7955 10718 20464 70744 16364 0 0 6237.13199869792 8747.96419270833 35857.2063802083 19759.689453125 12496.5492466518 0 0 652.12075361872 1717.31946879853 30282.0013757143 1344.6092440668 708.613482578981 900 6.594 816.55286 PC 33:3;O|PC 18:2_15:1;O [M+CH3COO]- 0.042 True 7.87 816.53961 C41H76NO9P OxPC NDSSYYXQSPSPFN-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCC(O)C=CCCCCC)COP(=O)([O-])OCC[N+](C)(C)C)CCCCCCCC=CCC=CCCCCC 410 True True True False False null null 100 100 85 90.8 100 69.08 B. cold 3 816.55286:3454 817.55621:2101 818.55957:705 59.01442:41 168.04228:81 255.23222:72 279.23074:315 279.44427:15 400.50128:21 480.30841:26 742.36505:18 742.42035:24 742.53552:1894 742.64087:27 742.66638:9 742.9516:14 743.34015:6 743.48877:40 743.5368:78 757.49829:19 816.56982:135 52428 38168 41776 0 0 0 0 38136 46169 37203 41407 39317 27592 44798 0 20344 23800 20498 23778 28316 34355 63647 50085 69580 0 0 21547.296875 28816.361328125 61104.1341145833 44123.81640625 39231.6735491071 0 0 1952.75070373362 5306.50644885413 9993.42111904335 7414.09975595203 6118.71564886205 901 6.383 816.57233 PC 34:2|PC 16:0_18:2 [M+CH3COO]- 0.542 True 9.3 816.57599 C42H80NO8P PC JLPULHDHAOZNQI-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCCC=CCC=CCCCCC)COP(=O)([O-])OCC[N+](C)(C)C)CCCCCCCCCCCCCCC 410 True True True False False null null 100 100 85.1 86.8 100 351.47 QC-3 816.57434:11274 817.57769:7814 818.58105:1765 59.00168:23 59.01344:90 61.98967:71 168.04047:68 255.19939:26 255.23425:280 279.20343:123 279.23279:988 279.31995:10 279.55673:23 279.6203:6 280.12891:19 305.00101:33 397.20303:34 409.23077:25 462.29364:24 480.30853:182 486.30243:27 504.26996:31 741.90808:20 742.34674:21 742.38763:135 742.53864:6576 742.65375:24 742.72137:8 742.75165:20 742.82568:51 742.94:34 743.01465:25 743.15881:40 743.19208:16 743.26025:33 743.37384:7 743.45715:8 743.54376:136 743.59924:27 743.7879:12 743.84442:7 743.89154:12 743.94812:16 744.00464:17 744.14606:12 744.23962:6 744.74548:23 745.60779:16 753.14673:21 757.42664:66 757.51117:43 816.41205:46 816.44885:33 816.57428:592 219301 257004 235047 3752 0 0 0 110513 110728 100108 59549 62606 59398 53303 0 19682 17978 16465 25838 23625 19836 234137 262880 225978 1250.8115234375 0 18041.3352864583 23099.615234375 240997.979166667 237117.348958333 79457.8125 2166.46910928638 0 1609.30989658067 3035.37099767222 19384.1383755844 18936.815657024 26253.5657058443 903 4.785 817.5163 SQDG 34:2|SQDG 16:0_18:2 [M-H]- 0.792 True 8.17 817.5141 C43H78O12S SQDG LOZJMRGYMGMBTB-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCCC=CCC=CCCCCC)COC1OC(CS(=O)(=O)O)C(O)C(O)C1O)CCCCCCCCCCCCCCC 430 True True True False True null null 95.8 99.9 100 83.7 100 6285.46 P. room temp 3 817.5163:482071 818.51965:292774 819.52301:99138 33.07855:14 43.01726:42 57.34908:10 63.95866:53 71.01507:78 73.03056:81 78.97286:52 78.98527:65 79.95793:178 80.96524:1063 81.33319:15 85.00097:7 85.02975:39 87.00691:65 91.03963:16 94.9798:145 97.03006:52 99.0968:9 106.98026:51 114.01507:9 125.02458:57 127.03722:21 134.9753:144 137.6153:14 138.97504:11 146.97578:36 148.99075:144 151.97755:34 152.59984:58 152.96317:48 152.98557:238 157.88687:22 163.0033:25 164.91125:14 164.98589:485 165.99474:42 166.98901:19 167.00652:56 171.23982:29 176.97998:8 178.88548:22 206.99689:255 224.95833:64 225.00671:1603 225.17606:5 230.78348:13 255.23708:59 258.11044:7 279.18616:6 279.2326:115 332.56458:6 346.21027:11 356.64026:51 366.05264:18 370.8414:21 372.16656:22 384.07617:11 415.41113:13 444.23434:14 448.01492:41 459.62314:20 463.70135:39 492.38852:15 505.08331:10 537.16071:12 537.27362:367 538.28247:7 555.2984:7 561.27295:337 562.27399:16 569.20245:46 579.28552:9 585.85986:12 651.06793:11 741.46942:22 785.75092:33 788.31006:22 802.9801:7 804.55603:40 811.49042:5 811.70807:16 811.82623:8 811.88434:15 811.99268:28 812.18903:54 812.2442:39 812.30664:38 812.38702:58 812.44452:31 812.47278:34 812.51471:59 812.59296:42 812.69037:44 812.78058:49 812.83966:48 812.89868:9 812.93817:39 812.97052:28 813.11316:43 813.19464:17 813.26337:41 813.34235:24 813.53931:20 813.62592:23 813.67133:20 813.72656:35 813.81531:7 813.87439:23 814.00256:13 814.07074:22 814.18988:40 814.23792:19 814.38586:25 814.41302:27 814.51532:7 814.54651:5 814.61389:7 814.76538:9 814.81116:46 814.89008:11 815.06763:9 815.18628:14 815.22137:35 815.30444:37 815.40381:18 815.46228:27 815.53137:26 815.57068:31 815.61029:26 815.65924:28 815.73859:13 815.81757:34 815.86688:19 815.94464:36 816.00684:39 816.06433:10 816.10382:13 816.1731:24 816.24933:34 816.32104:12 816.36951:15 816.4281:20 816.5285:18 816.62122:41 816.6629:14 816.72668:28 816.77795:36 816.84534:41 816.93335:53 816.99377:66 817.02374:52 817.16034:143 817.5155:318315 3531745 3583952 3660235 232 0 0 0 2196916 2209318 2136228 2219890 2241409 2157057 2155174 0 1665264 1758290 1543951 1767673 1809351 1625333 3856652 3728736 4035836 77.3395284016927 0 1655835.04166667 1734119.125 3873741.33333333 3591977.5 2187998.78571429 133.955992625148 0 107480.02441045 96488.7135928181 154262.082300166 64619.5664741919 38984.5452293354 904 9.275 818.59045 w/o MS2:PC O-16:0_18:2;1O [M-H]- 0.125 False 9.18 818.59167 C42H82NO8P EtherOxPC HAFZJEGLVWLWQH-UHFFFAOYSA-N O=C(OC(COCCCCCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C)CCCCCCC(O)C=CCC=CCCCCC 530 True True False False False null null 99.3 100 null null null 96.71 B. cold 1 818.59045:5658 819.5938:6867 820.59716:0 5787 4352 7315 0 236 0 0 10983 12162 10650 10010 9850 9885 9740 0 21815 23688 18070 48097 40441 33632 5072 3994 4964 78.619639078776 0 21191.12890625 40723.0494791667 4676.35677083333 5818.36214192708 10468.5083705357 136.173209357168 0 2860.58150282118 7236.60145126341 593.5445027242 1481.87741749721 878.481985976732 905 6.954 818.59387 w/o MS2:Cer 12:0;2O/15:4;O(FA 22:6) [M-H]- 0.542 True 10.76 818.59399 C49H77NO5 Cer_EODS LFLZYXADNQSWQT-UHFFFAOYSA-N O=C(OCCC=CCC=CCC=CCC=CCC(=O)NC(CO)C(O)CCCCCCCCC)CCC=CCC=CCC=CCC=CCC=CCC=CCC 530 True True False False False null null 100 99.9 null null null 162.47 P. cold 3 818.59387:13955 819.59722:6979 820.60058:1624 59.01369:533 60.0143:31 61.99565:5 168.04066:163 185.36478:12 224.07028:54 255.14845:25 255.23218:1464 255.35822:24 255.69518:32 256.05447:10 256.2016:17 256.23694:41 279.82834:22 279.92526:8 281.15802:10 281.24844:5160 281.31766:43 281.33237:15 281.39096:27 281.43619:18 281.46188:27 281.48856:7 281.53476:18 281.58115:20 281.62173:16 281.70291:10 281.74927:5 281.79007:9 281.84213:16 281.86523:5 282.08624:7 282.25006:130 282.3587:5 283.76553:25 395.38953:35 419.25613:33 459.16483:13 462.29541:28 463.29761:11 478.10956:9 480.17474:11 480.26602:103 480.30817:143 488.31229:48 506.31812:6 744.44366:23 744.55127:416 744.84955:21 746.10547:23 746.36859:7 748.15387:9 757.46417:9 165104 164568 170718 1783 0 0 0 48606 46238 45429 62578 45697 62513 64161 0 11590 10615 8328 7875 11840 9763 113963 126198 122720 594.475219726563 0 10177.8616536458 9825.98404947917 120960.020833333 166796.552083333 53603.0412946429 1029.66128440708 0 1674.22877431921 1983.13153471505 6304.42561555463 3407.05842328698 8943.6778256561 906 5.239 819.53094 SQDG 34:1|SQDG 16:0_18:1 [M-H]- similar chromatogram in higher mz_1259 0.792 True 8.66 819.52979 C43H80O12S SQDG SQOJCPIJIDPYDD-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCCC=CCCCCCCCC)COC1OC(CS(=O)(=O)O)C(O)C(O)C1O)CCCCCCCCCCCCCCC 430 True True True False True null null 86.2 99.9 100 82.1 66.7 960.87 P. room temp 3 819.53094:89246 820.53429:54447 821.53765:17948 44.99765:25 47.06334:16 78.98548:62 80.96593:41 94.98178:24 106.97433:56 129.97935:12 136.6048:25 148.98087:60 148.99353:15 152.98769:17 164.98578:29 207.00084:15 224.93253:38 225.00368:83 225.04655:11 277.17926:17 277.21069:162 389.12225:14 439.22433:16 463.33087:7 513.30402:47 514.1698:31 537.27307:42 563.28613:50 587.37555:23 607.29169:28 740.54895:16 740.84894:14 759.6106:80 764.40033:20 773.51733:129 793.5387:8 806.42957:16 807.52008:64 814.08356:7 814.33551:9 814.46448:11 814.52551:26 814.59863:16 814.62421:25 814.97931:22 815.19635:13 815.29004:8 815.38379:19 815.48242:11 815.74768:37 815.78717:17 816.42139:19 816.47937:5 816.76575:22 816.7973:31 817.03241:15 817.46704:15 817.87268:14 818.16895:24 818.59308:7 818.69708:18 818.79144:13 818.86072:53 819.03864:36 819.09473:24 819.1413:33 819.284:116 819.53046:66991 625254 620102 639517 1251 0 0 0 315358 324768 321085 320344 311404 304261 306412 0 156228 181661 140897 124285 134089 120536 671169 657809 696777 417.088297526042 0 159595.317708333 126303.3984375 675251.479166667 628291.020833333 314804.508928571 722.418122557509 0 20589.1556442143 6998.41809186285 19802.1889044507 10057.2701809929 7776.96534084262 911 8.335 820.66119 w/o MS2:RIKEN N-VS1 ID-6383 from Mouse_Ear_fads2KO_N_Ctr [M-H2O-H]- adduct linked to 941_[M-H]- 0.125 False 13.15 820.66071 Unknown 530 True True False False False null null 99.9 99.9 null null null 63.63 B. room temp 2 820.66119:3274 821.66454:1860 822.6679:0 0 0 0 0 0 0 0 10011 8187 8154 8790 7543 8895 8540 0 22515 22046 18312 22389 16524 11267 0 0 0 0 0 20957.640625 16726.9186197917 0 0 8588.50411551339 0 0 2303.03711374949 5563.80970967133 0 0 775.020316843113 912 5.739 821.54413 w/o MS2:SM 38:7;3O [M+FA-H]- ion correlated with 145; adduct linked to 933_[M+CH3COO]- 0.792 True 8.22 821.54498 C43H75N2O7P SM OPIWTZRZMKIORI-UHFFFAOYSA-N O=C(NC(COP(=O)([O-])OCC[N+](C)(C)C)C(O)C(O)CCCC=CCCC)CCCCCCC=CCC=CCC=CCC=CCC=CCC=CCC 530 True True False False False null null 99.9 100 null null null 290.49 P. room temp 1 821.54413:28228 822.54748:17046 823.55084:4343 44.99786:481 72.99481:23 225.01736:10 241.20882:26 259.20462:49 276.98044:28 277.21671:915 277.32874:18 277.41025:18 277.72092:12 278.22156:23 279.18622:18 279.23215:929 279.36472:5 279.72867:7 339.19922:8 477.30261:40 513.30853:247 513.6217:6 514.31183:12 515.25177:31 515.31958:24 544.9234:17 583.30878:22 775.37183:6 775.44806:32 775.53522:816 775.60382:21 775.73914:8 775.86169:5 775.93854:8 776.06073:12 776.15045:11 776.33356:13 776.53577:74 785.63275:13 819.55756:8 820.58209:15 821.29736:33 821.36078:126 821.54327:14361 821.74457:24 821.81732:37 821.85376:54 821.92633:63 822.0022:40 188238 199565 215950 0 0 0 0 92782 83260 81216 88489 84379 83851 84972 0 72047 64726 46818 80770 85458 64224 217127 196296 223184 0 0 61197.2526041667 76817.3385416667 212202.171875 201250.90625 85563.9955357143 0 0 12979.8068159215 11155.560871689 14104.5230614255 13932.7666108572 3863.45252530432 913 7.492 821.60699 w/o MS2:PA 17:0_28:4 [M-H]- 0.167 False 13.07 821.60663 C48H87O8P PA PFFGHHSNLIXFCL-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCCCCCCCCCC=CCC=CCC=CCC=CCC)COP(=O)(O)O)CCCCCCCCCCCCCCCC 530 True True False False False null null 99.9 99.8 null null null 154.66 P. cold 3 821.60699:8791 822.61034:5783 823.6137:1840 59038 62487 61768 0 0 0 0 18549 17916 17584 15683 15296 16217 15530 0 2399 2495 395 6967 4964 4554 24448 18678 38310 0 0 1762.89130655924 5494.98779296875 27145.4251302083 61097.8190104167 16682.2745535714 0 0 1185.89245201415 1291.4272251721 10090.4102536543 1819.67790952192 1309.21044624597 914 7.891 822.6441 w/o MS2:CL 12:0_17:0_28:0_28:0 [M-H2O-H]- adduct linked to 947_[M-H]-; adduct linked to 881_[M+FA-H]- 0.542 False 15 822.64319 C94H184O17P2 CL YXWBVVUJQYMYQL-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCCCCCC)COP(=O)(O)OCC(O)COP(=O)(O)OCC(OC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCC 530 True True False False False null null 99.6 99.7 null null null 123.94 B. room temp 1 822.6441:11415 823.64745:6487 824.65081:5011 9792 13812 15082 238 0 0 0 42519 37803 38491 37118 39471 37702 40210 0 89167 92110 69597 76770 77271 63104 16692 10332 15979 79.3931223551432 0 83624.7708333333 72381.4583333333 14334.3499348958 12895.462890625 39044.6651785714 137.512921690641 0 12236.9080595446 8038.52988416593 3484.3212115764 2761.35100386283 1869.54001730253 915 6.179 823.55963 w/o MS2:SM 38:6;3O [M+FA-H]- ion correlated with 867; adduct linked to 939_[M+CH3COO]- 0.542 True 8.5 823.56073 C43H77N2O7P SM CHSZWNZFSRBOJE-UHFFFAOYSA-N O=C(NC(COP(=O)([O-])OCC[N+](C)(C)C)C(O)C(O)CCCC=CCCC)CCCCCCCCCC=CCC=CCC=CCC=CCC=CCC 530 True True False False False null null 99.8 100 null null null 227.53 P. room temp 3 823.55963:18302 824.56298:9923 825.56634:2274 44.99789:674 45.05957:9 59.01351:20 119.04076:8 253.08974:38 267.22739:7 279.23254:2039 279.39398:7 279.42902:13 279.51566:20 279.57053:7 280.13126:5 280.24005:98 303.23337:63 353.33963:26 477.30118:59 515.32294:323 516.3208:9 671.46094:17 763.53186:52 772.84479:17 777.40485:41 777.49304:131 777.5484:1144 778.04181:8 778.0697:14 778.21429:9 778.32025:37 778.55304:90 778.65778:20 779.05316:9 779.11102:8 811.55981:33 822.30518:16 822.64703:8 822.97906:13 823.26654:41 823.33264:45 823.38507:42 823.5564:6755 823.65564:41 823.75244:36 823.81537:14 823.85187:14 823.91882:14 823.98956:40 824.02795:34 117917 117729 118534 0 0 0 0 62326 57450 57838 54746 53218 57472 55616 0 15711 18454 19265 23432 26086 24234 122532 128790 135961 0 0 17809.7395833333 24583.830078125 129094.390625 118059.739583333 56952.1780133929 0 0 1862.51323088621 1361.15645986692 6719.53903411943 421.310108590942 2909.05603583135 916 8.154 824.60815 w/o MS2:HexCer 16:2;2O/28:6 [M-H]- ion correlated with 963; ion correlated with 728 0.542 False 10.46 824.60461 C50H83NO8 HexCer_NS HTGDFQGXISZHHQ-UHFFFAOYSA-N O=C(NC(COC1OC(CO)C(O)C(O)C1O)C(O)C=CCCC=CCCCCCCC)CCCCCCCCC=CCC=CCC=CCC=CCC=CCC=CCC 530 True True False False False null null 93.9 100 null null null 305.31 B. room temp 3 824.60815:19560 825.6115:11790 826.61486:3201 25827 31583 35465 3388 1357 789 1478 125665 128010 136386 131074 130089 132418 129728 3824 208272 195186 208146 200922 178540 184745 31429 30644 27610 2856.35652669271 1133.62359619141 203868 188068.927083333 29894.5110677083 30958.0865885417 130481.224330357 1316.75999665137 487.596477720592 7518.75801263016 11555.4527681454 2016.5145661493 4848.95152588597 3391.21765473365 917 8.752 824.65735 w/o MS2:RIKEN N-VS1 ID-6446 from Mouse_Brain_fads2KO_N_Ctr [M+Hac-H]- adduct linked to 775_[M-H2O-H]- 0.042 False 11.82 824.65778 Unknown 530 True True False False False null null 99.9 100 null null null 82.41 P. cold 1 824.65735:4188 825.6607:1959 826.66406:692 33636 30060 28594 238 0 0 0 25150 25356 24329 23082 23561 20799 20856 0 14740 13182 14406 11377 17120 12777 26357 21204 28397 79.4125315348307 0 14109.330078125 13758.2353515625 25319.3177083333 30763.158203125 23304.6587611607 137.546539375992 0 820.593087531552 2994.62875083898 3707.28986324211 2593.36256825665 1873.20874349063 918 8.353 824.65765 w/o MS2:RIKEN N-VS1 ID-6446 from Mouse_Brain_fads2KO_N_Ctr [M-H2O-H]- adduct linked to 952_[M-H]-; adduct linked to 886_[M+FA-H]- 0.333 False 11.82 824.65778 Unknown 530 True True False False False null null 100 99.9 null null null 136.55 P. cold 1 824.65765:8430 825.661:5244 826.66436:1521 69551 60894 60593 0 0 0 0 42275 46802 45526 41322 46690 35084 37636 0 23291 20323 20591 16621 20383 17126 53840 49214 57960 0 0 21401.5735677083 18043.296875 53671.3958333333 63679.4739583333 42190.8069196429 0 0 1641.62124134144 2041.90815581278 4375.44303560423 5087.39159297131 4558.0956845742 919 6.279 826.56006 w/o MS2:PC O-15:0_20:5;1O [M+FA-H]- adduct linked to 946_[M+CH3COO]- 0.5 False 8.59 826.56042 C43H78NO8P EtherOxPC VLCLQTUNSSDWSB-UHFFFAOYSA-N O=C(OC(COCCCCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C)CCCC=CC(O)C=CCC=CCC=CCC=CCC 530 True True False False False null null 99.9 100 null null null 71.97 P. room temp 2 826.56006:4273 827.56341:2363 828.56677:811 35576 34999 37619 0 0 0 0 32343 29690 30149 27085 27699 28456 27505 0 23920 21956 20281 30284 32954 30311 35850 38108 34317 0 0 22052.5677083333 31182.75390625 36091.6809895833 36064.6666666667 28989.6732700893 0 0 1821.55025425244 1533.6627732722 1906.58512825757 1376.82813018849 1864.73925356357 920 7.651 826.58691 w/o MS2:RIKEN N-VS1 ID-6467 from Mouse_Feces_WT_N_Ctr [M-H]- ion correlated with 662 0.792 False 12.61 826.5885 Unknown 530 True True False False False null null 98.7 99.9 null null null 232.64 B. room temp 2 826.58691:19386 827.59026:14870 828.59362:4350 45721 51776 54753 0 0 0 0 86843 89300 87627 78256 78673 79694 78572 0 148949 153579 119929 124716 123487 113974 59658 54037 60062 0 0 140819.244791667 120725.640625 57919.0859375 50750.2903645833 82709.3069196429 0 0 18238.9332635537 5879.31441620863 3367.85192331058 4602.67332570805 4950.34757131016 921 8.595 826.62354 w/o MS2:CL 12:0_18:3_28:0_28:0 [M-H]- 0.792 True 14.71 826.6275 C95H180O17P2 CL PGFITEHQJSAUHP-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCCCCCC)COP(=O)(O)OCC(O)COP(=O)(O)OCC(OC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCC)CCCCCCCC=CCC=CCC=CCC 530 True True False False False null null 97.7 99.8 null null null 359.08 QC-2 826.6239:23853 827.62725:15532 828.63061:5054 33.63317:60 98.93902:57 99.92783:45 100.93389:1049 126.95206:43 126.99944:67 128.96896:25 132.8831:49 156.99379:14 158.49155:11 158.8848:21 158.97537:14640 159.04655:74 159.06633:44 159.10052:16 159.1441:10 159.19276:6 159.25497:32 159.2756:49 159.30177:20 159.3105:9 159.34975:9 159.39467:38 159.49374:9 159.58423:13 159.62032:13 159.64255:13 159.72054:14 159.83865:9 159.97607:158 160.09651:17 161.20457:13 279.22803:16 766.6543:40 780.60925:46 826.46509:31 826.62115:821 826.70746:52 826.74445:68 826.80292:22 826.82733:43 827.01154:53 827.07129:13 123300 112376 121019 3151 926 941 304 203234 210671 218194 196996 208455 171313 185788 3226 146004 126827 207390 137196 180513 166222 115663 119095 130313 2434.43416341146 622.602020263672 160073.841145833 161310.348958333 121690.5 118898.263020833 199235.861607143 1306.56921798587 450.859509670413 42084.3182131491 22072.3920684223 7662.38371623634 5762.33826592243 16107.4290266178 922 5.079 827.55579 w/o MS2:RIKEN N-VS1 ID-6480 from Mouse_Muscle_WT_CTX14_Ctr [M-H]- 0.042 False 13.02 827.55548 Unknown 530 True True False False False null null 100 99.7 null null null 71.15 IS 2 827.55579:3558 828.55914:118134 829.5625:53109 8770 8145 8946 0 0 19423 26802 8344 7542 7475 7093 7785 7552 7866 0 12651 13527 10146 11991 12890 7912 8717 7459 8417 0 23112.3427734375 12108.1292317708 10930.9544270833 8197.56656901042 8620.50179036458 7665.16880580357 0 5217.59316410681 1754.80935176947 2652.93449719093 656.869846541977 420.719073789366 389.03472812002 923 5.074 828.56311 PI 33:0|PI 15:0_18:1(d7) [M-H]- adduct linked to 1286_[2M-H]-; similar chromatogram in higher mz_1276 0.875 True 8.32 828.56262 C42H72D7O13P PI XCKYASHMOHAUQB-OAFUKSMZNA-N [C@]([H])(OC(CCCCCCC/C=C\CCCCCC([2H])([2H])C([2H])([2H])C([2H])([2H])[2H])=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](O)C(O)C(O)C1O)COC(CCCCCCCCCCCCCC)=O 410 True True True False True null null 84.1 99.9 100 70.6 66.7 689.04 P. cold 3 828.56274:27055 829.56609:13509 830.56945:3353 41.06812:12 241.01141:80 241.21793:113 288.28247:37 296.14554:66 315.04358:13 377.20963:53 442.26999:30 446.10056:47 557.26508:48 604.31079:19 746.50244:81 747.79675:14 748.24976:9 784.58875:12 810.56525:46 823.1698:19 823.47418:8 823.62494:19 823.68243:9 823.81262:54 823.8609:30 823.91077:19 824.05927:13 824.47583:10 828.23273:6 828.56238:18603 828.75751:32 828.81702:20 828.87378:10 828.92664:33 828.98163:43 829.03088:54 194610 196445 195814 0 0 472192 646690 189983 182978 180884 177704 179276 179854 176442 0 273580 310784 274744 296462 319800 189891 201152 172677 197287 0 559441.078125 286369.46875 268717.880208333 190372.046875 195622.984375 181017.386160714 0 123388.255064665 21151.6630862783 69256.2552124417 15445.5538400862 932.534881086686 4482.21749863334 924 8.155 828.60284 w/o MS2:HexCer 17:1;2O/26:6;O [M-H]- ion correlated with 653; ion correlated with 667; adduct linked to 885_[M-H2O-H]- 0.542 True 9.69 828.59949 C49H83NO9 HexCer_HS FNGIYQLRZIWXHH-UHFFFAOYSA-N O=C(NC(COC1OC(CO)C(O)C(O)C1O)C(O)C=CCCCCCCCCCCCC)C(O)CCCCCC=CCC=CCC=CCC=CCC=CCC=CCC 530 True True False False False null null 98 100 null null null 288.91 P. cold 1 828.60284:24525 829.60619:16774 830.60955:4793 83.92984:23 100.93311:1141 101.06701:14 158.97498:10405 159.01878:41 159.05682:59 159.09573:16 159.11394:19 159.15549:36 159.19189:10 159.24414:38 159.25726:15 159.30962:14 159.36591:17 159.44485:9 159.50255:20 159.59:8 159.63249:18 159.66695:10 159.84215:23 159.97688:115 669.62408:59 670.36768:38 670.65399:14 734.54071:33 768.57452:18 768.65112:19 770.53717:7 777.13361:40 828.37811:23 828.46533:33 828.60028:1722 828.68719:22 828.84686:17 828.94586:24 829.06525:20 829.08514:26 230068 204974 201383 771 0 0 0 73902 75787 77548 68628 70940 63738 65556 476 11266 10171 13276 11492 13406 11129 192706 193686 210015 415.684834798177 0 11571.2395833333 12008.9296875 198801.994791667 212141.65625 70871.22265625 388.88197523958 0 1574.90352523829 1223.82110735087 9722.85214254161 15628.1836100743 5198.03903350764 925 6.831 828.62164 w/o MS2:HexCer 16:0;2O/22:2;O [M+Hac-H]- ion correlated with 896; adduct linked to 896_[M+FA-H]- 0.792 True 10.16 828.62061 C44H83NO9 HexCer_HDS ZNHFESJIAOALSM-UHFFFAOYSA-N O=C(NC(COC1OC(CO)C(O)C(O)C1O)C(O)CCCCCCCCCCCCC)C(O)CCCCCCCCCCC=CCC=CCCCCC 530 True True False False False null null 99.8 99.9 null null null 573.86 B. room temp 2 828.62164:60864 829.62499:42165 830.62835:9437 59.01483:16 89.02349:229 91.95193:11 113.02479:72 119.02036:67 119.03502:122 125.02788:17 149.03574:25 155.03867:23 156.98085:18 161.04613:35 179.05528:79 189.09099:24 297.14523:57 309.28076:20 327.29214:39 394.1196:12 505.34637:8 588.44653:20 588.48938:26 588.5321:188 588.60675:5 606.50494:60 606.54211:115 607.55206:6 669.75189:6 763.67554:18 763.87982:24 764.07196:10 764.18292:12 764.31921:16 764.55804:21 765.26526:18 766.21185:16 767.02588:6 767.33832:32 767.75165:8 767.8269:14 767.93787:13 768.08771:10 768.15479:27 768.28741:14 768.36145:70 768.40369:165 768.59943:45561 769.05035:126 769.07605:62 769.12744:66 769.17926:40 769.26331:117 769.31464:40 769.35199:43 769.43085:48 769.52106:89 769.60059:1685 769.75769:56 769.82922:43 769.86774:42 769.94788:25 769.98022:17 770.0614:47 770.13843:41 770.21515:24 770.25354:25 770.28229:57 770.33411:16 770.42889:64 770.46448:26 770.54901:17 770.66614:25 770.71393:21 770.75922:17 770.79065:51 770.94342:27 771.04968:9 771.11481:8 771.16986:6 771.28961:51 771.35779:9 771.45276:21 771.55695:9 771.59668:14 771.62549:10 771.92334:12 772.01263:11 772.1535:11 773.53693:17 775.57568:20 779.69971:12 788.40247:7 806.64557:13 828.49927:49 828.61633:438 828.7887:21 47297 44358 43861 0 0 0 0 239653 186331 183412 180357 179801 174845 174637 0 365144 436448 330261 396895 388747 357879 54008 52028 56729 0 0 377284.427083333 381173.333333333 54254.9401041667 45172.16796875 188433.696428571 0 0 54124.530711017 20581.1507190024 2360.19191125982 1856.82706280092 22977.5166106001 926 4.413 830.49622 w/o MS2:LPS-N (FA 22:6)18:2 [M-H]- 0.042 False 7.96 830.4978 C46H74NO10P LNAPS QWYFQOPGIACEIN-UHFFFAOYSA-N O=C(OCC(O)COP(=O)(O)OCC(NC(=O)CCC=CCC=CCC=CCC=CCC=CCC=CCC)C(=O)O)CCCCCCCC=CCC=CCCCCC 530 True True False False False null null 98.7 99.9 null null null 87.69 P. room temp 2 830.49622:4384 831.49957:2514 832.50293:456 23537 22468 18473 0 0 0 0 17032 18158 16798 17034 17012 15776 16644 0 11634 12368 12706 12537 13994 15443 20921 49192 13788 0 0 12236.068359375 13991.1819661458 27966.8209635417 21492.5553385417 16921.9740513393 0 0 548.373405595961 1453.0335721794 18724.0649416105 2669.06381809059 703.139657963275 927 4.502 831.50385 PI 34:3|PI 16:0_18:3 [M-H]- 0.792 True 8.1 831.50293 C43H77O13P PI UHAJRYVOXHROHT-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCCC=CCC=CCC=CCC)COP(=O)(O)OC1C(O)C(O)C(O)C(O)C1O)CCCCCCCCCCCCCCC 410 True True True False False null null 100 99.9 92.6 76 100 645.84 QC-5 831.50317:26420 832.50652:18303 833.50988:3569 78.95719:77 96.96511:47 133.01537:27 152.99522:61 161.22169:5 207.01006:24 223.00179:62 241.01263:184 242.01974:9 255.20346:25 255.23206:241 255.39117:8 259.02094:7 277.17419:28 277.21576:195 277.34103:9 293.21005:21 297.03696:64 391.22391:184 409.17697:9 409.23544:79 415.07236:31 444.46216:6 553.18988:22 553.21893:24 553.27197:107 571.28845:26 575.21832:45 733.11682:7 733.50732:26 767.44348:61 798.46594:10 798.60339:8 799.38696:37 799.47357:52 800.50073:11 826.96606:14 829.5517:14 830.82605:18 831.22449:18 831.25433:25 831.36444:243 831.50293:18557 831.71478:91 831.8075:76 831.83704:49 831.99567:64 248220 262662 271869 0 0 0 0 226929 221806 218067 206297 207038 212049 210019 0 256152 263336 198458 331088 342001 302734 244230 241719 251351 0 0 239315.53125 325274.25 245766.619791667 260917.09375 214600.845982143 0 0 35565.1839854128 20268.4075377473 4996.60967736161 11920.7676551588 7848.26216340075 928 6.822 831.59631 Unknown [M-H]- ion correlated with 818 0.792 True null null null null null null 999 True False False False True null null null null null null null 975.59 B. cold 3 831.59631:76146 832.59966:43044 833.60302:11171 61.94081:17 61.98827:6278 62.0197:24 62.02898:39 62.0442:17 62.05508:8 62.0932:21 62.10409:15 62.12865:11 62.15584:14 62.21579:34 62.29485:10 62.34395:18 62.36669:23 71.01328:29 89.02362:67 112.04795:11 112.81153:13 191.92834:21 199.44913:5 368.5553:26 410.21857:8 433.59207:48 479.99164:5 501.33109:40 589.53613:31 705.50183:33 768.5838:13 769.59119:45 770.36414:7 770.60437:70 771.34369:17 771.46832:33 771.60974:527 771.75787:10 771.79626:14 771.8443:16 771.8999:13 772.74695:16 773.43872:18 773.87122:5 810.03284:37 826.86914:11 826.96692:15 827.59308:16 831.00616:36 831.24524:33 831.29578:59 831.37604:117 831.43591:235 831.59595:33950 831.90387:121 832.02716:123 832.09137:97 147073 152617 153833 303 0 0 0 325374 332380 325669 362625 350536 367928 357846 0 504396 552991 462482 557894 559644 560278 156808 148162 175256 100.950907389323 0 506623.03125 559272.229166667 160075.265625 151174.291666667 346051.075892857 174.852100668488 0 45295.3650271674 1234.68605943559 13839.3441240345 3603.37836440253 17992.4419140706 929 2.416 831.6239 w/o MS2:SM 24:1;2O(FA 14:0) [M-H]- 0.208 False 9.63 831.62329 C43H85N2O7P ASM PVCVBKCNCPQEAY-UHFFFAOYSA-N O=C(OC(C=CCCCCCCC)C(NC(=O)CCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C)CCCCCCCCCCCCC 530 True True False False False null null 99.8 99.7 null null null 72.22 B. cold 2 831.6239:4746 832.62725:2759 833.63061:799 0 0 0 0 0 0 0 13606 13899 13702 13367 14328 14381 14570 0 25523 22598 24432 20730 32421 18285 511 240 520 0 0 24184.4309895833 23811.984375 423.564229329427 0 13979.2254464286 0 0 1478.03062380956 7554.93429347713 159.365696014338 0 452.582806669185 930 4.941 833.51971 PI 34:2|PI 16:0_18:2 [M-H]- adduct linked to 1288_[2M-H]- 0.792 True 8.18 833.51862 C43H79O13P PI BSNJSZUDOMPYIR-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCCC=CCC=CCCCCC)COP(=O)(O)OC1C(O)C(O)C(O)C(O)C1O)CCCCCCCCCCCCCCC 410 True True True False False null null 100 99.9 100 73.7 100 1353.69 B. cold 1 833.52051:64376 834.52386:51894 835.52722:11188 52.35105:14 62.91:9 78.93893:33 78.95931:172 121.28123:31 127.73115:15 152.99568:119 153.02837:33 223.00053:42 241.01105:460 251.05856:49 255.18906:38 255.23193:254 259.02121:32 279.23279:282 279.83835:14 281.2504:14 297.0372:80 391.2222:72 411.48312:31 415.22668:11 475.18256:25 550.39008:20 553.27289:214 553.7757:10 571.28894:22 577.27844:29 578.27197:17 595.28723:50 666.70428:19 827.96747:5 828.17963:13 828.289:6 828.37854:24 828.4212:18 828.62024:8 828.67694:9 828.84106:12 829.20416:11 829.66199:14 830.08002:7 832.85321:20 832.89124:30 832.96155:17 833.02881:40 833.17944:48 833.51843:54360 716188 722816 747001 488 0 0 0 427577 436407 412224 411676 411762 409509 406825 0 226744 237149 179394 396035 293188 238446 747604 749075 769365 162.664835611979 0 214429.104166667 309222.859375 755348.208333333 728668 416568.674107143 281.743759884787 0 30784.4653333375 80008.6513447918 12161.3119830773 16218.7195794512 10995.7785772751 931 4.451 834.55023 w/o MS2:PC O-15:0_18:3;3O [M-H]- 0.042 False 7.69 834.55017 C41H78NO10P EtherOxPC RXKPYADCGMAWJO-UHFFFAOYSA-N O=C(OC(COCCCCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C)CCCCCC=CC(O)C=CC(O)C(O)CC=CCC 530 True True False False False null null 100 99.9 null null null 71.92 P. room temp 2 834.55023:3596 835.55358:2194 836.55694:478 10894 9474 15267 0 0 0 0 7335 6731 6966 7450 6780 6897 6398 0 694 990 0 1544 997 883 13086 27875 15996 0 0 561.154805501302 1141.20576985677 18985.5764973958 11878.3736979167 6936.71770368304 0 0 507.964342752174 353.436390573376 7834.96241678575 3019.16908097674 360.853120863297 932 5.403 835.53491 PI 34:1|PI 16:0_18:1 [M-H]- 0.542 True 8.49 835.53418 C43H81O13P PI PDLAMJKMOKWLAJ-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCCC=CCCCCCCCC)COP(=O)(O)OC1C(O)C(O)C(O)C(O)C1O)CCCCCCCCCCCCCCC 410 True True True False False null null 100 100 93.7 73.2 100 228.79 P. cold 3 835.53491:23179 836.53826:15780 837.54162:3604 78.96033:62 96.9688:17 152.99307:41 222.99841:111 234.2357:14 240.97334:24 241.01102:141 241.6443:25 255.23528:70 259.02832:7 277.21719:79 279.22064:71 280.20923:11 281.24667:177 297.03897:112 306.2496:20 371.14804:23 391.22281:131 479.32025:18 488.29623:24 514.31232:18 553.27277:54 557.26251:21 657.54828:17 753.41095:32 753.46716:94 817.45673:22 830.31067:18 832.72192:11 835.29303:25 835.53381:14245 835.68488:54 835.74597:33 835.7962:87 835.8598:34 835.99365:55 146619 154683 165682 4038 0 0 0 62785 66820 64923 62407 64509 59862 61820 0 8819 11619 7948 11774 13304 13057 127658 125783 130490 1346.0673828125 0 9462.02115885417 12711.7506510417 127977.049479167 155661.692708333 63303.68359375 2331.45709744252 0 1918.34251962084 821.719177801516 2369.39569419035 9569.09711080155 2293.41438177114 933 5.734 835.56116 MGDG 36:5|MGDG 18:2_18:3 [M+CH3COO]- adduct linked to 912_[M+FA-H]- 0.792 True 9.15 835.55768 C45H76O10 MGDG DRLQFBRXASRGDP-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCCC=CCC=CCC=CCC)COC1OC(CO)C(O)C(O)C1O)CCCCCCCC=CCC=CCCCCC 410 True True True False False null null 100 99.9 90.2 80.4 100 363.58 P. room temp 1 835.55835:35093 836.5617:21082 837.56506:5368 59.01428:633 59.12885:20 60.7881:14 73.02455:29 89.02632:14 113.02416:56 119.01246:15 119.0338:24 145.05466:33 161.02797:47 161.04324:60 179.05409:69 235.02905:23 235.08151:275 251.20168:83 253.09317:504 253.4017:13 254.09525:35 275.88718:12 276.86951:49 277.13562:102 277.21671:12590 277.28842:61 277.32504:15 277.38834:44 277.47928:51 277.50677:31 277.53552:12 277.57593:14 277.61237:12 277.63956:13 277.66537:20 277.70383:8 277.73666:18 277.76144:30 277.84204:6 277.88232:29 277.92709:23 277.95724:11 278.01443:8 278.03754:22 278.15942:20 278.19348:37 278.22229:81 278.36948:12 278.423:12 278.93015:23 279.12292:28 279.1568:43 279.23273:9755 279.30045:38 279.33237:28 279.34735:62 279.40512:78 279.43976:28 279.5322:46 279.56696:20 279.5842:22 279.61389:30 279.63794:25 279.67661:30 279.69397:19 279.72311:17 279.75082:19 279.77908:7 279.81567:52 279.8616:10 279.93097:14 279.9483:16 280.20273:24 280.23697:141 280.53253:19 292.09113:9 293.28516:8 305.25037:7 423.2782:38 425.39963:22 439.25858:32 497.30804:38 513.15265:13 513.26001:110 513.30658:1340 513.36328:7 513.43481:9 513.66473:29 513.73132:6 514.01331:8 515.07928:10 515.18225:10 515.26971:35 515.32214:788 515.44794:11 515.61267:10 518.99365:45 537.21729:29 541.31573:9 669.4306:14 695.98871:27 775.53455:685 775.59998:13 775.66888:13 776.46832:8 776.54816:12 791.53339:26 835.49359:79 835.54211:186 835.89215:11 327446 322966 325518 0 0 0 0 155391 150085 142429 149799 153949 158480 159978 0 45513 53179 60118 75516 94438 86495 297327 313936 327535 0 0 52936.5924479167 85482.9973958333 312932.479166667 325309.770833333 152873.212053571 0 0 7305.70261157949 9501.47705485296 15129.2382548884 2247.2601385261 5996.11175668345 934 8.209 836.61761 w/o MS2:PE 7:0_36:4 [M-H]- 0.167 False 12.48 836.61749 C48H88NO8P PE DVCMLDGYWOBYQX-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCCCCCCCCCCCCCCCCCC=CCC=CCC=CCC=CCC)COP(=O)(O)OCCN)CCCCCC 530 True True False False False null null 100 99.9 null null null 73.32 P. room temp 1 836.61761:4152 837.62096:2772 838.62432:616 17706 19397 29784 0 0 0 0 7583 6429 8984 6793 4920 7548 6137 0 1369 527 0 1635 418 2154 34865 30342 25965 0 0 632.237060546875 1402.26788330078 30390.7721354167 22295.6555989583 6913.59730747768 0 0 690.735699115029 891.4280073322 4449.8075726308 6539.80603395974 1288.68108329135 935 8.113 836.65967 w/o MS2:CL 14:0_17:0_28:0_28:0 [M-H]- ion correlated with 1066 0.542 False 15.24 836.65881 C96H188O17P2 CL QSBKMHGXPIYTNS-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCCCCCCCC)COP(=O)(O)OCC(O)COP(=O)(O)OCC(OC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCC 530 True True False False False null null 99.6 99.7 null null null 92.34 B. room temp 2 836.65967:6702 837.66302:3742 838.66638:1276 4950 3848 5136 0 0 0 0 28381 29504 25971 26243 25806 25941 26507 0 55438 53043 43803 47557 50881 41219 6252 4428 4926 0 0 50761.0651041667 46552.5611979167 5201.92936197917 4644.40681966146 26907.50390625 0 0 6143.71559472055 4908.57746752609 942.480929936275 696.276671664608 1445.95382229159 936 3.542 837.4826 w/o MS2:SMGDG O-8:0_28:7 [M-H]- 0.25 False 7.83 837.48279 C45H74O12S EtherSMGDG LPNCVUQBAISOGA-UHFFFAOYSA-N O=C(OC(COCCCCCCCC)COC1OC(CO)C(O)C(OS(=O)(=O)O)C1O)CCCCCC=CCC=CCC=CCC=CCC=CCC=CCC=CCC 530 True True False False False null null 100 99.9 null null null 104.47 B. cold 2 837.4826:6292 838.48595:4112 839.48931:1502 7388 5021 4581 0 0 0 0 19239 19480 18964 19345 19022 17422 21313 0 38491 38552 34560 38265 46496 39855 6947 4126 4443 0 0 37201.2291666667 41538.37109375 5171.75911458333 5663.083984375 19255.1096540179 0 0 2287.4210882743 4366.16007502247 1545.44648987895 1509.81608028527 1139.51911116027 937 6.037 837.53009 w/o MS2:PG 18:3_22:3;1O [M-H]- ion correlated with 1080; similar chromatogram in higher mz_982; similar chromatogram in higher mz_1202 0.167 True 8.44 837.52869 C46H79O11P OxPG AVPBBMDBIRWNAO-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCCC(O)C=CCC=CCC=CCCCCC)COP(=O)(O)OCC(O)CO)CCCCCCCC=CCC=CCC=CCC 530 True True False False False null null 72.5 100 null null null 71.23 P. room temp 2 837.53009:3936 838.53344:2489 839.5368:1949 41.00397:64 44.99631:48 59.01458:716 85.03265:25 89.0242:58 109.73524:18 113.01348:49 133.05186:38 143.02277:15 145.05067:53 161.04573:27 179.05743:32 235.08269:335 251.20094:26 253.04475:36 253.09209:534 253.47247:5 253.99075:6 255.22986:43 277.21671:228 277.83643:28 277.91238:12 278.67798:16 279.15845:190 279.23276:23058 279.35089:45 279.39185:21 279.4501:26 279.47787:36 279.50925:31 279.55548:34 279.59717:34 279.63351:25 279.71085:39 279.72897:21 279.76031:37 279.80972:45 279.85019:31 279.90811:55 279.94635:13 279.99243:9 280.01367:17 280.05832:16 280.0817:16 280.13336:29 280.15665:23 280.20291:16 280.23694:378 280.29547:33 280.39938:11 280.47482:8 280.50955:22 281.19141:22 281.24915:396 281.35513:33 281.63376:6 281.66245:10 282.03366:16 293.27347:25 307.24478:43 307.26578:41 441.28882:23 449.28769:28 497.31604:19 512.18988:15 513.30182:40 514.96198:20 515.22955:46 515.32172:1622 515.44458:7 515.62085:20 515.6601:23 515.76996:39 515.82489:34 516.33356:24 516.40576:7 517.32806:53 542.28125:40 660.41132:12 660.98419:38 759.00555:23 777.02734:19 777.31635:25 777.41272:22 777.55243:705 777.90411:10 777.95392:28 778.01978:11 778.52106:11 778.55963:16 837.43347:26 837.51709:32 837.57263:65 20906 20803 24777 0 0 0 0 18527 17843 18101 16641 15526 16751 15776 0 9680 11488 11476 11929 10756 10859 23422 27524 25710 0 0 10881.5908203125 11181.0693359375 25552.18359375 22162.017578125 17023.6524832589 0 0 1040.65556279067 649.631266262213 2055.43227203908 2264.98846584524 1162.81730706692 938 6.478 837.56897 MGDG 36:4|MGDG 16:0_20:4 [M+CH3COO]- 0.792 True 9.69 837.57343 C45H78O10 MGDG LCWILJJGLGQLIX-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCC=CCC=CCC=CCC=CCC)COC1OC(CO)C(O)C(O)C1O)CCCCCCCCCCCCCCC 410 True True True False False null null 100 99.9 77.4 76.2 100 151.66 QC-7 837.56628:7723 838.56963:5083 839.57299:1277 59.01238:45 111.00887:32 145.04993:47 235.08061:154 235.59515:50 253.08737:131 255.20277:128 255.23116:2006 255.32941:6 255.4785:23 255.51717:11 255.53416:16 255.68446:9 255.98781:5 256.23218:14 259.23685:22 277.21579:28 285.2048:30 302.93405:77 303.22986:1708 303.46014:11 303.56155:16 303.64679:9 433.18704:14 491.26755:22 491.31717:292 492.00027:14 538.91803:12 539.31537:99 777.46838:24 777.5354:133 778.65204:26 837.55914:11 70749 65501 71293 0 0 0 0 57125 51381 54373 52423 54706 53257 53731 0 33310 34506 44054 47901 46323 43276 71756 75802 71877 0 0 37290.2408854167 45833.0807291667 73145.0104166667 69181.0924479167 53856.6183035714 0 0 5888.45124742728 2351.25063069437 2301.86450857575 3198.30314285026 1836.28797925287 939 6.182 837.57562 MGDG 36:4|MGDG 18:2_18:2 [M+CH3COO]- ion correlated with 888; adduct linked to 915_[M+FA-H]-; adduct linked to 833_[M-H]- 0.792 True 9.55 837.57343 C45H78O10 MGDG BROOMPUVDPTGEG-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCCC=CCC=CCCCCC)COC1OC(CO)C(O)C(O)C1O)CCCCCCCC=CCC=CCCCCC 410 True True True False False null null 100 99.9 82.3 67.8 100 367.4 QC-3 837.57349:15308 838.57684:10229 839.5802:2110 54.71892:24 59.01374:498 71.01332:44 71.03695:14 179.05988:16 201.11299:23 235.04643:39 235.08247:63 251.20238:36 253.07343:28 253.0912:341 253.21632:19 255.23254:56 255.71881:10 277.19894:49 277.21851:194 278.06845:26 279.23337:10193 279.30209:22 279.37219:33 279.4184:40 279.47617:30 279.50366:17 279.53394:10 279.56702:24 279.64301:14 279.67838:17 279.72672:9 279.87158:23 279.94287:21 279.96671:18 279.99203:22 280.0946:14 280.14087:6 280.18054:7 280.23694:190 280.41278:8 280.90564:7 281.24759:144 293.22198:30 301.56427:11 303.23477:227 305.25024:22 307.26147:42 313.14648:29 335.1304:9 513.31171:19 515.20801:28 515.25531:91 515.32019:1099 515.45337:9 515.85919:14 516.28705:26 517.33832:112 580.47626:27 777.3855:24 777.43634:35 777.51459:138 777.55103:348 777.65796:11 778.85327:26 837.51953:17 837.57104:95 247509 248524 244440 0 0 0 0 116484 121259 113949 113093 117535 119562 116759 0 37656 42964 42126 53651 56140 56561 252438 267133 275647 0 0 40915.12890625 55450.80078125 265072.453125 246824.317708333 116948.680803571 0 0 2853.36073314161 1572.82403422704 11740.5445712015 2126.67057692468 2883.11193690485 940 5.748 838.53162 Unknown [M-H]- 0.292 False null null null null null null 999 False False False False False null null null null null null null 86.97 QC-2 838.53162:4579 839.53497:2637 840.53833:817 73450 71778 75660 0 0 0 0 39627 40266 35340 39868 38927 38127 37745 0 1713 2395 15111 10204 10191 14408 73279 73463 85413 0 0 6406.41219075521 11600.9134114583 77385.0520833333 73629.2265625 38557.2823660714 0 0 7545.8389095598 2431.18677440745 6952.86709799235 1947.14080415831 1689.08659009642 941 8.331 838.62347 w/o MS2:HexCer 17:2;2O/28:6 [M-H]- ion correlated with 826; ion correlated with 612; adduct linked to 911_[M-H2O-H]- 0.542 False 10.94 838.62018 C51H85NO8 HexCer_NS UNFIRIFLVMDOSA-UHFFFAOYSA-N O=C(NC(COC1OC(CO)C(O)C(O)C1O)C(O)C=CCCC=CCCCCCCCC)CCCCCCCCC=CCC=CCC=CCC=CCC=CCC=CCC 530 True True False False False null null 94.7 100 null null null 258.01 B. cold 1 838.62347:20334 839.62682:12185 840.63018:4432 6164 6802 8161 257 0 0 0 98960 87312 85257 86587 84953 91839 88290 252 209204 206012 172389 219754 173902 167148 8296 12120 3396 169.614420572917 0 195868.463541667 186934.619791667 7937.24926757813 7042.55745442708 89028.2935267857 146.906805447171 0 20396.5046417675 28622.0425433972 4373.34128939987 1020.13910860168 4946.69582828489 942 3.969 839.49854 w/o MS2:SMGDG O-8:0_28:6 [M-H]- 0.75 False 7.97 839.49847 C45H76O12S EtherSMGDG IXJWFIMLQNVGOS-UHFFFAOYSA-N O=C(OC(COCCCCCCCC)COC1OC(CO)C(O)C(OS(=O)(=O)O)C1O)CCCCCCCCC=CCC=CCC=CCC=CCC=CCC=CCC 530 True True False False False null null 100 99.9 null null null 127.69 B. cold 2 839.49854:12108 840.50189:7800 841.50525:2658 29013 29831 29157 0 0 0 0 42893 41149 43631 45756 42769 42734 43214 0 76223 75231 72996 80427 88764 84196 29504 24231 31443 0 0 74816.796875 84462.4348958333 28392.8834635417 29333.7395833333 43163.7321428571 0 0 1652.86659504573 4174.71636540589 3732.19296229105 436.790282604632 1379.10080141421 943 4.29 839.49854 w/o MS2:SMGDG O-8:0_28:6 [M-H]- ion correlated with 981 0.25 False 7.97 839.49847 C45H76O12S EtherSMGDG IXJWFIMLQNVGOS-UHFFFAOYSA-N O=C(OC(COCCCCCCCC)COC1OC(CO)C(O)C(OS(=O)(=O)O)C1O)CCCCCCCCC=CCC=CCC=CCC=CCC=CCC=CCC 530 True True False False False null null 100 99.9 null null null 99.45 B. cold 2 839.49854:6420 840.50189:4357 841.50525:1067 16639 16454 18373 0 0 0 0 22317 20831 20687 22332 22601 20615 22136 0 46001 44970 39033 40459 47940 42943 18188 14103 19117 0 0 43334.5729166667 43780.6302083333 17135.9635416667 17155.49609375 21645.6358816964 0 0 3760.75167480532 3810.07391670661 2667.40096879399 1058.44105785347 887.162078933127 944 6.627 839.58844 w/o MS2:CL 17:0_22:5_28:0_22:6 [M-H]- 0.5 False 13.95 839.58838 C98H170O17P2 CL DRONAQZFNSIPAW-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCC)COP(=O)(O)OCC(O)COP(=O)(O)OCC(OC(=O)CCCCCCCCCCCCCCCC)COC(=O)CCCCCC=CCC=CCC=CCC=CCC=CCC)CCC=CCC=CCC=CCC=CCC=CCC=CCC 530 True True False False False null null 100 99.7 null null null 66.55 P. cold 1 839.58844:4234 840.59179:2388 841.59515:778 44326 43548 45359 0 0 0 0 35516 30663 33263 33826 34085 34231 33148 0 23790 27098 28110 36371 37478 36345 47322 30025 49657 0 0 26332.5345052083 36731.01953125 42334.6217447917 44411.2486979167 33533.0365513393 0 0 2259.70997120481 646.618258051935 10724.2715449603 908.241669329375 1487.01722787375 945 6.17 840.55182 w/o MS2:CL 20:5_22:6_26:0_22:6 [M-H]- 0.167 False 13.62 840.54932 C99H160O17P2 CL OIMBRUPDPRPYRV-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCC=CCC=CCC=CCC=CCC=CCC)COP(=O)(O)OCC(O)COP(=O)(O)OCC(OC(=O)CCCCCCCCCCCCCCCCCCCCCCCCC)COC(=O)CCC=CCC=CCC=CCC=CCC=CCC=CCC)CCC=CCC=CCC=CCC=CCC=CCC=CCC 530 True True False False False null null 96.9 99.7 null null null 64.59 QC-4 840.55182:3628 841.55517:2260 842.55853:528 39125 41039 40190 0 0 0 0 16244 18970 20541 23169 21411 20043 18584 0 5761 6822 8630 8220 9665 8425 41686 38875 52495 0 0 7070.76204427083 8769.96451822917 44352.1822916667 40118.0703125 19851.5458984375 0 0 1450.58038067133 781.547243368437 7190.95029302244 959.123292223194 2211.44151916827 946 6.283 840.57483 PC 36:4|PC 16:0_20:4 [M+CH3COO]- adduct linked to 919_[M+FA-H]- 0.792 True 9.09 840.57599 C44H80NO8P PC JAVWFBAAZSHHAD-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCC=CCC=CCC=CCC=CCC)COP(=O)([O-])OCC[N+](C)(C)C)CCCCCCCCCCCCCCC 410 True True True False False null null 100 100 83.8 87 100 205.77 P. cold 1 840.57532:12179 841.57867:6486 842.58203:1576 52.2424:43 59.01444:137 61.98821:898 62.01674:8 224.06754:35 255.23174:285 281.24014:41 282.24863:36 303.20383:62 303.23239:604 303.52795:11 304.022:12 304.21481:12 309.2735:21 337.99442:24 363.23358:17 480.3107:94 480.86606:15 517.31744:23 518.33966:23 528.31219:17 756.4397:18 762.4657:15 766.33478:15 766.41321:37 766.53845:4122 766.62268:35 766.70648:21 766.82275:27 766.995:21 767.05243:21 767.263:26 767.33954:31 767.42395:17 767.51154:18 767.54523:119 767.62836:10 767.73206:28 767.77991:30 767.914:14 768.02887:9 768.11505:32 768.18451:7 768.61316:6 768.72974:7 769.18805:12 780.56262:36 781.50537:97 789.61945:25 840.44659:30 840.48035:42 840.5769:430 840.70709:16 841.03778:41 101525 92103 104465 0 0 0 0 79718 78214 75062 73057 81277 79050 72716 0 73859 64726 59386 95549 98297 98270 103804 97607 103065 0 0 65990.5872395833 97371.7760416667 101492.166666667 99364.421875 77013.5368303571 0 0 7318.98734148855 1578.43824637766 3384.76926069422 6457.70712791425 3391.7042993777 947 7.894 840.60382 Unknown [M-H]- adduct linked to 914_[M-H2O-H]- 0.792 True null null null null null null 999 True False False False True null null null null null null null 507.08 QC-6 840.60376:29590 841.60711:17034 842.61047:6148 99.92746:53 100.86613:20 100.93335:2961 100.97164:10 100.99074:23 101.13664:9 101.36612:23 101.93409:91 116.92991:27 156.02971:59 156.98216:67 158.86089:15 158.97498:13906 159.02971:56 159.06569:39 159.08701:32 159.10501:63 159.12669:64 159.16592:29 159.185:29 159.2122:8 159.25311:21 159.29553:8 159.30991:40 159.34158:8 159.36659:8 159.47562:23 159.48447:12 159.5629:30 159.66472:14 159.7419:16 159.79431:18 159.83363:8 159.89915:16 159.97362:91 160.3364:23 283.55792:14 631.92883:18 655.00824:37 680.61548:45 681.6167:69 682.63629:17 780.50977:20 780.57733:34 840.00671:53 841.09729:13 101096 107810 124280 528 0 0 0 298553 288642 297817 276166 279075 282213 283414 523 381986 381264 360828 364768 372938 353982 126258 107966 116098 350.471923828125 0 374692.666666667 363895.96875 116773.807291667 111061.963541667 286554.241071429 303.527087306613 0 12012.9587832417 9507.91209957076 9164.66615624664 11929.5993669447 8829.05172056502 948 8.787 840.63885 w/o MS2:RIKEN N-VS1 ID-6685 from Mouse_Feces_WT_N_Ctr [M-H]- ion correlated with 766 0.542 False 13.28 840.63733 Unknown 530 True True False False False null null 98.8 99.9 null null null 132.86 B. room temp 3 840.63885:8938 841.6422:7457 842.64556:2351 23855 21281 23030 495 0 0 0 51790 61920 67092 57347 61772 46839 47874 0 41786 30467 68296 38320 47863 41214 23658 21292 24061 164.995422363281 0 46849.9986979167 42465.7278645833 23003.728515625 22721.8990885417 56376.3314732143 285.780454549489 0 19416.2521049958 4893.33192948227 1495.6277748283 1314.33708024674 7744.87701320975 949 4.422 841.51337 w/o MS2:SMGDG O-8:0_28:5 [M-H]- 0.25 False 8.09 841.5141 C45H78O12S EtherSMGDG GCMSFBAFQUVHOI-UHFFFAOYSA-N O=C(OC(COCCCCCCCC)COC1OC(CO)C(O)C(OS(=O)(=O)O)C1O)CCCCCCCCCCCC=CCC=CCC=CCC=CCC=CCC 530 True True False False False null null 99.7 99.9 null null null 108.18 B. cold 2 841.51337:6021 842.51672:3359 843.52008:939 28868 27237 29401 0 0 0 0 28428 26487 29182 27297 27956 27677 27898 0 45958 52123 41650 47824 51970 45470 26068 23852 29407 0 0 46576.9947916667 48421.5 26441.9375 28501.6861979167 27846.5415736607 0 0 5263.77724576282 3291.27156715035 2796.49020916845 1127.31088804121 848.220427551596 950 4.709 841.51483 SQDG 36:4 [M-H]- 0.792 True 7.93 841.5141 C45H78O12S SQDG JNWQPHSRAQZUQO-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCCC=CCC=CCCCCC)COC1OC(CS(=O)(=O)O)C(O)C(O)C1O)CCCCCCCC=CCC=CCCCCC 420 True True True False False null null 96.5 99.9 92.9 86.2 100 743.06 P. cold 1 841.51392:21438 842.51727:15922 843.52063:4339 78.98711:11 94.98165:123 94.99512:38 96.96104:180 101.02526:20 164.98235:17 224.96851:17 225.00941:119 411.15384:12 415.96729:46 433.90198:66 585.26569:47 743.49011:29 805.38794:18 807.48859:59 835.95508:26 836.10492:21 840.6272:7 841.34937:46 841.38257:67 841.51331:9501 841.64813:34 841.69324:42 841.74695:55 841.82056:93 841.88043:26 841.99023:24 147822 154187 164722 0 0 0 0 217304 221087 216043 220309 216125 217189 217003 0 417828 435885 377920 393637 441442 373409 158837 143359 167424 0 0 410544.583333333 402829.260416667 156539.588541667 155576.895833333 217865.875 0 0 29660.8189265879 34935.4539659214 12195.8251303646 8535.76234018431 2009.03623610471 951 6.758 842.56342 w/o MS2:CL 18:3_22:6_28:0_22:6 [M-H]- 0.083 False 13.72 842.56488 C99H164O17P2 CL UJQUMFRTNVHPMU-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCCC=CCC=CCC=CCC)COP(=O)(O)OCC(O)COP(=O)(O)OCC(OC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCC)COC(=O)CCC=CCC=CCC=CCC=CCC=CCC=CCC)CCC=CCC=CCC=CCC=CCC=CCC=CCC 530 True True False False False null null 98.9 99.8 null null null 33.17 P. room temp 3 842.56342:3408 843.56677:2508 844.57013:1202 14798 17582 15744 0 0 0 0 8261 9833 9137 8368 10386 10230 9390 0 8695 11946 7711 13148 13647 12804 20434 17482 23348 0 0 9450.55452473958 13199.689453125 20421.1868489583 16041.1490885417 9372.33607700893 0 0 2216.60567188298 424.032151506832 2933.43017660199 1415.56059157698 843.875793758291 952 8.378 842.61963 Unknown [M-H]- adduct linked to 918_[M-H2O-H]-; adduct linked to 865_[M-H]- 0.792 True null null null null null null 999 True False False False True null null null null null null null 505.02 P. room temp 2 842.61951:37602 843.62286:23530 844.62622:6432 59.01269:72 98.93177:42 99.92654:95 100.93364:3174 101.27567:5 101.93422:65 112.98428:23 116.92944:45 156.98326:67 157.98364:92 158.44743:11 158.60406:8 158.86533:25 158.92918:51 158.97539:20032 159.041:99 159.06245:65 159.09828:30 159.16235:22 159.18285:23 159.20515:39 159.21986:47 159.25908:40 159.3232:74 159.33598:24 159.36652:9 159.41014:22 159.45377:24 159.49809:18 159.54088:11 159.55414:14 159.57771:20 159.82361:9 159.9472:30 159.97557:68 159.98654:15 160.01714:15 160.18765:12 160.23576:8 492.24399:10 682.6452:30 684.64191:27 742.97388:26 782.53473:5 782.6059:37 842.55664:21 842.65118:14 441155 401107 401565 12465 2956 2110 1102 318884 321635 335620 299089 305625 276861 282001 4707 155326 149271 146704 123941 173387 155439 379610 392368 422451 6709.38810221354 1606.41253662109 150433.505208333 150922.5390625 398143.03125 414608.791666667 305673.53125 5060.72961456161 712.744732068721 4427.3960010574 25030.4398939249 21996.6454998283 22990.5087320004 21447.416873945 953 4.956 843.53064 SQDG 36:3|SQDG 18:0_18:3 [M-H]- 0.792 True 8.27 843.52979 C45H80O12S SQDG BNQUZMFMILATTF-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCCC=CCC=CCC=CCC)COC1OC(CS(=O)(=O)O)C(O)C(O)C1O)CCCCCCCCCCCCCCCCC 410 True True True False False null null 100 99.9 93.6 85.9 100 255.84 QC-6 843.52954:7294 844.53289:4918 845.53625:1547 125.02629:38 134.97382:32 136.99274:13 159.97525:38 197.81332:23 206.99097:48 225.00539:48 285.27194:22 305.17438:33 507.27612:10 559.26294:16 565.30981:28 663.96948:16 762.99164:15 783.43787:27 838.33081:19 841.43036:15 843.19489:30 843.29529:38 843.40027:87 843.52881:4334 843.6048:61 843.69641:11 843.76318:12 843.79932:20 843.8371:24 843.90735:30 844.00775:18 91638 90412 103646 0 0 0 0 63912 66730 66613 62491 63350 64612 69565 0 161764 168548 126968 194938 145168 117131 107029 93807 112865 0 0 152426.6015625 152412.190104167 104566.911458333 95231.6536458333 65324.6127232143 0 0 22307.3945257351 39406.4196116278 9764.58548472473 7312.38505689883 2451.20650751226 954 7.731 844.59674 w/o MS2:AHexCer (O-15:1)12:1;2O/16:4;O [M-H]- ion correlated with 707 0.208 False 9.18 844.59442 C49H83NO10 AHexCer HKOCZIVTFSPKLD-UHFFFAOYSA-N O=C(OC1C(OCC(NC(=O)C(O)CC=CCC=CCC=CCC=CCC)C(O)C=CCCCCCCC)OC(CO)C(O)C1O)CCCCCCCC=CCCCCC 530 True True False False False null null 97.3 100 null null null 70.14 P. room temp 1 844.59674:4307 845.60009:3694 846.60345:1336 20809 21694 23526 0 0 0 0 14815 13327 14087 12419 12347 12525 12558 0 6981 6088 7394 6104 5403 4869 30426 22540 26728 0 0 6821.12874348958 5458.89729817708 26564.7766927083 22009.8040364583 13153.8120814732 0 0 667.520166830446 619.591844505538 3945.50141883428 1385.23144552466 966.018878600401 955 5.113 845.42676 w/o MS2:PI 18:5_18:5 [M-H]- 0.042 False 7.18 845.42468 C45H67O13P PI AHVNKMVDLSEKOY-UHFFFAOYSA-N O=C(OCC(OC(=O)CC=CCC=CCC=CCC=CCC=CCC)COP(=O)(O)OC1C(O)C(O)C(O)C(O)C1O)CC=CCC=CCC=CCC=CCC=CCC 530 True True False False False null null 97.9 100 null null null 62.23 QC-5 845.42676:3111 846.43011:1790 847.43347:657 22291 21845 20595 0 0 0 0 13978 20628 21493 19687 22461 17136 15339 0 12493 14688 17627 18527 15937 14432 22638 22523 21564 0 0 14935.9456380208 16298.7138671875 22241.7682291667 21576.861328125 18674.4368024554 0 0 2575.87248417165 2071.53742292426 589.40848300142 879.186065327716 3231.9800671068 956 5.639 845.54272 Unknown [M+FA-H]- adduct linked to 971_[M+CH3COO]-; similar chromatogram in higher mz_1099; similar chromatogram in higher mz_1280 0.792 True null null null null null null 999 True False False False True null null null null null null null 260.78 B. cold 3 845.54272:17169 846.54607:10317 847.54943:3163 44.93502:16 44.99807:579 45.25397:6 113.02461:41 159.1898:10 231.35164:20 253.0887:19 277.15747:41 277.21567:704 277.28238:9 277.96918:9 301.21503:44 303.19473:108 303.23315:940 303.72092:10 304.19077:21 304.23895:19 354.97784:93 495.30347:7 513.30957:199 521.30969:40 539.32355:153 660.26099:28 747.51007:44 799.4472:38 799.50037:127 799.53656:627 800.06281:20 800.21918:19 800.53436:13 801.30457:12 802.29248:12 827.96167:40 845.36334:68 845.41241:55 845.54242:4152 845.67407:53 845.77527:35 845.90155:19 143029 138489 148422 0 0 0 0 116905 109958 111416 106871 106474 110196 108163 0 75639 83411 108603 100706 127517 126392 123060 130676 126386 0 0 89217.4322916667 118205.041666667 126707.260416667 143313.208333333 109997.40625 0 0 17232.0005439049 15164.6882924417 3818.10459631404 4972.46546988538 3543.17761486404 957 6.049 847.55914 Unknown [M+FA-H]- ion correlated with 1029; ion correlated with 1104; adduct linked to 973_[M+CH3COO]- 0.792 True null null null null null null 999 True False False False True null null null null null null null 537.8 P. room temp 2 847.55914:46433 848.56249:31902 849.56585:7904 44.98852:50 44.99815:922 45.25248:11 126.23597:7 159.47101:8 161.04576:40 186.11836:50 235.08189:25 253.09831:26 275.19989:39 279.16568:49 279.23209:2280 279.39371:8 279.4342:14 279.4632:95 279.62823:23 285.21692:54 289.13336:11 303.18738:103 303.23276:2560 303.3179:8 303.36542:10 303.79294:10 304.23273:6 468.24457:6 515.19739:27 515.32233:228 521.30157:18 539.3208:456 540.31976:7 801.42139:64 801.48895:147 801.55023:1683 801.66595:29 801.7417:15 801.79944:13 801.93988:13 802.03778:13 802.12585:16 802.16498:13 802.29224:34 802.39008:10 802.4928:20 802.55157:141 802.90021:8 803.15399:6 803.3208:6 803.41833:21 842.30042:8 842.56781:12 842.66693:6 844.89978:15 845.43048:5 845.81403:12 847.29681:32 847.3858:77 847.55719:17528 847.69446:131 847.76044:62 847.78662:56 847.89404:68 847.9751:57 848.00732:46 329678 334258 337555 0 0 0 0 191278 172745 177846 180624 177253 177879 183935 0 63023 68789 73921 79998 94864 83233 309695 336710 324339 0 0 68577.27734375 86031.6119791667 323581.53125 333830.375 180222.837053571 0 0 5452.10567513428 7818.17172501644 13523.376490908 3955.69914571942 5944.63376262707 958 8.884 848.60138 w/o MS2:PC O-17:0_18:2;2O [M-H]- 0.25 False 8.77 848.60217 C43H84NO9P EtherOxPC FOMDQQOHNBAVOT-UHFFFAOYSA-N O=C(OC(COCCCCCCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C)CCCCCC(O)C(O)C=CCC=CCCCCC 530 True True False False False null null 99.7 100 null null null 114.96 B. cold 1 848.60138:7541 849.60473:6017 850.60809:2037 7932 7186 10070 0 0 0 0 17826 16815 16274 17547 16341 17392 15968 0 39210 35097 26842 50369 43264 37556 9931 8535 7561 0 0 33716.3580729167 43729.4908854167 8675.67350260417 8396.1044921875 16880.4549386161 0 0 6298.2935390326 6419.0219218794 1191.11600081546 1497.00779177314 718.448530208637 959 5.847 849.57825 SQDG 36:0|SQDG 16:0_20:0 [M-H]- 0.792 True 10.02 849.57672 C45H86O12S SQDG RKTSBLSFMQTUEN-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCCCCCCCCCCCCCC)COC1OC(CS(=O)(=O)O)C(O)C(O)C1O)CCCCCCCCCCCCCCC 430 True True True False True null null 85.9 99.9 100 81.8 66.7 771.57 P. room temp 3 849.57825:53524 850.5816:41966 851.58496:13382 78.98732:34 85.0317:23 89.02325:26 89.9188:58 211.92653:34 225.01006:38 255.23172:61 266.22107:46 371.57138:22 374.32962:10 492.35675:18 537.24054:40 537.37677:22 661.47833:36 667.43768:38 684.9585:35 725.6532:12 760.66315:23 765.50348:11 767.40717:18 810.55829:49 827.49493:17 829.05627:14 835.53595:8 843.91467:18 844.16864:11 844.41895:36 844.48602:8 844.83063:15 844.91071:18 845.3764:13 845.48322:6 845.96588:12 846.52893:21 846.87567:10 846.94104:7 847.86646:10 848.77728:20 848.82257:10 849.034:11 849.14478:8 849.25555:17 849.28577:23 849.3786:152 849.57709:43887 849.97546:81 850.01758:53 850.06512:94 315184 315427 320605 0 0 0 0 253190 264344 242802 255739 245409 232674 227978 0 335238 363276 256088 315997 329772 263322 366230 326127 376331 0 0 318200.635416667 303030.03125 356229.427083333 317072.020833333 246019.495535714 0 0 55587.799412407 35071.3935951796 26553.8670139743 3062.14539438302 12884.2492284306 960 8.44 850.63556 w/o MS2:Cer 12:1;2O/22:6;O(FA 22:6) [M-H]- 0.542 False 12.18 850.6355 C56H85NO5 Cer_EOS ALVWERSQKGIVRW-UHFFFAOYSA-N O=C(OCCC=CCC=CCC=CCC=CCC=CCC=CCCC(=O)NC(CO)C(O)C=CCCCCCCC)CCC=CCC=CCC=CCC=CCC=CCC=CCC 530 True True False False False null null 100 99.9 null null null 134.68 P. cold 3 850.63556:14034 851.63891:10763 852.64227:2301 57709 68325 112605 0 0 0 0 31598 30081 28919 27811 28364 29709 29366 0 37832 45456 21872 40656 41279 39299 103109 82482 78389 0 0 35053.3411458333 40411.5182291667 87993.3385416667 79546.4973958333 29406.8390066964 0 0 12035.084385776 1012.33532329117 13249.174379646 29117.2870714359 1239.83795327567 961 8.073 850.82281 w/o MS2:Cer 16:0;3O/38:0;(2OH) [M-H]- ion correlated with 784; ion correlated with 530 0.125 False 14.28 850.8233 C54H109NO5 Cer_AP LJQIZMMUVPEKEZ-UHFFFAOYSA-N O=C(NC(CO)C(O)C(O)CCCCCCCCCCCC)C(O)CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC 530 True True False False False null null 99.9 99.8 null null null 66.04 P. room temp 1 850.82281:3540 851.82616:3441 852.82952:852 16377 17869 24172 0 0 0 0 2195 3512 3400 3472 2425 2448 3214 0 0 0 276 266 0 626 24979 21202 20807 0 0 92.0275065104167 297.225443522135 22329.513671875 19472.6442057292 2952.35037667411 0 0 159.396316969917 314.122572424141 2303.24502486008 4137.300063152 571.519165487963 962 8.529 852.63904 w/o MS2:HexCer 16:2;2O/30:6 [M+FA-H]- adduct linked to 877_[M-H]- 0.542 True 11.41 852.63593 C52H87NO8 HexCer_NS PYZRBXCSSGUMBT-UHFFFAOYSA-N O=C(NC(COC1OC(CO)C(O)C(O)C1O)C(O)C=CCCC=CCCCCCCC)CCCCCCCCCCC=CCC=CCC=CCC=CCC=CCC=CCC 530 True True False False False null null 98.3 100 null null null 276.28 B. room temp 1 852.63904:22317 853.64239:15103 854.64575:4413 41.99908:42 83.93143:69 98.93963:24 99.92434:42 100.90424:18 100.93343:1054 101.48822:10 101.93428:25 116.93013:65 140.98112:66 142.97388:40 156.98796:60 157.98297:43 158.97536:15063 159.03464:38 159.077:32 159.11131:16 159.12965:18 159.15752:33 159.17949:25 159.21001:19 159.23624:6 159.27542:18 159.30045:16 159.32339:24 159.33649:25 159.367:30 159.37573:16 159.4325:13 159.45863:23 159.51971:5 159.54309:5 159.5983:18 159.75111:32 159.97762:160 160.1786:17 389.40793:27 753.07056:42 793.28741:16 850.36621:13 852.45337:22 852.57532:109 852.63733:1006 852.73517:21 852.7735:12 852.95117:10 853.00977:9 853.09888:12 8107 1553 18351 373 0 285 0 91030 69889 80421 80776 78067 86171 81385 579 205015 188759 153039 176361 136407 126345 12118 10485 1528 317.500417073568 142.376556396484 182271.177083333 146371.143229167 8043.94445800781 9336.71280924479 81105.546875 293.576449063713 201.350857019886 26588.6601687068 26454.9929264297 5701.43027347075 8466.06669233275 6581.11029534243 963 8.098 854.61353 w/o MS2:PC O-16:0_18:0;3O [M-H]- ion correlated with 728; ion correlated with 916 0.792 False 8.38 854.61279 C42H86NO10P EtherOxPC JVRCDFDTGMDHBM-UHFFFAOYSA-N O=C(OC(COCCCCCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C)CCCC(O)CCC(O)CCCC(O)CCCCCC 530 True True False False False null null 99.7 100 null null null 210.76 B. cold 2 854.61353:14692 855.61688:9376 856.62024:3293 33553 36361 39347 255 0 0 0 118065 139931 136020 132394 132427 135641 127951 314 94681 172034 163849 167097 185325 170933 46592 40124 38168 189.641098022461 0 143521.307291667 174451.697916667 41627.8984375 36420.1822916667 131775.592633929 166.898165679553 0 42494.6792556964 9609.74608146987 4409.21085774385 2897.2598039531 7105.00279316525 964 8.975 854.65503 w/o MS2:RIKEN N-VS1 ID-6925 from Mouse_Feces_WT_N_Ctr [M-H]- 0.542 False 13.39 854.65613 Unknown 530 True True False False False null null 99.4 99.9 null null null 181.7 QC-3 854.65503:13005 855.65838:10074 856.66174:2703 21392 17487 19563 315 264 0 249 79551 85608 91303 78475 84146 65982 71324 251 44877 29727 86671 46442 53269 45346 20159 15886 21581 276.57470703125 124.341743469238 53758.0006510417 48352.49609375 19208.58984375 19480.6204427083 79484.1171875 34.1280326317075 175.845779983313 29492.5874887511 4293.11099571513 2964.34670482549 1953.92218801712 8649.07315034895 965 2.286 855.45453 Unknown [M-H]- 0.042 False null null null null null null 999 False False False False False null null null null null null null 63.92 B. cold 2 855.45453:3196 856.45788:2820 857.46124:1388 8690 9501 1746 0 0 0 0 12313 10704 10744 12914 10732 10834 11919 0 8784 15296 8397 10944 20414 5407 1171 913 5591 0 0 10825.5530598958 12254.8707682292 2558.03165690104 6645.853515625 11451.6584821429 0 0 3876.17145069896 7588.71834403488 2629.81143391668 4262.37176104425 918.05594078242 966 4.427 855.50232 w/o MS2:PG 17:0_22:6;3O [M-H]- 0.083 False 7.7 855.50293 C45H77O13P OxPG QRISZPKAGVJEQI-UHFFFAOYSA-N O=C(OCC(OC(=O)CC(O)C=CCC=CCC=CC=CC(O)CC=CCC=CC(O)C)COP(=O)(O)OCC(O)CO)CCCCCCCCCCCCCCCC 530 True True False False False null null 99.8 99.9 null null null 66.61 B. cold 2 855.50232:3506 856.50567:2337 857.50903:637 17333 18319 19636 0 0 0 0 16027 15033 15772 15676 16263 15640 16211 0 19108 18106 16192 23471 25442 22864 16149 14409 16356 0 0 17801.8479817708 23925.607421875 15637.76953125 18429.4420572917 15803.0574776786 0 0 1481.5914526042 1347.68881850932 1069.39632382784 1155.25239030175 421.129439486489 967 7.496 856.5979 w/o MS2:AHexCer (O-16:2)12:1;2O/16:4;O [M-H]- similar chromatogram in higher mz_1204 0.25 False 9.22 856.59442 C50H83NO10 AHexCer NTPIHWRDOPYLOP-UHFFFAOYSA-N O=C(OC1C(OCC(NC(=O)C(O)CC=CCC=CCC=CCC=CCC)C(O)C=CCCCCCCC)OC(CO)C(O)C1O)CCCCCCCC=CCC=CCCC 530 True True False False False null null 94.1 100 null null null 56.99 B. cold 1 856.5979:7434 857.60125:5502 858.60461:1960 8873 8543 8317 0 0 0 0 19037 18121 18696 17037 16302 16843 16812 0 26997 25316 20988 53738 47508 39642 13403 11096 11937 0 0 24433.5579427083 46962.6536458333 12145.26171875 8577.78287760417 17549.6029575893 0 0 3100.04013935334 7064.22063510853 1167.53868860963 279.897848409411 1057.77911863454 968 8.569 856.63403 w/o MS2:RIKEN N-VS1 ID-6955 from Mouse_Feces_WT_N_Ctr [M+FA-H]- ion correlated with 733; adduct linked to 887_[M-H]- 0.75 False 13.21 856.63623 Unknown 530 True True False False False null null 97.6 99.9 null null null 208.48 P. cold 1 856.63403:20387 857.63738:13802 858.64074:4370 177044 158313 161632 8383 544 960 0 86356 84127 88508 84847 89419 81236 79179 921 40508 34236 35486 39325 52772 41961 156115 136197 156938 3282.87438964844 479.982574462891 36743.5065104167 44686.4583333333 149749.703125 165663.09375 84810.0636160714 4421.20816958007 678.797866508174 3319.58989788709 7125.62730959149 11744.4905539294 9995.33382805339 3702.43570619352 969 4.859 857.52002 PI 36:4|PI 16:0_20:4 [M-H]- 0.792 True 8.13 857.51862 C45H79O13P PI VWRYMIZQLPXULA-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCC=CCC=CCC=CCC=CCC)COP(=O)(O)OC1C(O)C(O)C(O)C(O)C1O)CCCCCCCCCCCCCCC 410 True True True False False null null 100 99.9 100 74.3 100 909 B. room temp 1 857.51978:53058 858.52313:33237 859.52649:8216 78.95924:170 112.92976:33 152.99496:122 222.99973:115 241.0117:313 241.08134:10 255.20496:27 255.23286:320 259.02246:44 297.0387:41 303.23242:346 303.28262:5 315.04794:65 325.18701:22 391.16943:49 391.22403:346 392.20206:34 407.8627:42 409.23538:27 439.22467:99 443.30392:17 553.185:10 553.27679:326 571.29761:34 590.00415:47 601.0976:18 601.22479:15 601.27667:23 642.26587:22 787.40839:19 851.74738:26 851.88904:13 852.05499:15 852.16089:23 852.24158:19 852.29205:25 852.3324:11 852.43323:10 852.8772:7 853.10608:10 853.37177:17 853.40198:5 855.64368:16 855.73547:39 856.25104:24 856.28326:11 856.43878:30 856.6676:11 857.08063:6 857.18152:14 857.22107:24 857.3335:210 857.5191:38768 857.86499:105 857.96967:76 283697 280467 303821 0 0 0 0 303844 304407 299321 281341 281367 292250 295733 0 422192 430107 361041 539609 509026 451423 277216 267131 287043 0 0 404446.541666667 500019.364583333 277129.947916667 289328.395833333 294037.611607143 0 0 37798.4489159992 44778.0315364317 9956.47960316377 12654.542483748 9655.84075561886 970 7.986 858.61346 w/o MS2:RIKEN N-VS1 ID-6986 from Mouse_Feces_WT_N_Ctr [M-H]- ion correlated with 737 0.542 False 12.77 858.61267 Unknown 530 True True False False False null null 99.7 99.9 null null null 122.24 P. room temp 1 858.61346:8576 859.61681:6254 860.62017:1992 49986 50946 50433 266 0 0 0 39336 37834 37188 34361 34782 33008 32962 0 17551 11410 18568 20773 17153 15332 62000 52738 57144 88.5981241861979 0 15842.8352864583 17752.8916015625 57293.8346354167 50455.09375 35638.6322544643 153.456452545792 0 3872.50167529565 2769.75748601925 4633.14147284699 480.094186935718 2494.85649828887 971 5.638 859.5589 MGDG 38:7|MGDG 18:3_20:4 [M+CH3COO]- adduct linked to 956_[M+FA-H]- 0.792 True 9.24 859.55768 C47H76O10 MGDG HMCDAZICTUTGKM-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCC=CCC=CCC=CCC=CCC)COC1OC(CO)C(O)C(O)C1O)CCCCCCCC=CCC=CCC=CCC 410 True True True False False null null 100 99.9 89.3 77.4 100 630.65 P. room temp 2 859.55786:30119 860.56121:19269 861.56457:4683 59.01392:529 59.02995:6 89.02406:20 133.04961:20 133.20909:35 166.0435:25 179.18369:18 229.24333:48 235.08134:105 247.03957:14 253.03893:27 253.09193:430 259.23987:132 277.03629:23 277.16766:102 277.21661:6576 277.32446:37 277.34714:28 277.39264:40 277.41028:30 277.46207:21 277.4743:23 277.50278:11 277.52539:22 277.57718:33 277.62631:7 277.6752:18 277.75568:9 277.80933:6 277.82547:28 277.86035:15 277.96133:9 278.00912:9 278.06116:13 278.21988:128 278.68362:24 279.2326:109 285.22165:56 301.21689:313 301.42441:5 302.21082:35 303.07645:9 303.13062:22 303.23276:11003 303.3006:61 303.39536:45 303.43146:31 303.47214:28 303.49802:34 303.57352:18 303.64819:9 303.70007:16 303.71451:17 303.7626:24 303.82886:27 303.85898:10 303.88306:40 303.93723:27 303.99753:19 304.05176:17 304.12518:12 304.17227:24 304.23749:226 304.29282:15 304.32919:28 304.57617:8 304.62421:6 306.3389:10 309.27985:20 355.71341:11 391.21753:24 411.38449:27 425.37134:14 513.25385:28 513.30646:439 513.85553:34 514.32678:37 515.31616:44 516.33423:16 537.30359:17 539.27466:40 539.32202:795 539.62085:12 540.16681:11 540.23108:21 540.56036:15 540.76929:14 623.45221:21 644.55029:42 799.47577:36 799.53375:265 800.59033:6 800.74603:11 859.54993:91 321069 329186 342192 0 0 0 0 258175 248591 240273 255326 258858 262072 259967 0 208709 242461 271526 279648 344754 321170 290473 301784 296360 0 0 240898.682291667 315190.552083333 296205.666666667 330815.489583333 254751.870535714 0 0 31437.816866384 32962.1404639796 5656.69309783197 10655.2950644953 7716.7477396284 972 5.928 861.53009 Unknown [M-H]- similar chromatogram in higher mz_989 0.5 True null null null null null null 999 True False False False True null null null null null null null 81.6 P. room temp 2 861.53009:5543 862.53344:3462 863.5368:2572 44.99756:62 57.97424:53 59.01425:1724 59.04391:10 59.06249:9 59.42687:22 59.46941:6 59.75496:6 59.90998:8 73.02734:30 86.99714:37 89.01989:5 101.02472:72 113.02428:70 122.06639:32 157.04979:34 161.04607:84 179.05727:122 189.12486:16 205.17995:8 231.14133:35 235.0657:95 235.08199:570 235.51689:30 235.62296:49 253.05003:24 253.09265:1090 253.35245:18 253.38817:9 253.73209:22 254.17261:5 254.41505:21 259.19315:29 259.24347:295 270.53015:41 276.5881:9 277.21423:66 277.33548:6 277.68103:7 277.81927:8 278.07272:34 279.07623:17 279.23312:21801 279.40427:53 279.44186:54 279.52002:48 279.58505:58 279.63666:60 279.73917:17 279.78119:27 279.83072:16 279.85608:12 279.90738:23 279.98904:17 280.04108:24 280.0769:26 280.12686:13 280.15674:20 280.21054:98 280.2348:340 280.3306:20 280.37656:5 280.41705:7 280.45212:7 280.53278:14 284.12088:8 285.18973:36 285.22293:204 293.24884:31 301.56268:26 301.67068:10 302.81207:5 302.95639:21 302.98569:13 303.02908:15 303.10837:59 303.15588:160 303.2334:32416 303.46552:41 303.49142:93 303.52127:80 303.55569:41 303.60028:53 303.6424:40 303.6694:18 303.69424:59 303.72787:31 303.74478:35 303.77884:10 303.79782:14 303.82904:23 303.86624:53 303.90714:30 303.94958:51 303.97369:25 304.00381:14 304.03391:9 304.05756:32 304.07736:14 304.11823:12 304.16589:27 304.21365:92 304.23712:647 304.31717:20 304.37744:21 304.42969:23 304.46185:11 304.52216:21 304.68896:12 304.7272:6 304.85992:8 305.24625:129 305.27701:20 306.18857:5 307.26587:61 316.09225:16 399.2453:20 497.3075:38 513.31158:23 515.15039:36 515.24554:30 515.32153:1229 515.37:12 515.48505:10 516.32074:81 521.31018:83 539.17987:41 539.22803:27 539.32043:2173 539.39655:25 539.47681:20 539.60498:8 539.66345:15 539.74146:7 540.0387:13 540.06281:10 540.11908:11 540.15997:30 540.4071:8 550.26874:23 801.33344:13 801.45374:27 801.5506:865 801.62689:20 801.72473:13 801.79327:7 801.86176:7 801.99872:12 802.34125:12 802.54681:27 844.52832:25 861.52332:72 861.56848:228 27797 26940 27913 0 0 0 0 25175 23444 23480 26919 25873 25477 24632 0 13377 15969 23823 19598 19486 17968 27781 36615 30714 0 0 17723.3697916667 19017.4049479167 31703.5266927083 27549.8177083333 25000.1157924107 0 0 5439.38721321585 910.365232244934 4499.56348527869 531.183126285331 1263.22358601497 973 6.049 861.57556 MGDG 38:6|MGDG 18:2_20:4 [M+CH3COO]- adduct linked to 957_[M+FA-H]- 0.792 True 9.58 861.57343 C47H78O10 MGDG JVWUEAAJPFPUCQ-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCC=CCC=CCC=CCC=CCC)COC1OC(CO)C(O)C(O)C1O)CCCCCCCC=CCC=CCCCCC 410 True True True False False null null 100 99.9 95 78.6 100 1000.31 P. room temp 3 861.57452:76653 862.57787:58403 863.58123:15201 41.03715:24 59.01417:1290 59.0306:18 59.07588:18 59.22737:6 60.46709:6 71.01598:21 76.28773:21 87.01009:21 89.02625:45 107.03397:15 125.01694:17 125.24431:13 131.03291:45 143.03224:25 145.0515:55 145.06764:21 158.97699:28 161.04605:59 179.05478:89 187.05801:44 235.06602:56 235.08241:482 235.34238:7 253.09222:1016 253.44072:23 259.1998:40 259.241:224 260.2457:22 277.12332:45 277.16934:7 277.21558:194 277.6355:11 278.19815:16 278.99017:17 279.233:18395 279.35876:44 279.38513:32 279.41159:28 279.44632:25 279.48682:25 279.57343:33 279.61795:25 279.64651:25 279.6832:19 279.71283:25 279.78146:14 279.8277:16 279.84872:17 279.90955:24 279.96643:11 279.9838:14 280.06186:13 280.11697:12 280.20352:24 280.23236:254 280.26715:11 280.34818:7 280.43048:15 280.81052:13 280.85678:19 281.11237:17 281.17032:11 284.17072:7 285.21667:165 301.22131:34 301.74933:46 302.83105:47 302.87277:19 303.01111:14 303.07129:67 303.23309:29646 303.39993:43 303.45911:45 303.49854:59 303.53482:21 303.59052:40 303.62546:59 303.66663:44 303.68442:25 303.72931:37 303.76343:35 303.78149:24 303.85666:59 303.89404:22 303.92606:62 303.95618:18 304.06372:37 304.08282:36 304.15524:17 304.18912:24 304.23584:597 304.29965:9 304.35391:6 304.38403:7 304.40216:9 304.51669:17 304.56754:25 304.74042:17 304.8605:26 304.9119:9 305.16827:13 305.21051:23 305.24683:115 305.47406:20 305.68762:18 305.87173:6 307.26041:43 345.24789:8 497.29404:10 515.32153:1070 515.39435:8 515.435:5 515.48865:13 515.69263:21 516.297:22 516.32843:51 521.30573:51 536.70679:18 539.19672:37 539.22107:52 539.27765:129 539.3205:1531 539.43768:9 539.51794:7 539.63861:12 539.73529:11 540.01025:11 540.22449:27 540.28473:22 540.32703:58 540.51392:12 541.33441:41 583.28687:23 669.43878:18 801.38049:23 801.45233:30 801.4978:64 801.552:928 801.66754:35 801.73602:13 801.80457:19 801.87366:7 802.11755:8 802.54828:19 804.05652:10 843.49774:17 844.50415:27 861.47406:13 861.52875:42 861.57465:186 861.61615:29 593068 595859 622866 0 0 0 0 355211 340903 328665 328058 335924 343634 343210 0 143169 167328 162963 200636 230657 215258 571695 598625 579091 0 0 157819.890625 215517.119791667 583137.229166667 603931.1875 339372.004464286 0 0 12874.7765157807 15012.0525250131 13913.5095502612 16457.7300268512 9492.6094205343 974 5.64 862.53339 w/o MS2:RIKEN N-VS1 ID-7051 from Mouse_Kidney_WT_N_F1AA [M-H]- 0.208 False 10.35 862.53021 Unknown 530 True True False False False null null 95.1 99.9 null null null 82.33 P. room temp 2 862.53339:4562 863.53674:3848 864.5401:975 55248 55770 62093 0 0 0 0 42915 41779 40306 43622 43646 42811 43698 0 9429 10924 46041 25226 32329 34611 47553 46018 54217 0 0 22131.64453125 30721.900390625 49262.6653645833 57703.8098958333 42682.5223214286 0 0 20720.0018269775 4894.13819311753 4358.88670040035 3810.00597183747 1250.13803530191 975 8.973 862.6189 w/o MS2:SHexCer 40:1;2O [M-H]- 0.792 True 9.65 862.6084 C46H89NO11S SHexCer QOLPJRGLDWCGJQ-UHFFFAOYSA-N O=C(NC(COC1OC(CO)C(O)C(OS(=O)(=O)O)C1O)C(O)C=CCCCCCCC)CCCCCCCCCCCCCCCCCCCCCCCCCCC 530 True True False False False null null 70.7 100 null null null 899.94 B. cold 2 862.6189:86053 863.62225:72740 864.62561:27237 117.13895:8 138.70457:28 224.10362:38 255.23207:57 256.23483:76 283.11426:58 283.25949:39 302.0863:15 325.1507:18 360.49353:23 373.1011:28 391.28592:40 427.19705:50 543.76288:28 604.56482:25 622.96106:31 625.4472:22 683.6377:19 729.15643:31 745.76495:58 754.68988:48 765.62189:13 828.51794:7 832.16223:21 857.09662:11 857.12701:30 857.20911:29 857.26862:10 857.33929:16 857.41974:12 857.51569:22 857.591:14 857.64301:13 857.67987:26 857.72565:5 857.83527:21 858.10291:6 858.28101:23 858.41443:8 858.47278:14 858.77673:12 858.87115:11 859.29346:21 859.48212:5 859.6073:8 859.98242:28 860.45575:23 861.229:12 861.55353:31 861.82025:10 861.93896:15 861.98462:11 862.03027:43 862.11145:13 862.18243:22 862.25494:42 862.36719:126 862.61853:58045 155231 160239 213153 0 0 0 0 244483 221735 223786 216838 214469 213901 214959 0 546405 580418 383380 555402 603326 522193 202137 180520 210324 0 0 503400.96875 560307.322916667 197660.375 176207.765625 221453.098214286 0 0 105323.264861256 40788.5454405594 15398.0703960553 32093.4175465946 10841.0447372818 976 3.883 863.49823 SQDG 38:7|SQDG 18:3_20:4 [M-H]- ion correlated with 419 0.542 True 7.97 863.49847 C47H76O12S SQDG BVKWVWNYDAURNT-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCC=CCC=CCC=CCC=CCC)COC1OC(CS(=O)(=O)O)C(O)C(O)C1O)CCCCCCCC=CCC=CCC=CCC 410 True True True False False null null 100 99.9 96.1 83.8 100 157.38 B. room temp 1 863.49805:11831 864.5014:7321 865.50476:2570 80.96304:63 95.21622:9 164.98621:55 225.00832:124 283.26666:55 303.23267:11 454.96964:38 464.18433:15 515.24689:32 559.18372:32 585.24292:16 629.01355:29 629.04388:7 831.4375:14 858.5448:9 861.37506:20 861.90253:29 863.15076:30 863.37378:114 863.49792:8506 863.70905:31 863.75488:30 863.80035:56 863.91217:30 863.98871:59 9188 9309 10651 0 0 0 0 34856 37292 36974 34486 34494 34317 36210 0 84806 86542 81170 81868 89961 79906 9957 7718 8990 0 0 84172.6927083333 83911.6692708333 8888.298828125 9715.98079427083 35518.3359375 0 0 2741.17015935707 5329.58556377281 1123.17594479397 811.687691830657 1274.1214973329 977 6.52 863.5835 w/o MS2:PG 7:0_36:6 [M-H]- 0.625 False 10.09 863.58081 C49H85O10P PG HUYUISKHWAGUDR-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCCCCCCCCCCCC=CCC=CCC=CCC=CCC=CCC=CCC)COP(=O)(O)OCC(O)CO)CCCCCC 530 True True False False False null null 96.5 99.9 null null null 73.46 P. cold 2 863.5835:4167 864.58685:2756 865.59021:882 28854 30423 28635 0 0 0 0 25052 26302 25380 26856 24949 27053 24958 0 19891 22714 24947 27045 29178 30112 25759 27953 27479 0 0 22517.138671875 28778.6171875 27063.9811197917 29304.0638020833 25792.8484933036 0 0 2533.89770444422 1572.01995780157 1154.40100780546 975.441987046139 922.487935687632 978 6.055 864.5481 Unknown [M-H]- 0.208 True null null null null null null 999 True False False False True null null null null null null null 189.41 P. room temp 1 864.5481:26853 865.55145:15533 866.55481:3930 60.00364:33 61.01698:82 61.94357:15 61.98818:11508 62.03034:31 62.0496:19 62.06601:10 62.08269:15 62.10005:8 62.12575:10 62.14771:26 62.1695:45 62.18592:13 62.2136:15 62.24031:18 62.27035:5 62.31401:13 62.97583:20 111.00618:46 137.9938:19 279.23212:198 280.23743:349 280.45184:11 281.23621:130 282.25989:28 285.20996:19 303.23306:304 304.23615:256 304.55237:6 305.23969:171 306.22729:15 376.25711:18 516.32758:15 517.32532:52 745.44446:63 804.50946:17 804.55487:73 844.50848:18 864.55975:29 864.67041:10 194204 195375 205675 0 0 0 0 108031 112445 106211 109506 110514 102117 99623 0 28194 29747 36676 39337 41144 40668 196414 187958 214975 0 0 31539.0188802083 40383.1901041667 199782.390625 198418.317708333 106921.010044643 0 0 4516.00879841427 936.315548602157 13819.9860933491 6312.06030249145 4622.11844766539 980 1.943 865.45941 Unknown [M-H]- ion correlated with 1038; ion correlated with 771; ion correlated with 798; found in higher mz's MsMs_1038; found in higher mz's MsMs_1023; adduct linked to 1023_[M+FA-H]-; similar chromatogram in higher mz_1013 0.5 True null null null null null null 999 False False False False False null null null null null null null 177.76 P. cold 1 865.45911:13264 866.46246:6560 867.46582:1641 62.99369:21 71.09747:23 89.02442:61 95.04903:18 113.98916:47 116.97098:14 157.13222:17 161.04591:58 163.11349:64 189.05273:30 189.09245:349 207.1039:117 277.21909:117 325.18182:25 361.10449:34 367.03149:8 379.12476:26 397.13379:138 415.1442:63 587.17963:13 587.24017:13 605.25366:54 657.36096:11 675.15417:28 675.35693:138 847.43359:33 865.30841:103 865.45856:5383 865.60596:44 865.64819:53 865.68732:15 865.73529:13 865.80933:48 865.85876:16 865.91095:15 109597 114247 119841 0 0 0 0 20791 31219 33090 32917 33150 32094 32885 0 2140 602 863 8 1772 2022 119060 93520 124479 0 0 1201.74780273438 1267.03879388173 112353.046875 114561.8359375 30877.8284040179 0 0 823.103495285728 1097.54566976143 16533.3469400696 5129.12647264381 4501.42976160287 981 4.293 865.5144 w/o MS2:SMGDG O-10:0_28:7 [M-H]- 0.542 False 8.18 865.5141 C47H78O12S EtherSMGDG RUWDLGUWXSPTKO-UHFFFAOYSA-N O=C(OC(COCCCCCCCCCC)COC1OC(CO)C(O)C(OS(=O)(=O)O)C1O)CCCCCC=CCC=CCC=CCC=CCC=CCC=CCC=CCC 530 True True False False False null null 100 99.9 null null null 112 B. cold 2 865.5144:9194 866.51775:7104 867.52111:2356 17785 19338 19341 0 0 0 0 24897 24195 25844 27377 26452 27285 26845 0 57887 67170 52096 54826 72206 61762 17823 16458 20208 0 0 59051.0416666667 62931.3958333333 18162.8841145833 18821.4720052083 26127.9838169643 0 0 7604.37117063149 8748.89169794684 1898.12770629462 897.355794363589 1214.45656259079 982 6.028 865.5448 w/o MS2:PI 17:0_18:1;1O [M-H]- 0.042 False 8.39 865.5448 C44H83O14P OxPI OFHKMXAYVKHSMT-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCC(O)C=CCCCCCCCC)COP(=O)(O)OC1C(O)C(O)C(O)C(O)C1O)CCCCCCCCCCCCCCCC 530 True True False False False null null 100 100 null null null 272.62 P. cold 3 865.5448:13631 866.54815:4372 867.55151:1024 95307 96395 103718 0 0 0 0 52539 55432 50960 51240 52664 51731 48967 0 12626 14799 18501 20632 20968 19941 95441 93709 103384 0 0 15308.3528645833 20513.6744791667 97511.4427083333 98473.6041666667 51933.3699776786 0 0 2970.70212872411 523.653485057992 5159.20848322892 4574.57169348042 1975.22194340448 983 2.269 867.47479 Unknown [M-H]- ion correlated with 1040; ion correlated with 779; adduct linked to 1040_[M+Hac-H]-; found in higher mz's MsMs_1040; adduct linked to 1026_[M+FA-H]- 0.5 True null null null null null null 999 True False False False True null null null null null null null 157.03 P. room temp 3 867.47479:14291 868.47814:9204 869.4815:2320 45.78445:57 89.02321:17 117.01941:23 119.02397:8 139.00594:57 155.1096:14 163.0303:30 163.11342:16 189.09178:140 207.10114:259 207.29399:21 208.34567:10 221.65495:27 227.05768:33 279.23175:66 279.39514:12 305.04721:40 305.08325:12 379.1301:30 390.15118:14 397.08807:35 397.13522:92 398.11456:22 415.15012:25 416.36917:11 522.50861:34 561.2171:46 587.23737:35 605.23676:68 606.2063:20 677.21021:42 677.37653:276 679.46167:34 736.56549:21 854.78241:46 862.54254:5 864.89441:27 865.42291:8 865.54492:7 866.8468:26 867.22858:43 867.2901:81 867.36646:201 867.47443:5495 867.56989:56 867.62744:75 867.6709:23 867.73248:32 867.80933:19 867.86206:43 867.89484:45 867.9538:26 81121 79492 92316 0 0 0 0 15339 28627 25559 25802 25668 26638 28334 0 0 0 0 0 0 0 104387 92934 108505 0 0 0 0 101942.1953125 84309.8151041667 25138.0251116071 0 0 0 0 8068.4869581 6981.09706035498 4501.07161447204 984 8.302 868.63342 w/o MS2:HexCer 16:2;2O/30:6;O [M-H]- ion correlated with 693; ion correlated with 1048 0.542 False 10.42 868.6308 C52H87NO9 HexCer_HS AXEAWXXPIMOMKA-UHFFFAOYSA-N O=C(NC(COC1OC(CO)C(O)C(O)C1O)C(O)C=CCCC=CCCCCCCC)C(O)CCCCCCCCCC=CCC=CCC=CCC=CCC=CCC=CCC 530 True True False False False null null 96.6 100 null null null 113.05 B. room temp 2 868.63342:7357 869.63677:6166 870.64013:2079 965 1328 1645 0 0 0 0 39564 37964 39734 38803 36962 35959 39372 0 75440 76628 60975 67470 76232 66176 1950 1552 2022 0 0 71014.5026041667 69959.7161458333 1841.00284830729 1312.76936848958 38336.9146205357 0 0 8714.48681551496 5470.73553459213 253.225638750487 340.23202988646 1439.3114681761 985 4.938 869.54504 w/o MS2:SMGDG O-10:0_28:5 [M+Hac-H]- adduct linked to 856_[M-H]- 0.042 False 8.47 869.54541 C47H82O12S EtherSMGDG BLBFQKSGOIRTBB-UHFFFAOYSA-N O=C(OC(COCCCCCCCCCC)COC1OC(CO)C(O)C(OS(=O)(=O)O)C1O)CCCCCCCCCCCC=CCC=CCC=CCC=CCC=CCC 530 True True False False False null null 99.9 99.9 null null null 15.97 B. cold 1 869.54504:3325 870.54839:2217 871.55175:902 2355 2216 2301 0 0 0 0 4812 4158 4278 4584 4266 4593 4686 0 16126 16690 13131 24073 16488 12972 2975 3117 3227 0 0 15315.5338541667 17844.4915364583 3106.26391601563 2290.50056966146 4482.47628348214 0 0 1912.51036975277 5673.5269351757 126.263033090534 70.137959182267 247.189472734423 986 8.378 869.56 Unknown [M-H]- 0.792 True null null null null null null 999 True False False False True null null null null null null null 1174.29 B. room temp 1 869.56036:95760 870.56371:64827 871.56707:19163 53.8786:11 100.93379:192 101.93418:45 127.04134:34 158.94839:53 158.97495:924 159.00935:34 159.37987:5 159.96014:83 159.97519:298 186.15195:20 190.10464:21 384.59506:7 444.19873:34 445.20462:193 446.21957:10 459.21469:56 460.2316:23 461.18839:37 487.21207:24 487.25122:27 504.1221:14 504.21472:1058 504.30444:8 504.56628:14 504.97589:16 505.05365:11 505.19254:8 505.23993:5 513.23242:10 515.23901:44 517.22894:6 518.15265:26 518.23047:531 518.51422:28 519.10455:35 519.23865:3417 519.30139:15 519.41949:9 519.60852:27 519.64789:28 519.69031:17 519.75159:5 519.85223:27 519.9079:14 520.06512:28 520.23969:108 520.37286:18 520.67249:16 532.25952:12 541.22949:17 573.2583:43 573.97839:7 683.59491:32 699.36865:36 709.67059:21 793.54944:7 809.57373:19 809.66217:13 809.70154:6 837.40936:32 837.52802:66 848.46204:13 863.0481:21 863.56592:10 863.7218:13 864.03308:16 864.2052:10 864.39874:27 864.56134:5 864.73651:13 864.80499:15 864.85095:5 865.00842:10 865.79114:9 867.12341:11 867.16681:21 867.33765:17 867.58148:15 868.46722:8 868.58948:19 868.64087:10 868.79156:34 868.84631:26 868.90692:25 869.02313:8 869.0885:29 869.18402:66 869.26733:78 869.30829:232 869.55859:52622 870.04156:28 49298 54071 65965 2417 242 0 0 751125 722906 733996 745753 753022 794721 772845 915 1013875 1041930 1602000 1088983 1179650 1120877 73591 201135 118488 1191.07514444987 0 1219268.4375 1129836.58333333 131071.330729167 56444.8841145833 753481.232142857 1113.55870118497 0 331751.852792779 45992.6134180352 64696.6615388979 8582.97108562188 23998.9981768097 987 7.733 870.61359 w/o MS2:AHexCer (O-20:5)12:1;2O/13:1;O [M-H]- ion correlated with 774 0.292 False 9.51 870.61011 C51H85NO10 AHexCer SYSAUAWIGJXUEL-UHFFFAOYSA-N O=C(OC1C(OCC(NC(=O)C(O)CCCCCCC=CCCC)C(O)C=CCCCCCCC)OC(CO)C(O)C1O)CCCC=CCC=CCC=CCC=CCC=CCC 530 True True False False False null null 94.1 100 null null null 122.7 B. cold 1 870.61359:9485 871.61694:6474 872.6203:2142 5829 6850 7845 0 0 0 0 20048 21194 20905 20098 18267 19148 18099 0 37488 36069 27464 67916 60712 55868 10538 9192 9223 0 0 33673.9733072917 61498.6927083333 9651.18098958333 6841.45540364583 19679.9771205357 0 0 5424.25367902674 6062.27348809479 768.318597079299 1007.94070635432 1216.60542283844 988 8.763 870.64966 w/o MS2:HexCer 16:1;2O/30:6;O [M-H]- 0.792 False 11.02 870.64648 C52H89NO9 HexCer_HS YFLYWUBLXHKYEX-UHFFFAOYSA-N O=C(NC(COC1OC(CO)C(O)C(O)C1O)C(O)C=CCCCCCCCCCCC)C(O)CCCCCCCCCC=CCC=CCC=CCC=CCC=CCC=CCC 530 True True False False False null null 95.1 100 null null null 201.94 P. cold 1 870.64966:15741 871.65301:11160 872.65637:3000 123099 106000 107547 5289 0 0 0 38503 96312 103203 93375 98821 84289 85519 236 53850 43262 52814 44672 54321 43565 102775 78058 99487 1841.49615987142 0 49975.4401041667 47519.2252604167 93440.1640625 112215.213541667 85717.3610491071 2987.53631904908 0 5837.28701565724 5916.17184625305 13422.0749009029 9457.15786473396 21907.4669173504 989 5.929 871.55884 Unknown [M+FA-H]- adduct linked to 1000_[M+CH3COO]- 0.792 True null null null null null null 999 True False False False True null null null null null null null 669.22 P. cold 3 871.55884:47122 872.56219:32809 873.56555:8373 44.99782:896 59.01447:21 101.01552:34 161.0461:23 235.09331:25 253.09343:122 259.24484:27 285.19986:7 285.22287:28 301.40112:16 302.96887:16 303.14365:59 303.23279:5081 303.31781:25 303.35394:41 303.42078:36 303.46555:29 303.50714:22 303.54712:13 303.61276:22 303.81281:46 303.88077:11 303.96207:14 304.02362:19 304.05847:16 304.22778:72 304.41995:6 521.31207:28 539.32172:794 539.91913:24 539.96729:8 540.18011:10 541.08398:9 549.31354:5 825.33966:51 825.42865:33 825.48108:67 825.55048:1633 825.74371:16 825.85468:19 825.92548:27 825.96515:35 826.11621:25 826.31281:40 826.35254:7 826.55743:94 826.64062:17 826.80499:14 826.84924:23 827.60455:10 830.0119:32 830.59937:24 862.04254:80 862.12299:7 866.3183:7 866.63:5 867.01001:21 871.02344:33 871.26758:33 871.30829:62 871.55701:18340 871.70697:101 871.76001:81 871.82538:51 871.8833:38 871.97015:49 872.01294:33 302984 307493 331743 0 0 0 0 243335 215195 215625 210062 219667 219613 224633 0 154818 176204 193888 172276 205643 194465 280987 292770 286512 0 0 174970.036458333 190794.411458333 286756.166666667 314073.552083333 221161.625 0 0 19564.5899815852 16983.7317036086 5895.26808137697 15467.3231539641 10784.107349884 990 5.124 871.56128 w/o MS2:SMGDG O-10:0_28:4 [M-H]- 0.542 False 8.98 871.5611 C47H84O12S EtherSMGDG HRDVKWPCSMPZAH-UHFFFAOYSA-N O=C(OC(COCCCCCCCCCC)COC1OC(CO)C(O)C(OS(=O)(=O)O)C1O)CCCCCCCCCCCCCCC=CCC=CCC=CCC=CCC 530 True True False False False null null 100 99.9 null null null 138.77 B. room temp 2 871.56128:12765 872.56463:9198 873.56799:3086 1714 1472 4523 0 0 0 0 27697 28560 26513 28068 28395 29434 27484 0 76272 89232 70929 73753 74528 66640 1430 1296 2408 0 0 78810.9791666667 71640.1041666667 1711.38395182292 2569.90075683594 28021.60546875 0 0 9411.93565560117 4347.67156719234 607.016866297153 1695.9744213122 921.717898853541 991 6.253 872.60004 w/o MS2:PC O-15:0_22:4;2O [M-H]- 0.125 False 8.64 872.60217 C45H84NO9P EtherOxPC QSLFSVUECPEDGA-UHFFFAOYSA-N O=C(OC(COCCCCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C)CCCCCCC(O)C(O)C=CCC=CCC=CCC=CCC 530 True True False False False null null 97.7 100 null null null 78.78 P. room temp 1 872.60004:4378 873.60339:3301 874.60675:1136 20289 21415 29274 0 0 0 0 6882 6027 6084 5642 6221 7259 6119 0 564 906 0 509 1124 864 33534 22785 27063 0 0 489.813212076823 832.275146484375 27793.98046875 23659.4602864583 6319.00788225446 0 0 457.319772202852 308.991958658854 5411.62897318096 4894.62709994488 554.962940017134 992 6.205 873.57471 w/o MS2:MGDG 17:1_22:6 [M-H]- 0.125 False 9.68 873.57343 C48H78O10 MGDG SUZRDSUPGIIDFE-UHFFFAOYSA-N O=C(OCC(OC(=O)CCC=CCC=CCC=CCC=CCC=CCC=CCC)COC1OC(CO)C(O)C(O)C1O)CCCCCCCC=CCCCCCCC 530 True True False False False null null 99.2 99.9 null null null 57.9 P. cold 2 873.57471:4045 874.57806:2534 875.58142:679 26807 29026 28995 0 0 0 0 19205 20268 19304 17210 16756 18162 17609 0 9920 10763 11663 11653 13320 13322 21425 29745 25480 0 0 10781.9375 12765.13671875 25549.8385416667 28275.884765625 18359.2703683036 0 0 871.486534356589 962.791305347836 4160.50805754252 1272.35651267723 1274.39682519466 993 8.842 873.67511 w/o MS2:SM 24:1;2O(FA 17:0) [M-H]- 0.25 False 11.18 873.67023 C46H91N2O7P ASM CPBJGYRTHYPODU-UHFFFAOYSA-N O=C(OC(C=CCCCCCCC)C(NC(=O)CCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C)CCCCCCCCCCCCCCCC 530 True True False False False null null 88.8 100 null null null 76.5 P. cold 3 873.67511:4889 874.67846:3606 875.68182:1003 24223 28410 31703 0 0 0 0 10518 10519 10813 9595 7703 9829 8441 0 9520 10134 3838 5908 9608 6847 28370 24289 24433 0 0 7830.61385091146 7454.45751953125 25697.5579427083 28111.9654947917 9631.18408203125 0 0 3471.32509933397 1923.46330483704 2315.66181844979 3749.0217596306 1165.20468715083 994 4.918 879.49078 w/o MS2:PI 12:0_22:3;3O [M-H]- ion correlated with 1282 0.042 False 7.34 879.48761 C43H77O16P OxPI TTXUIQLNYADWQM-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCC(O)C(O)C=CCC=CCC=CCCCC(O)C)COP(=O)(O)OC1C(O)C(O)C(O)C(O)C1O)CCCCCCCCCCC 530 True True False False False null null 95.1 100 null null null 170.18 B. cold 1 879.49078:8509 880.49413:9208 881.49749:3916 0 0 0 0 0 0 0 5045 6062 5561 4845 5749 6380 4400 0 10113 7092 13656 56177 9518 6953 0 0 0 0 0 10287.2259114583 24216.1565755208 0 0 5434.46609933036 0 0 3285.3977207301 27708.9977143271 0 0 703.765997965902 995 2.271 881.47217 w/o MS2:PI 15:0_18:3;4O [M-H]- similar chromatogram in higher mz_1007 0.542 True 6.6 881.46692 C42H75O17P OxPI BNMXTDHOYYGDID-UHFFFAOYSA-N O=C(OCC(OC(=O)CCC(O)CCC=CC(O)C=CC(O)C(O)CC=CCC)COP(=O)(O)OC1C(O)C(O)C(O)C(O)C1O)CCCCCCCCCCCCCC 530 True True False False False null null 95.7 99.9 null null null 274.02 B. cold 1 881.47217:35996 882.47552:39311 883.47888:19949 194.21411:65 253.215:119 254.2254:14 400.04099:28 429.55875:56 495.20026:28 541.21179:118 541.79797:15 542.21802:23 595.29004:7 627.20508:32 627.24567:53 628.20813:37 800.98279:8 847.88745:26 875.31207:5 876.11993:10 876.19165:8 876.23242:14 877.95166:29 878.53534:23 879.38562:20 880.44141:11 880.53363:18 880.76953:16 880.8208:47 881.1488:32 881.21997:81 881.4707:25483 881.70697:50 881.75439:36 881.80011:44 881.87238:24 881.9115:104 0 0 0 0 0 0 0 45813 37547 40383 44299 37625 38337 42302 0 116533 123958 70622 230874 178317 123454 0 0 0 0 0 103704.434895833 177548.096354167 0 0 40900.91796875 0 0 28890.0251430851 53714.1546599886 0 0 3328.2811558181 996 6.839 882.59106 w/o MS2:PC O-16:0_22:6;2O [M-H]- adduct linked to 1042_[M+FA-H]- 0.125 False 8.38 882.58661 C46H82NO9P EtherOxPC CEHNBLQUDBLVIT-UHFFFAOYSA-N O=C(OC(COCCCCCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C)CCC=CCC=CCC=CC=CC(O)CC=CCC=CC(O)C 530 True True False False False null null 90.6 100 null null null 65.5 B. cold 1 882.59106:3579 883.59441:2022 884.59777:717 7896 7860 6823 0 0 0 0 22275 23009 20969 19230 18312 17563 18545 0 24031 24633 23433 27395 21900 24396 7234 8149 8569 0 0 24032.515625 24563.3125 7984.00911458333 7526.15608723958 19986.2818080357 0 0 599.921586053031 2751.35736387445 682.291345926243 609.586355027966 2108.03246917749 997 7.498 883.53882 Unknown [M-H]- 0.583 True null null null null null null 999 True False False False True null null null null null null null 171.32 B. room temp 3 883.53882:27413 884.54217:21340 885.54553:6049 44.99772:23 59.01348:70 173.2252:15 249.71985:29 286.44464:41 291.18356:23 380.34106:12 380.37811:6 411.91705:30 415.15015:19 459.17892:45 460.16479:10 518.20105:95 533.21552:210 533.45941:6 533.89337:9 626.56482:6 627.57855:35 823.53473:27 823.6543:13 851.51416:33 877.77881:19 878.28357:11 878.36249:7 878.50586:51 879.28436:47 879.73523:5 880.36829:8 883.19257:9 883.26874:31 883.31525:64 883.43481:433 883.53839:16312 883.66498:214 883.72516:89 883.78046:94 883.8288:78 883.93237:84 884.0293:81 6214 5908 7955 0 0 0 0 57521 57359 54551 51973 52142 52086 52510 0 76166 96037 239189 67964 58126 64444 9276 42604 17868 0 0 137130.622395833 63511.4934895833 23249.1227213542 6692.60807291667 54020.28515625 0 0 88942.0706622531 4984.85143928786 17303.3861513258 1104.24541928444 2497.60550169884 998 5.489 883.55695 w/o MS2:MGDG 18:3_22:6 [M-H]- similar chromatogram in higher mz_1255; similar chromatogram in higher mz_1292; similar chromatogram in higher mz_1251 0.792 False 9.02 883.55768 C49H76O10 MGDG GRMHLJNIZQPGNV-UHFFFAOYSA-N O=C(OCC(OC(=O)CCC=CCC=CCC=CCC=CCC=CCC=CCC)COC1OC(CO)C(O)C(O)C1O)CCCCCCCC=CCC=CCC=CCC 530 True True False False False null null 99.7 99.9 null null null 78.99 P. cold 2 883.55695:5446 884.5603:4883 885.56366:1437 34859 38091 38294 0 0 0 0 27489 27285 27491 25244 24893 27631 26921 0 22083 25002 26386 21845 30764 27632 28098 30297 30702 0 0 24490.3216145833 26747.1764322917 29698.8255208333 37081.6549479167 26707.736328125 0 0 2196.38878482054 4524.92202892309 1401.00646031016 1927.37367684149 1147.0606254402 999 8.04 885.55267 w/o MS2:RIKEN N-VS1 ID-7420 from Mouse_Feces_WT_ABX_Ctr [M-H]- similar chromatogram in higher mz_1214 0.542 False 12.49 885.55182 Unknown 530 True True False False False null null 99.6 99.9 null null null 82.67 B. room temp 3 885.55267:7313 886.55602:7947 887.55938:1987 282 309 252 0 0 0 0 24779 28904 26503 28061 26556 26410 27480 0 30876 36040 56066 43059 28438 25402 537 3192 568 0 0 40993.861328125 32299.4055989583 1432.19911702474 280.927129109701 26956.1085379464 0 0 13305.5225672808 9440.73004694749 1523.94882004444 28.3273767501645 1334.93638191031 1000 5.928 885.57404 MGDG 40:8|MGDG 20:4_20:4 [M+CH3COO]- adduct linked to 989_[M+FA-H]- 0.792 True 9.57 885.57343 C49H78O10 MGDG CMEMDUSPJRFHCX-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCC=CCC=CCC=CCC=CCC)COC1OC(CO)C(O)C(O)C1O)CCCCCCC=CCC=CCC=CCC=CCC 410 True True True False False null null 100 99.9 91.5 62.1 100 1390.81 P. room temp 2 885.57471:84901 886.57806:63871 887.58142:19544 41.99886:71 59.01349:1482 64.84029:21 112.99289:18 129.01881:35 145.0506:25 149.0437:40 152.08371:18 161.0415:20 179.05418:39 205.12335:16 205.19479:87 205.96577:12 235.02411:34 235.05557:14 235.08182:860 235.15092:15 253.05334:33 253.09314:1515 253.14648:5 254.09528:28 259.20462:22 259.24039:241 285.2218:520 301.46039:17 301.5144:19 301.57568:6 301.60446:52 301.64642:10 302.48718:20 302.65549:27 302.73364:28 302.7637:13 302.82382:10 302.931:34 302.99823:56 303.07642:19 303.12659:77 303.23318:69111 303.58295:63 303.63409:84 303.6897:50 303.73227:98 303.77979:54 303.80862:47 303.83771:71 303.88623:27 303.94519:41 304.01108:72 304.05176:22 304.08472:44 304.10965:44 304.13287:28 304.16254:28 304.20108:115 304.23557:848 304.28824:18 304.32294:39 304.34705:22 304.40131:11 304.47363:33 304.50958:22 304.56409:16 304.60028:10 304.6424:10 304.6969:17 304.74503:6 304.7933:14 304.84143:14 304.90189:32 305.01654:7 305.04099:16 305.20322:12 305.21573:30 305.25089:22 305.46326:10 305.54236:8 305.86804:24 305.95868:7 306.04495:14 306.267:9 306.29724:18 306.4426:8 308.22336:10 308.90924:10 309.79047:12 316.14172:5 317.84595:11 345.2341:25 375.25867:9 444.90356:10 521.27753:32 521.30951:110 521.34851:14 539.21466:35 539.32086:3329 539.4129:17 539.46014:24 539.52612:17 539.58362:14 539.677:16 539.7406:34 539.83752:19 539.89368:5 540.01392:9 540.21521:35 540.32367:123 540.39966:13 540.50616:7 541.21936:18 543.73834:8 575.10242:28 788.46344:7 825.54944:674 825.74475:13 825.85394:15 826.56415:16 826.87213:11 885.57159:350 632745 640106 670223 0 0 0 0 445117 433961 427538 432105 443625 436919 447438 0 360544 396657 408413 415125 481955 451006 562059 585657 564718 0 0 388538.083333333 449362.041666667 570811.375 647691.25 438100.232142857 0 0 24946.2744372221 33445.4670447891 12924.9873097435 19856.8907817798 7449.73935979809 1001 6.205 887.58899 w/o MS2:MGDG 18:1_22:6 [M-H]- ion correlated with 893; similar chromatogram in higher mz_1061 0.542 False 10.02 887.58899 C49H80O10 MGDG ARNTZUUEQUBVIV-UHFFFAOYSA-N O=C(OCC(OC(=O)CCC=CCC=CCC=CCC=CCC=CCC=CCC)COC1OC(CO)C(O)C(O)C1O)CCCCCCCC=CCCCCCCCC 530 True True False False False null null 100 99.9 null null null 126.39 P. cold 3 887.58899:8780 888.59234:4587 889.5957:1430 62870 64520 69122 0 0 0 0 39446 41342 39414 34840 36442 38682 38939 0 25279 28951 27297 29520 34239 31068 62778 59549 63741 0 0 27175.646484375 31608.8671875 62022.78515625 65503.8502604167 38443.7053571429 0 0 1838.78863216249 2405.83338386114 2195.46694326828 3239.83027097532 2146.27061571983 1002 4.219 889.51428 SQDG 40:8|SQDG 20:4_20:4 [M-H]- 0.542 True 8.02 889.5141 C49H78O12S SQDG ITNONFGBDHTMHH-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCC=CCC=CCC=CCC=CCC)COC1OC(CS(=O)(=O)O)C(O)C(O)C1O)CCCCCCC=CCC=CCC=CCC=CCC 430 True True True False True null null 97.1 99.9 94.9 87.9 100 168.56 B. room temp 2 889.51428:16851 890.51763:13153 891.52099:4180 44.99779:34 61.98907:16 80.9651:66 94.98224:67 125.01833:29 152.98508:33 164.98306:26 225.0058:82 303.10831:18 303.22742:35 311.15005:5 379.28683:26 404.57452:42 430.10464:38 443.60516:9 585.26184:28 605.33423:27 669.45306:27 751.46985:23 853.59442:13 883.96466:19 886.36005:13 886.62744:7 888.31561:55 888.93372:40 889.13959:31 889.2583:92 889.33978:75 889.41724:316 889.51434:14554 889.62579:98 889.74353:63 889.8194:58 889.86353:53 890.00305:40 4952 5048 5595 0 0 0 0 23651 24488 24646 23742 24097 22575 24358 0 95274 103940 75200 78380 96985 82326 5109 4760 5568 0 0 91471.1927083333 85897.234375 5145.51578776042 5198.12711588542 23936.6847098214 0 0 14742.4248500562 9803.01669684917 404.884359391222 346.712685975723 705.310262104593 1003 6.101 889.54773 w/o MS2:DGGA 22:5_22:6 [M-H]- 0.042 False 8.68 889.54712 C53H78O11 DGGA DFISQHDNJRFLBA-UHFFFAOYSA-N O=C(O)C1OC(OCC(OC(=O)CCCCCC=CCC=CCC=CCC=CCC=CCC)COC(=O)CCC=CCC=CCC=CCC=CCC=CCC=CCC)C(O)C(O)C1O 530 True True False False False null null 99.8 100 null null null 280.95 P. room temp 2 889.54773:14047 890.55108:11343 891.55444:2676 16961 16044 13963 0 0 0 0 22929 21576 22399 22078 23178 24409 25719 0 11750 11954 15487 8751 9828 10662 18769 100678 11422 0 0 13063.6018880208 9746.9775390625 43622.9879557292 15655.8629557292 23184.0465959821 0 0 2101.54307756179 958.165297591089 49547.5693177498 1536.42336412411 1438.80337908099 1004 5.718 890.81842 w/o MS2:Cer 16:0;2O/38:2;(2OH) [M-H]- 0.083 False 13.82 890.81818 C54H105NO4 Cer_ADS OWKIAVZUCAKPPY-UHFFFAOYSA-N O=C(NC(CO)C(O)CCCCCCCCCCCCC)C(O)CCCCCCCCCCCCCCCCCCCCCCCCC=CCC=CCCCCCCC 530 True True False False False null null 100 99.7 null null null 65.31 B. cold 2 890.81842:3474 891.82177:3448 892.82513:970 0 0 0 0 0 0 0 5729 5480 4299 4790 5343 5338 5753 0 14557 19502 18155 17608 21707 17167 0 0 0 0 0 17404.8180338542 18827.2102864583 0 0 5247.41203962054 0 0 2556.18138819204 2503.30832678178 0 0 527.183053407791 1005 1.693 891.41974 Unknown [M-H]- 0.542 True null null null null null null 999 False False False False False null null null null null null null 262.31 QC-1 891.41809:7464 892.42144:8877 893.4248:4269 249.18506:35 340.20206:30 401.12979:13 540.16644:31 555.18542:59 641.11853:28 641.22339:68 823.84277:7 851.00037:42 886.74457:6 891.0246:34 891.17291:58 891.24664:94 891.41888:4910 891.56268:9 891.61731:14 891.66425:15 891.80884:37 891.84729:63 0 626 0 0 0 0 0 47256 33020 41164 50326 38715 30774 40933 0 130153 130727 138862 104352 210295 81006 0 0 1027 0 0 133247.690104167 131884.013020833 342.380045572917 208.655110677083 40312.5532924107 0 0 4870.9117644078 68901.5416697782 593.019634430039 361.401252951616 7027.65869892601 1006 9.961 892.82886 w/o MS2:Cer 16:0;2O/38:1;(2OH) [M-H]- 0.125 False 14.12 892.83392 C54H107NO4 Cer_ADS MHMCEFLTDQJSKR-UHFFFAOYSA-N O=C(NC(CO)C(O)CCCCCCCCCCCCC)C(O)CCCCCCCCCCCCCCCCCCCCCCCCC=CCCCCCCCCCC 530 True True False False False null null 88 99.9 null null null 91.05 P. cold 1 892.82886:5458 893.83221:5299 894.83557:1701 39184 29755 12826 0 0 0 0 16261 16578 16354 13814 14200 12907 14661 0 285 0 0 0 0 0 30251 12876 17304 0 0 95.1260884602865 0 20143.7607421875 27255.0068359375 14967.8200334821 0 0 164.763218338508 0 9028.52012567468 13355.61476368 1440.25553918688 1007 2.231 893.46973 w/o MS2:PI 14:0_20:4;4O [M-H]- ion correlated with 1028 0.042 False 6.71 893.46692 C43H75O17P OxPI LMDPHSYVCBQYCF-UHFFFAOYSA-N O=C(OCC(OC(=O)CCC(O)CC(O)C(O)C=CCC=CCC=CCC=CCCO)COP(=O)(O)OC1C(O)C(O)C(O)C(O)C1O)CCCCCCCCCCCCC 530 True True False False False null null 96.1 99.9 null null null 67.51 B. cold 1 893.46973:3376 894.47308:3292 895.47644:1399 0 979 0 0 0 0 0 4818 4256 4434 5347 4617 4984 4732 0 11411 11843 7437 22707 17891 11882 804 515 642 0 0 10230.4142252604 17493.5862630208 653.560201009115 326.298522949219 4741.13623046875 0 0 2428.34704531115 5423.57295113246 144.731212699643 565.165620182726 360.002281254145 1008 7.595 894.62244 w/o MS2:PC O-18:0_22:6;1O [M-H]- 0.167 False 9.59 894.62299 C48H86NO8P EtherOxPC YNTQGKJRNJIYNE-UHFFFAOYSA-N O=C(OC(COCCCCCCCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C)CCC=CC=CC(O)CC=CCC=CCC=CCC=CCC 530 True True False False False null null 99.8 100 null null null 84.25 P. cold 3 894.62244:5187 895.62579:2613 896.62915:905 62434 73714 109414 0 0 0 0 30236 25062 28656 4880 19789 3636 2617 0 15267 34526 3216 37315 37557 28542 87542 74173 72897 0 0 17669.8133951823 34471.240234375 78204.0390625 81854.2161458333 16410.6731654576 0 0 15792.4425924731 5136.63458333307 8112.44139058482 24525.0960897059 12340.8339889516 1009 2.001 895.44775 Unknown [M-H]- 0.042 False null null null null null null 999 False False False False False null null null null null null null 79.35 B. cold 1 895.44775:3968 896.4511:2192 897.45446:1260 0 0 0 0 0 0 0 2780 4066 3187 3124 3280 3479 4056 0 7266 7565 5968 36916 18356 8057 0 0 0 0 0 6932.8720703125 21109.4903971354 0 0 3424.68638392857 0 0 849.112338318885 14625.204378167 0 0 482.239156667218 1010 7.664 895.52142 w/o MS2:PI 17:0_18:2;3O [M-H]- 0.042 False 7.54 895.51892 C44H81O16P OxPI MGPRFDKZFMIDHV-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCCC(O)C=CC(O)C(O)CC=CCC)COP(=O)(O)OC1C(O)C(O)C(O)C(O)C1O)CCCCCCCCCCCCCCCC 530 True True False False False null null 96.9 100 null null null 100.82 B. cold 1 895.52142:5041 896.52477:3767 897.52813:2624 0 234 0 0 0 0 0 5767 5139 6045 4312 4230 4827 5247 0 18557 14039 13648 35619 11549 10709 0 0 0 0 0 15414.5065104167 19292.1461588542 0 77.8568471272786 5080.87667410714 0 0 2728.16597621358 14145.56803812 0 134.85201494157 684.308966026843 1011 5.432 897.57709 Unknown [M-H]- 0.25 True null null null null null null 999 True False False False True null null null null null null null 103.46 B. room temp 2 897.57709:6544 898.58044:5062 899.5838:1493 80.96607:46 307.18854:26 309.2084:35 323.17984:53 324.16824:5 325.19562:10 418.31186:25 717.45911:7 839.55573:13 865.34027:17 891.60315:9 897.20551:17 897.3158:21 897.35913:49 897.40894:68 897.57587:4520 897.64014:161 897.73181:19 897.90784:32 898.01135:34 898.05206:15 2444 2646 2185 0 0 0 0 11896 10586 9485 11629 11460 10709 10943 0 36911 42812 27993 31294 37618 28159 2405 2607 2820 0 0 35905.2877604167 32357.0032552083 2610.59838867188 2424.88444010417 10958.2340959821 0 0 7460.24025446859 4818.16436943108 207.540863967133 230.816317384991 811.732652944403 1012 6.577 897.89917 Unknown [M-H]- similar chromatogram in higher mz_1257 0.792 True null null null null null null 999 False False False False False null null null null null null null 424.66 B. room temp 1 897.89893:38529 898.90228:30489 899.90564:8195 41.99689:40 123.04642:19 141.01401:32 223.20573:38 240.23454:30 241.21092:43 244.26547:165 245.26958:20 259.05612:44 266.17413:17 266.24759:331 266.867:9 267.2623:5 269.02765:11 270.28134:166 280.22775:36 282.18625:13 282.24429:45 288.23767:40 312.23062:29 365.34378:12 365.44617:28 366.02762:17 366.29434:9 366.81476:22 367.12592:24 367.159:57 367.25912:179 367.35846:33847 367.60037:97 367.66537:32 367.71384:64 367.74194:51 367.77496:28 367.7966:43 367.83536:53 367.86664:25 367.89426:49 367.92239:46 367.96161:36 367.99521:29 368.01364:33 368.06644:19 368.08868:38 368.15286:38 368.1842:16 368.23276:90 368.36053:1094 368.40482:32 368.45789:26 368.48474:10 368.5773:14 368.5975:24 368.63843:8 368.70334:16 368.74551:17 368.78452:14 369.22769:10 369.27521:14 369.36588:92 370.01825:18 370.15042:17 371.00269:17 371.4953:18 377.93661:7 379.20068:11 481.50323:17 482.51981:14 492.88266:6 497.41919:39 497.50815:79 497.53479:44 499.52344:175 528.5257:29 529.30334:35 529.39044:40 529.4162:11 529.53217:2189 529.63733:9 529.70093:24 530.11456:39 530.19427:14 530.37134:16 530.48059:28 530.53534:82 530.64771:23 530.82166:25 530.92639:10 531.0752:9 531.2688:10 531.65863:7 537.63544:11 550.25562:29 897.68866:11 78139 94820 118429 0 0 6379 8593 81936 76313 74216 71699 70267 66776 67274 0 251849 261426 154499 318084 332649 188084 135277 77556 95914 0 7486.0400390625 222591.401041667 279605.854166667 102915.502604167 97129.0755208333 72640.0401785714 0 1565.70014169886 59163.7405834912 79593.9131738201 29490.4356055832 20244.0645580161 5355.7568047749 1013 1.934 901.43536 Unknown [M-H]- 0.083 False null null null null null null 999 False False False False False null null null null null null null 73.81 P. room temp 2 901.43536:3846 902.43871:2149 903.44207:2251 17626 16558 20126 0 0 0 0 9847 10315 11875 10844 10987 9917 9765 0 0 0 0 0 0 0 22311 28620 27580 0 0 0 0 26170.1145833333 18103.19921875 10507.1123046875 0 0 0 0 3382.56251490966 1831.09252723818 773.205119967411 1014 1.4 901.46216 w/o MS2:PI 14:0_22:6;3O [M-H]- ion correlated with 399 0.542 True 7 901.47198 C45H75O16P OxPI VDUTZQABMQOSQO-UHFFFAOYSA-N O=C(OCC(OC(=O)CC(O)C=CCC=CCC=CC=CC(O)CC=CCC=CC(O)C)COP(=O)(O)OC1C(O)C(O)C(O)C(O)C1O)CCCCCCCCCCCCC 530 True True False False False null null 86.2 99.8 null null null 489.97 B. cold 2 901.46216:81400 902.46551:66033 903.46887:33480 47.00122:36 164.49753:13 287.22189:177 287.58426:16 288.22723:27 305.17365:39 389.07913:13 438.12238:28 439.19354:26 469.17587:18 522.19312:31 523.18878:32 526.18616:71 537.08765:25 537.15167:61 537.21429:422 537.7605:11 538.26819:14 540.00989:25 540.19922:78 541.20355:53 569.25098:30 571.23114:18 581.17615:35 581.203:132 585.242:14 606.08655:8 609.33197:31 609.42584:20 609.52094:29 609.57935:9 609.64746:5 609.79181:25 609.85236:18 610.0401:16 610.1308:28 610.47913:16 610.83405:35 612.70496:30 612.89398:17 612.95178:47 613.05841:135 613.2312:56100 613.70715:98 613.74512:115 613.83203:26 613.875:75 613.93634:46 614.00415:48 614.07269:82 614.0993:72 614.23193:2017 614.33374:53 614.43414:64 614.51532:55 614.66681:31 614.71747:21 614.76569:52 614.90594:17 614.94019:49 614.97186:18 615.04651:19 615.0932:14 615.12872:23 615.2276:70 615.33136:20 615.42664:45 615.50586:54 615.55731:11 615.60876:26 615.73737:24 615.77167:11 616.01178:13 616.03748:19 616.39777:12 616.43207:7 616.58649:6 616.84735:14 617.30743:16 617.51349:7 618.49969:8 618.57013:23 618.9397:9 625.50763:6 633.45752:20 657.37793:6 710.64099:8 713.51874:30 895.86554:11 899.88324:11 900.81616:15 901.02344:19 901.05457:20 901.22052:10 901.28528:65 901.3653:128 901.45868:1281 901.58459:8 901.63165:14 901.89417:6 0 0 0 0 0 0 0 72797 46552 57651 67623 48581 48010 56024 0 427696 45206 28479 264074 615687 567694 0 0 0 0 0 167126.793619792 482485.15625 0 0 56748.3247767857 0 0 225814.510014793 190665.401302801 0 0 10199.5580542764 1015 7.516 901.54657 w/o MS2:PI 16:0_22:4;1O [M-H]- 0.125 False 8.16 901.5448 C47H83O14P OxPI HKRZYPRDTODMHX-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCCC(O)C=CCC=CCC=CCC=CCC)COP(=O)(O)OC1C(O)C(O)C(O)C(O)C1O)CCCCCCCCCCCCCCC 530 True True False False False null null 98.4 100 null null null 71.37 B. room temp 1 901.54657:3687 902.54992:3076 903.55328:798 2544 2507 5171 0 0 0 0 21412 19764 19831 19037 20064 18566 21226 0 29295 27645 31176 18001 26974 18978 6417 9293 4583 0 0 29372.1041666667 21317.703125 6764.52734375 3407.54052734375 19985.8169642857 0 0 1766.89370935621 4922.67216799106 2373.83525290881 1527.08308918397 1046.2997221007 1016 6.732 903.61877 Unknown [M-H]- 0.25 True null null null null null null 999 True False False False True null null null null null null null 137.12 B. cold 2 903.61877:9114 904.62212:7789 905.62548:2497 94.97676:66 141.77679:18 143.01379:52 158.97318:18 293.21536:18 295.1041:18 388.75003:26 447.17712:25 872.54773:18 873.98749:40 885.46613:28 902.85559:42 902.91791:32 903.0321:14 903.34363:33 903.41309:52 903.56195:891 903.61688:6453 903.71118:75 903.78809:38 903.83191:48 903.88104:37 903.9212:24 903.97723:37 904.02924:23 904.07147:56 0 0 0 0 0 0 0 4444 5138 4238 4141 4307 5010 4269 0 41164 41803 17689 51762 54076 37900 0 0 0 0 0 33552.0911458333 47912.4765625 0 0 4506.59988839286 0 0 13741.9057993715 8748.31673489163 0 0 399.586702633635 1017 2.227 905.47192 w/o MS2:PI 15:0_20:5;4O [M-H]- similar chromatogram in higher mz_1269; found in higher mz's MsMs_1269; similar chromatogram in higher mz_1028 0.583 True 6.51 905.46692 C44H75O17P OxPI ZSIZEPFHEWUMNB-UHFFFAOYSA-N O=C(OCC(OC(=O)CCC(O)C=CCC=CCC(O)C=CC=CC=CC(O)C(O)C)COP(=O)(O)OC1C(O)C(O)C(O)C(O)C1O)CCCCCCCCCCCCCC 530 True True False False False null null 96.3 99.9 null null null 1169.87 B. cold 2 905.47192:149878 906.47527:152750 907.47863:77977 48.76836:20 132.55431:28 137.22725:23 148.5211:18 199.9426:17 216.01038:14 233.18692:8 259.2106:6 264.71228:35 269.50259:44 271.11035:24 277.04657:26 277.12875:30 277.17682:51 277.21609:1964 277.26587:6 277.37039:9 277.41925:18 277.45966:12 277.51428:30 277.57184:5 277.73776:12 277.81369:12 277.88879:14 278.22278:70 282.09201:23 284.09485:30 343.13837:23 440.35315:49 467.16928:33 468.18381:33 481.19022:15 482.72244:37 509.18408:40 525.33978:12 526.18433:190 537.4967:10 540.20105:107 541.12372:14 541.17474:64 541.20844:374 542.09674:7 542.20129:27 588.70764:26 595.23126:26 613.22882:61 625.70703:8 627.12531:61 627.24744:456 627.64465:10 628.26019:19 630.75629:7 687.24786:9 690.24042:35 782.38312:15 816.521:23 881.43524:25 899.40698:20 899.44843:6 899.55206:48 899.76978:25 899.82153:21 899.91479:27 900.01849:29 900.05127:22 900.18555:15 900.23767:9 900.28802:29 900.50641:25 900.61713:24 901.14612:15 901.29401:7 901.43921:18 901.875:5 901.95563:20 902.15521:10 902.55267:11 902.60126:6 902.70544:21 903.12067:14 903.82373:21 904.09711:33 904.18304:9 904.29449:5 904.34644:18 904.60455:15 904.64783:24 904.74133:28 904.87744:8 904.96741:23 905.00171:56 905.05353:36 905.09576:44 905.19165:238 905.4718:104876 13879 11193 10889 0 0 0 0 209890 224336 213222 210987 225261 214994 219880 0 441224 650624 322865 746313 998164 532470 8972 1545 21443 0 0 471571.072916667 758982.5625 10653.1729329427 11987.2431640625 216938.435267857 0 0 165973.683850661 233105.391553596 10055.1346862385 1645.6971545835 6262.88583746639 1018 7.2 905.63861 w/o MS2:SM 24:1;2O(FA 20:5) [M-H]- 0.125 False 9.67 905.63892 C49H87N2O7P ASM HCYOZZUSZDOBNJ-UHFFFAOYSA-N O=C(OC(C=CCCCCCCC)C(NC(=O)CCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C)CCCC=CCC=CCC=CCC=CCC=CCC 530 True True False False False null null 100 100 null null null 84.29 B. cold 1 905.63861:4318 906.64196:3542 907.64532:1515 7008 8986 11466 0 0 0 0 7058 6928 6490 6922 6088 6449 6741 0 25244 16657 14823 26587 24618 17677 11542 6772 9557 0 0 18908.1442057292 22960.462890625 9290.28938802083 9153.27115885417 6668.02894810268 0 0 5563.37764551368 4680.52714797579 2396.2451649458 2233.78442763247 342.783680843335 1019 4.091 907.54358 w/o MS2:PG 15:3_32:9 [M-H]- ion correlated with 1088; adduct linked to 1123_[M+Hac-H]-; adduct linked to 1088_[M+FA-H]- 0.25 False 8.96 907.5495 C53H81O10P PG IWBBPPDEQJTCKO-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCC=CCC=CCC=CCC=CCC=CCC=CCC=CCC=CCC=CCC)COP(=O)(O)OCC(O)CO)CCCCC=CCC=CCC=CCC 530 True True False False False null null 83.9 99.9 null null null 84.29 P. room temp 1 907.54358:4503 908.54693:3101 909.55029:1108 29629 29716 32059 0 0 0 0 12297 16086 15384 16109 17714 17548 16974 0 9488 9202 9931 7794 11317 9042 32529 30651 33563 0 0 9540.45182291667 9384.16259765625 32247.6673177083 30468.1217447917 16016.2094029018 0 0 367.278573782399 1786.36404186085 1476.53849777213 1378.83534189548 1843.65687050561 1021 4.569 909.55688 Unknown [M-H]- ion correlated with 1094; adduct linked to 1126_[M+Hac-H]-; adduct linked to 1094_[M+FA-H]-; similar chromatogram in higher mz_1129 0.25 False null null null null null null 999 False False False False False null null null null null null null 87.1 P. room temp 3 909.55688:4828 910.56023:3332 911.56359:1307 31068 28125 29892 0 0 0 0 12882 16978 17629 16751 18255 17343 18217 0 8436 9802 10499 6974 9688 9173 33760 32068 34612 0 0 9578.81901041667 8611.6435546875 33479.9212239583 29695.2923177083 16864.8776506696 0 0 1049.74192084634 1441.56256153761 1294.78760018964 1481.28602084415 1846.7795995695 1022 7.888 910.84387 w/o MS2:Cer 16:0;3O/38:0;(2OH) [M-H]- ion correlated with 817 0.042 False 14.28 910.84442 C54H109NO5 Cer_AP LJQIZMMUVPEKEZ-UHFFFAOYSA-N O=C(NC(CO)C(O)C(O)CCCCCCCCCCCC)C(O)CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC 530 True True False False False null null 99.8 99.8 null null null 61.38 P. room temp 3 910.84387:3069 911.84722:2560 912.85058:593 19166 20900 19539 0 0 0 0 7772 6358 6823 6538 7483 6670 6590 0 0 0 0 0 0 0 21867 15857 23611 0 0 0 0 20445.1998697917 19868.3020833333 6890.50502232143 0 0 0 0 4067.80406918611 912.644661719842 528.863524268624 1023 1.931 911.46356 Unknown [M+FA-H]- adduct linked to 1038_[M+Hac-H]-; adduct linked to 980_[M-H]- 0.25 True null null null null null null 999 True False False False True null null null null null null null 120.08 P. room temp 1 911.46356:7138 912.46691:4162 913.47027:1252 59.02541:5 101.02548:20 189.07553:26 189.09125:146 207.10487:51 235.08263:22 253.09441:42 277.22101:14 323.09924:58 397.1322:173 415.14627:31 587.2323:14 657.33484:21 675.35992:41 839.48627:54 865.19995:24 865.27008:38 865.32196:106 865.45844:2628 865.54492:29 865.7359:26 865.84039:32 866.02881:21 866.08447:10 866.12677:16 866.20648:9 866.30853:20 866.43872:39 866.48096:40 866.5116:53 866.77606:12 866.83112:8 867.14233:17 867.43744:28 872.21594:26 911.36078:27 911.46271:748 911.54999:50 911.66705:9 911.82495:9 42302 45222 51079 0 0 0 0 13893 12574 11267 11924 12472 10235 11976 0 0 0 0 0 0 0 56624 37994 55535 0 0 0 0 50051.2174479167 46201.3424479167 12048.82421875 0 0 0 0 10455.710762552 4469.71100601594 1138.45682946926 1024 5.036 911.56744 w/o MS2:PI 6:0_34:5 [M-H]- ion correlated with 1096; adduct linked to 1128_[M+CH3COO]-; found in higher mz's MsMs_1128; adduct linked to 1096_[M+FA-H]- 0.25 False 8.48 911.56549 C49H85O13P PI MSMGYEYRJYPVBO-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCCCCCCCCCCCCC=CCC=CCC=CCC=CCC=CCC)COP(=O)(O)OC1C(O)C(O)C(O)C(O)C1O)CCCCC 530 True True False False False null null 98.1 99.9 null null null 100.56 P. room temp 1 911.56744:5624 912.57079:4620 913.57415:1057 35195 34336 32357 0 0 5481 7880 14646 18453 19097 20677 21449 19430 20922 0 7767 9063 9838 7977 9479 8764 40769 37025 38416 0 6680.36962890625 8889.54833984375 8740.01936848958 38736.61328125 33962.5618489583 19239.0592912946 0 1695.87891443568 1046.14929035106 750.927442197135 1892.70361146726 1455.17100464675 2293.24246426427 1025 1.636 913.46118 Unknown [M-H]- similar chromatogram in higher mz_1043; similar chromatogram in higher mz_1218 0.542 True null null null null null null 999 False False False False False null null null null null null null 217.56 B. room temp 3 913.45972:10633 914.46307:9159 915.46643:4128 225.22287:47 249.11404:15 271.22629:183 313.23767:70 337.20694:24 554.17645:19 555.18555:65 674.4649:9 827.22833:19 829.20752:15 853.35083:23 895.31702:14 911.92981:19 912.19067:18 912.94226:19 912.99445:7 913.02679:6 913.07153:16 913.16174:83 913.22607:82 913.28845:86 913.45892:6090 913.62103:50 913.67328:84 913.72388:37 913.7984:47 913.90802:61 5014 4753 3412 0 0 0 0 51199 55823 54852 50343 50163 51529 51486 0 78975 90659 76377 182116 139043 77486 3842 0 7409 0 0 82003.640625 132881.755208333 3750.51570638021 4392.54117838542 52199.2393973214 0 0 7607.05882628577 52586.3289613511 3705.38007589709 859.560624439528 2225.67023856233 1026 2.255 913.47955 Unknown [M+FA-H]- adduct linked to 983_[M-H]- 0.25 False null null null null null null 999 False False False False False null null null null null null null 96.95 P. room temp 3 913.47955:5800 914.4829:3698 915.48626:916 30873 29974 36121 0 0 0 0 10424 8935 9498 8454 8638 8197 7919 0 0 0 0 0 0 0 42421 36305 43592 0 0 0 0 40772.6015625 32322.6276041667 8866.38274274554 0 0 0 0 3913.25867333252 3319.88635116914 856.279018207601 1027 5.604 913.58942 Unknown [M-H]- ion correlated with 1099; adduct linked to 1099_[M+FA-H]-; similar chromatogram in higher mz_1118 0.792 False null null null null null null 999 False False False False False null null null null null null null 291.84 P. room temp 3 913.58942:20173 914.59277:13079 915.59613:3412 145029 146228 144930 0 0 0 0 80763 101013 100930 104784 109946 115005 111840 0 64112 75953 84601 85143 103590 101139 154934 159615 162948 0 0 74888.4309895833 96624.0755208333 159165.661458333 145395.567708333 103468.816964286 0 0 10285.6064148069 10018.3906292413 4026.17895174785 722.529949492346 11364.393945063 1028 2.193 915.47565 Unknown [M-H]- ion correlated with 1007 0.042 False null null null null null null 999 False False False False False null null null null null null null 60.82 B. cold 1 915.47565:3041 916.479:2630 917.48236:1501 3822 2205 3385 0 0 0 0 4640 5505 5188 4135 4792 5572 5636 0 11223 11015 4521 25642 18368 14655 2162 3257 2154 0 0 8919.51936848958 19554.919921875 2524.18269856771 3137.37027994792 5066.83705357143 0 0 3810.48898327397 5589.31351450796 634.428258525597 836.700995320327 564.497687160733 1029 6.031 915.60651 DGDG 34:2|DGDG 16:0_18:2 [M-H]- ion correlated with 1104; ion correlated with 957; adduct linked to 1131_[M+CH3COO]-; found in higher mz's MsMs_1131; found in higher mz's MsMs_1104; adduct linked to 1104_[M+FA-H]-; similar chromatogram in higher mz_1080 0.792 True null null null null null null 999 True False False False True null null null null null null null 520.7 P. room temp 3 915.60651:51691 916.60986:35391 917.61322:9403 32.64486:20 44.99767:25 51.10983:19 59.0148:70 68.99245:65 71.01312:77 89.02602:35 97.03013:24 112.98542:652 121.15984:16 125.02194:37 131.033:15 135.04637:21 161.04616:70 170.02582:13 179.0549:114 217.07349:70 221.06265:23 233.85077:7 235.08577:70 236.28703:13 255.1879:39 255.23241:450 279.17508:35 279.23294:1065 279.31943:5 283.04221:48 286.84268:12 287.04568:20 287.07642:27 295.11172:7 301.09528:42 305.08813:162 321.077:14 321.2442:27 358.82962:22 379.09076:97 379.12549:601 379.31232:16 379.54941:11 379.94525:6 380.06793:20 397.13388:665 397.58469:9 398.16367:7 415.0806:31 415.14487:191 525.30273:14 543.29956:10 560.32617:35 635.24341:33 635.36292:811 635.52209:21 635.888:13 636.33936:28 636.37555:37 636.53296:7 653.34058:103 653.37183:381 653.64575:9 655.01642:7 659.17059:32 659.36401:1240 659.64954:12 659.9873:20 660.13519:6 660.36884:93 677.32086:27 677.37213:295 678.94055:6 679.27374:19 855.46027:7 890.99323:5 910.27045:11 911.46973:5 912.21057:16 914.90515:16 914.96783:23 915.30957:14 915.38855:171 915.60559:18191 915.82745:43 915.86743:21 915.948:43 916.00806:99 916.0874:32 349284 351519 343333 0 0 0 0 144584 178432 177288 186511 194565 197987 193254 0 29245 33121 34817 38162 46733 41682 370352 390663 395439 0 0 32394.224609375 42192.1171875 385484.770833333 348045.041666667 181802.977678571 0 0 2856.41977094417 4308.15169563562 13320.7659024496 4231.29324021634 18234.8299205335 1030 1.364 917.45642 w/o MS2:DLCL 14:1_22:6 [M-H]- 0.167 False 7.33 917.45868 C45H76O15P2 DLCL WQFVDCLGWPLUTD-UHFFFAOYSA-N O=C(OCC(O)COP(=O)(O)OCC(O)COP(=O)(O)OCC(O)COC(=O)CCCCCCCC=CCCCC)CCC=CCC=CCC=CCC=CCC=CCC=CCC 530 True True False False False null null 97.5 99.8 null null null 197.32 B. room temp 1 917.45642:12986 918.45977:10502 919.46313:4564 0 0 0 0 0 0 0 13628 7397 11954 13745 8236 7188 10824 0 101222 6107 4423 60991 82975 78565 0 0 0 0 0 37250.2815755208 74176.8294270833 0 0 10424.3941127232 0 0 55407.2678089705 11630.4645474378 0 0 2834.89794689128 1031 6.29 917.54187 w/o MS2:RIKEN N-VS1 ID-7800 from Mouse_AdrenalGlands_WT_N_Ctr [M-H]- 0.083 False 7.28 917.54321 Unknown 530 True True False False False null null 99.1 100 null null null 94.06 P. room temp 3 917.54187:4727 918.54522:3508 919.54858:1078 25556 25839 26427 0 0 0 0 21839 19533 20537 22366 21753 22115 20265 0 19811 18918 19680 15713 20039 21804 32609 37306 35410 0 0 19469.8059895833 19185.439453125 35108.439453125 25940.91796875 21201.0982142857 0 0 482.044629422258 3133.94337377166 2362.79202884342 444.460913438259 1080.32149794624 1032 8.141 920.85632 Unknown [M-H]- ion correlated with 657 0.542 False null null null null null null 999 False False False False False null null null null null null null 140.71 B. room temp 3 920.85632:9318 921.85967:6350 922.86303:1520 8412 9644 12852 0 0 0 0 50718 55799 53646 50166 51398 52094 52899 0 92258 91190 92360 85300 75475 74381 11164 10106 8785 0 0 91935.765625 78385.2421875 10018.0498046875 10302.5345052083 52388.6155133929 0 0 648.1212097116 6013.3153253194 1191.80336696881 2291.85630619701 1926.70687623247 1033 2.15 921.4657 w/o MS2:PG 20:5_22:5;4O [M-H]- 0.208 True 6.77 921.47711 C48H75O15P OxPG ZCBMAGDWICRESR-UHFFFAOYSA-N O=C(OCC(OC(=O)CC(O)CC(O)C(O)C=CCC=CCC=CCC=CCC=CC(O)CO)COP(=O)(O)OCC(O)CO)CCCC=CCC=CCC=CCC=CCC=CCC 530 True True False False False null null 82.5 99.9 null null null 137.12 B. cold 2 921.4657:11820 922.46905:13250 923.47241:6026 125.06165:19 178.03854:8 277.21576:313 277.29559:9 289.19351:37 308.06006:39 373.19131:18 401.13324:16 503.32196:8 507.19772:43 555.17578:37 557.16956:12 585.23309:91 595.17987:22 627.20325:48 760.9707:12 903.40173:7 914.98706:5 915.40289:6 918.01385:5 920.40143:8 920.52466:26 920.81006:20 921.20679:87 921.29041:82 921.4646:10172 921.60645:67 921.68445:57 921.7229:59 921.82532:30 921.90985:36 0 0 0 0 0 0 0 9621 8581 9079 10119 7969 7480 8658 0 29351 19745 14282 59453 72771 29282 0 0 0 0 0 21125.9134114583 53835.1360677083 0 0 8786.86070033482 0 0 7628.81834755294 22282.2682344703 0 0 912.03759931351 1034 8.591 922.88055 w/o MS2:Cer 18:0;2O/38:0;(2OH) [M-H]- ion correlated with 663 0.792 False 15.09 922.8808 C56H113NO4 Cer_ADS NCLZNAAWHDPXFB-UHFFFAOYSA-N O=C(NC(CO)C(O)CCCCCCCCCCCCCCC)C(O)CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC 530 True True False False False null null 100 99.8 null null null 162.22 QC-3 922.88055:10837 923.8839:7749 924.88726:2012 58434 50515 53550 0 0 0 0 87916 79017 88443 78404 80821 64678 73580 0 60202 49182 84518 46360 67442 54331 50553 51230 58470 0 0 64634.0260416667 56044.1497395833 53417.6223958333 54166.5299479167 78980.0563616071 0 0 18080.1223357933 10644.7814920315 4388.26984360536 3995.38380287481 8234.4573444303 1035 6.115 923.51801 w/o MS2:PI 14:0_22:3;4O [M-H]- 0.208 False 7.33 923.51392 C45H81O17P OxPI UTDGSXWHJYRHKS-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCC(O)CCC(O)C(O)C=CCC=CCC=CCCCC(O)C)COP(=O)(O)OC1C(O)C(O)C(O)C(O)C1O)CCCCCCCCCCCCC 530 True True False False False null null 92 100 null null null 64.96 P. cold 3 923.51801:3504 924.52136:3087 925.52472:1362 27040 26999 28782 0 0 0 0 21734 21446 21145 21070 20736 21676 21995 0 19169 24286 9553 12120 22515 29159 23708 25569 21860 0 0 17669.3362630208 21264.5875651042 23712.3606770833 27607.3509114583 21400.3295200893 0 0 7480.18088873645 8587.84491499661 1854.8352909043 1017.86216969168 439.565479681903 1036 6.557 923.91339 Unknown [M-H]- 0.083 False null null null null null null 999 False False False False False null null null null null null null 81.76 B. cold 1 923.91339:4104 924.91674:3384 925.9201:993 0 0 0 0 0 0 0 8032 5269 6968 7007 7915 6979 7437 0 16485 18537 13197 26533 26765 14735 0 0 0 0 0 16073.0595703125 22677.4840494792 0 0 7086.70514787946 0 0 2694.15174388466 6879.3800888542 0 0 916.214156929927 1037 8.135 924.85919 w/o MS2:Cer 17:0;3O/38:0;(2OH) [M-H]- ion correlated with 1084; ion correlated with 841; ion correlated with 671 0.25 False 14.45 924.86011 C55H111NO5 Cer_AP ZXQBOGBZPMNGOF-UHFFFAOYSA-N O=C(NC(CO)C(O)C(O)CCCCCCCCCCCCC)C(O)CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC 530 True True False False False null null 99.6 99.8 null null null 115.77 P. cold 1 924.85919:6602 925.86254:4639 926.8659:1314 55771 49266 46147 0 0 0 0 21298 19997 20251 18197 18933 16698 18481 0 3339 3397 4527 3027 3622 2566 45741 45054 52170 0 0 3754.28995768229 3071.77286783854 47654.8541666667 50394.4739583333 19122.1316964286 0 0 669.521857148114 529.705575378041 3925.00157977872 4910.30973811095 1525.08322099247 1038 1.943 925.48102 w/o MS2:PI 16:2_22:6;3O [M+Hac-H]- ion correlated with 980; ion correlated with 771; adduct linked to 1023_[M+FA-H]- 0.542 True 6.8 925.47198 C47H75O16P OxPI ZEZWAOAGSMOITM-UHFFFAOYSA-N O=C(OCC(OC(=O)CC(O)C=CCC=CCC=CC=CC(O)CC=CCC=CC(O)C)COP(=O)(O)OC1C(O)C(O)C(O)C(O)C1O)CCCCCCCC=CCC=CCCC 530 True True False False False null null 88.8 99.9 null null null 201.95 P. room temp 3 925.48102:18210 926.48437:10398 927.48773:2293 59.01267:64 69.03529:38 101.24092:25 108.05872:35 112.98431:58 119.03536:11 125.01233:6 149.02592:47 163.07391:21 163.118:8 174.01778:8 189.09155:280 189.45676:6 207.10098:264 253.07237:26 269.72226:21 277.21548:71 278.21762:16 311.17331:20 361.11108:38 379.12497:71 387.2417:26 397.13589:239 411.16113:22 415.1452:8 431.27191:54 557.49902:52 587.19867:19 587.24829:6 588.69012:14 605.24567:10 645.28003:22 657.34802:20 675.18152:22 675.30719:41 675.35797:250 785.06323:35 826.01501:6 861.32159:19 863.28937:18 863.77747:38 865.23297:70 865.27026:64 865.45978:8523 865.61841:87 865.68781:44 865.77997:26 865.84796:29 865.87714:23 865.95215:18 866.07452:13 866.18384:8 866.35541:26 866.46289:348 866.55463:12 866.61011:29 866.65387:24 866.7251:18 866.84717:32 866.98962:18 867.04053:19 867.10138:11 867.33563:5 867.48315:8 867.57983:21 867.70093:23 868.099:7 868.55682:18 925.18597:39 925.35419:13 925.40942:107 925.47638:478 925.5647:22 925.70209:8 925.82727:34 925.89032:6 115512 126200 133905 0 0 0 0 50962 37858 37311 36439 35934 35764 37900 0 0 0 0 0 280 0 139359 123080 146919 0 0 0 93.3727416992188 136452.9765625 125205.5859375 38881.2198660714 0 0 0 161.726332665052 12182.4575603921 9236.74103481715 5397.11526272815 1039 1.403 927.47375 Unknown [M-H]- ion correlated with 460 0.042 False null null null null null null 999 False False False False False null null null null null null null 70.02 B. cold 2 927.47375:3501 928.4771:2433 929.48046:1176 0 0 0 0 0 0 0 4806 2256 2799 4073 3045 3177 2527 0 18686 2954 572 17165 30695 25983 0 0 0 0 0 7403.79577636719 24614.3483072917 0 0 3240.56399972098 0 0 9842.63118719554 6867.8879070439 0 0 899.964118654826 1040 2.27 927.49615 w/o MS2:PI 16:4_26:7 [M+Hac-H]- ion correlated with 983; adduct linked to 983_[M-H]- 0.542 True 7.83 927.50293 C51H77O13P PI LDDBTUMCFLCSJO-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCC=CCC=CCC=CCC=CCC=CCC=CCC=CCC)COP(=O)(O)OC1C(O)C(O)C(O)C(O)C1O)CCC=CCC=CCC=CCC=CCC 530 True True False False False null null 93.5 99.8 null null null 175.93 P. room temp 3 927.49615:16684 928.4995:9391 929.50286:2743 42.07961:10 69.0238:43 69.03524:67 90.95391:8 145.10085:28 174.31458:35 189.09201:158 207.099:57 212.72957:29 217.07187:12 233.06169:23 258.06601:30 277.21521:72 279.23825:58 323.09827:19 349.11716:18 397.13647:300 398.14246:12 415.14343:24 583.41168:30 605.23706:36 606.23633:9 649.49182:21 677.34705:60 677.37549:145 677.94067:11 704.41138:7 727.23639:16 867.20502:25 867.23901:47 867.32538:157 867.47461:7758 867.59973:60 867.74231:35 867.79395:27 867.86438:31 867.91461:42 867.98657:9 868.02429:20 868.07849:31 868.15631:35 868.29181:50 868.32288:53 868.47772:410 868.58765:48 868.66907:45 868.71582:31 868.82184:7 868.90332:25 868.94409:17 869.02551:15 869.06635:37 869.11139:25 869.46362:25 869.88129:8 870.26874:30 871.16522:12 872.70673:38 873.6734:11 927.02612:7 927.36847:43 927.4931:325 927.65814:7 92046 90529 101675 0 0 0 0 42243 32195 32570 30843 31822 29553 30932 0 0 0 0 0 0 0 120213 111227 127652 0 0 0 0 119697.520833333 94749.8697916667 32879.4955357143 0 0 0 0 8224.56986009392 6044.88443011592 4249.64188333096 1041 7.348 927.50299 w/o MS2:PI 16:4_26:7 [M-H]- similar chromatogram in higher mz_1079 0.083 False 7.83 927.50293 C51H77O13P PI LDDBTUMCFLCSJO-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCC=CCC=CCC=CCC=CCC=CCC=CCC=CCC)COP(=O)(O)OC1C(O)C(O)C(O)C(O)C1O)CCC=CCC=CCC=CCC=CCC 530 True True False False False null null 100 100 null null null 67.74 B. room temp 2 927.50299:3722 928.50634:2835 929.5097:2623 21203 22120 20200 0 0 0 0 21213 21814 22506 24094 23685 23394 24220 0 33963 38087 28065 24820 31675 30420 20813 23027 22905 0 0 33371.7408854167 28971.5930989583 22248.435546875 21174.337890625 22989.4263392857 0 0 5037.51416851818 3649.9650989914 1244.47104823061 959.956442840206 1165.71410058414 1042 6.829 928.58252 w/o MS2:PE 15:4_36:10 [M+FA-H]- adduct linked to 996_[M-H]- 0.792 False 10.4 928.58618 C56H84NO8P PE YMSRFWWTMVSFGH-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCC=CCC=CCC=CCC=CCC=CCC=CCC=CCC=CCC=CCC=CCC)COP(=O)(O)OCCN)CC=CCC=CCC=CCC=CCC 530 True True False False False null null 93.5 99.9 null null null 158.15 B. cold 1 928.58252:11999 929.58587:9024 930.58923:2882 21905 21178 20557 0 0 0 0 61365 66335 65769 64685 65763 61858 57826 0 77419 78909 78153 88703 81123 85540 22318 22523 23697 0 0 78160.5833333333 85121.9244791667 22846.0013020833 21213.478515625 63371.5239955357 0 0 745.205948609577 3807.48922338299 743.861305451354 674.502663074776 3137.00427781135 1043 1.626 929.45654 w/o MS2:DLCL 15:2_22:6 [M-H]- 0.542 True 7.35 929.45868 C46H76O15P2 DLCL WFVAHRFZBJKRDD-UHFFFAOYSA-N O=C(OCC(O)COP(=O)(O)OCC(O)COP(=O)(O)OCC(O)COC(=O)CCCCCCC=CCC=CCCC)CCC=CCC=CCC=CCC=CCC=CCC=CCC 530 True True False False False null null 99.3 99.8 null null null 348.34 B. cold 1 929.45654:39889 930.45989:30031 931.46325:15002 43.02052:33 47.01334:459 56.99808:326 57.03353:13 72.99227:68 73.12517:13 75.00836:900 75.09156:26 183.16452:35 211.20322:35 211.23698:13 223.20912:58 239.20491:29 241.18295:41 241.21587:213 242.68787:16 250.11861:26 271.19699:46 271.23022:72 285.20612:18 286.21106:7 286.97705:45 287.01663:19 287.05298:32 287.11755:39 287.22305:26575 287.38678:69 287.44653:37 287.5141:23 287.53976:42 287.59201:19 287.61633:46 287.67404:35 287.70502:46 287.78961:33 287.82645:30 287.93561:34 288.05835:12 288.10788:14 288.16797:47 288.22522:362 288.33072:15 288.45404:13 288.57523:5 288.77103:18 288.85455:8 289.00287:17 289.60544:7 291.12457:5 311.2226:58 313.23801:98 365.25378:20 481.1459:7 539.1897:40 540.16937:105 554.18427:12 555.18439:128 556.18719:32 559.00598:7 570.20923:76 601.19:22 613.22113:39 641.16217:11 641.22314:140 641.30219:7 642.23615:15 642.61542:13 643.23749:50 643.90375:18 657.22064:19 659.16211:34 659.24255:33 923.92676:6 929.25067:21 929.33881:50 929.45184:597 929.52814:16 929.70197:31 929.78625:9 0 0 0 0 0 0 0 62669 82839 80074 72648 77888 77841 78720 0 180775 128084 155130 351539 293848 170259 0 0 0 0 0 154663.067708333 271882.083333333 0 0 76097.05078125 0 0 26348.6430693365 92614.7749059576 0 0 6666.11358085677 1044 7.002 930.68152 w/o MS2:PE O-24:0_22:3;4O [M-H]- 0.125 False 10.8 930.68048 C51H98NO11P EtherOxPE HOUUTUJGYBKPJU-UHFFFAOYSA-N O=C(OC(COCCCCCCCCCCCCCCCCCCCCCCCC)COP(=O)(O)OCCN)CCCC(O)CCC(O)C(O)C=CCC=CCC=CCCCC(O)C 530 True True False False False null null 99.5 99.9 null null null 62.17 P. room temp 1 930.68152:3274 931.68487:2103 932.68823:790 16216 18474 25743 0 0 0 0 3790 4031 3864 3447 3660 4148 4088 0 2894 3317 402 1955 2746 2983 26523 24853 20268 0 0 2204.45467122396 2561.32983398438 23881.0384114583 20144.1927083333 3861.13441685268 0 0 1575.1541097165 538.123650135946 3238.546735865 4978.67481079535 251.421483104957 1045 2.401 931.487 w/o MS2:RIKEN N-VS1 ID-7920 from Mouse_Brain_WT_N_F1AA [M-H]- ion correlated with 1062 0.125 False 8.39 931.48932 Unknown 530 True True False False False null null 97.3 99.8 null null null 90.35 B. cold 2 931.487:5477 932.49035:4923 933.49371:2645 0 0 0 0 0 0 0 8069 8057 8832 10768 9971 6708 9266 0 23725 30535 15721 38856 51955 26013 0 0 0 0 0 23326.8557942708 38941.3619791667 0 0 8810.15736607143 0 0 7415.17744641665 12970.9990714674 0 0 1349.60716910411 1046 1.63 933.4295 Unknown [M-H]- ion correlated with 1101 0.125 False null null null null null null 999 False False False False False null null null null null null null 75.32 B. room temp 2 933.4295:4146 934.43285:3349 935.43621:1869 0 0 0 0 0 0 0 8740 9380 10104 8808 10771 8933 7933 0 20556 31738 25335 50664 33523 20379 0 0 0 0 0 25876.462890625 34855.2532552083 0 0 9238.38155691964 0 0 5610.76473768271 15185.9669990777 0 0 944.041744063815 1047 1.421 933.46356 w/o MS2:PI 14:1_22:5;4O [M-H]- 0.208 False 6.33 933.46179 C45H75O18P OxPI SRMYXHJJWOVYRS-UHFFFAOYSA-N O=C(OCC(OC(=O)CC(O)CC(O)C(O)C=CCC=CCC=CCC=CCC=CC(O)CO)COP(=O)(O)OC1C(O)C(O)C(O)C(O)C1O)CCCCCCCC=CCCCC 530 True True False False False null null 98.4 99.9 null null null 76.73 B. cold 1 933.46356:5287 934.46691:4382 935.47027:2269 0 0 0 0 0 0 0 14517 13010 13624 12943 12044 13079 12596 0 38515 25740 12717 37508 42832 42395 0 0 0 0 0 25657.0084635417 40911.8098958333 0 0 13116.0339006696 0 0 12899.1825792877 2955.58321402306 0 0 783.402285340708 1048 8.337 934.88074 w/o MS2:Cer 19:0;2O/38:1;(2OH) [M-H]- ion correlated with 984; ion correlated with 693 0.542 False 14.93 934.8808 C57H113NO4 Cer_ADS LTFKUEBJOXJDIB-UHFFFAOYSA-N O=C(NC(CO)C(O)CCCCCCCCCCCCCCCC)C(O)CCCCCCCCCCCCCCCCCCCCCCCCC=CCCCCCCCCCC 530 True True False False False null null 100 99.8 null null null 127.27 B. cold 1 934.88074:9526 935.88409:6717 936.88745:1941 643 1670 1890 0 0 0 0 46809 43603 39244 41826 42642 43114 43459 0 91215 83915 77765 94309 74167 73178 1472 1181 607 0 0 84298.2942708333 80551.4036458333 1086.62052408854 1401.25280761719 42956.66015625 0 0 6732.92430762429 11924.6649762907 440.425740855097 665.65120051872 2261.75871798981 1049 6.155 935.55261 w/o MS2:PI 16:0_22:3;3O [M-H]- 0.167 False 7.79 935.55017 C47H85O16P OxPI WSESEEGYBDGIQG-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCC(O)C(O)C=CCC=CCC=CCCCC(O)C)COP(=O)(O)OC1C(O)C(O)C(O)C(O)C1O)CCCCCCCCCCCCCCC 530 True True False False False null null 97.1 100 null null null 83.01 P. cold 2 935.55261:4263 936.55596:3511 937.55932:1437 38983 39825 30769 0 0 0 0 8793 7719 8572 13744 8765 7772 9016 0 4601 3775 2685 3391 3667 6549 38009 18314 18094 0 0 3686.95288085938 4535.36499023438 24805.4029947917 36525.3815104167 9197.45668247768 0 0 961.08281575732 1749.05735497029 11435.1453340974 5003.1271849839 2068.15081184838 1050 4.702 935.57251 Unknown [M-H]- ion correlated with 1144; adduct linked to 1161_[M+CH3COO]-; found in higher mz's MsMs_1161; adduct linked to 1144_[M+FA-H]- 0.417 False null null null null null null 999 False False False False False null null null null null null null 68.6 B. cold 2 935.57251:5689 936.57586:4159 937.57922:1127 17741 19887 23132 0 0 0 0 18661 25051 24747 23202 26944 25109 27914 0 32241 35415 34312 30422 42259 38842 20990 23135 25241 0 0 33989.1490885417 37174.326171875 23122.4049479167 20253.328125 24518.2661830357 0 0 1611.39904299469 6091.89307669316 2125.53347811929 2714.43803183327 3003.95741358672 1051 7.892 936.86041 w/o MS2:Cer 18:1;3O/38:0;(2OH) [M-H]- ion correlated with 862 0.708 False 14.21 936.86011 C56H111NO5 Cer_AP DMQGXYPLBUDTMO-UHFFFAOYSA-N O=C(NC(CO)C(O)C(O)CCCC=CCCCCCCCCC)C(O)CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC 530 True True False False False null null 100 99.8 null null null 162.53 B. room temp 1 936.86041:11593 937.86376:6806 938.86712:1888 20112 23403 27882 0 0 0 0 72087 64194 65772 66454 67189 64499 65206 0 113753 111828 99995 102084 102161 92055 29747 21908 27204 0 0 108525.041666667 98766.7734375 26286.5162760417 23799.3229166667 66485.8956473214 0 0 7449.95604870968 5812.46441855814 3999.1892910516 3899.86649016583 2683.75338974954 1052 7.64 937.53418 w/o MS2:RIKEN N-VS1 ID-7967 from Mouse_Kidney_WT_N_F1DHA [M+FA-H]- adduct linked to 1078_[M+Hac-H]- 0.25 False 8.69 937.53027 Unknown 530 True True False False False null null 92.7 100 null null null 143.03 B. cold 2 937.53418:9764 938.53753:10385 939.54089:4009 26681 26331 23982 0 0 0 0 39346 40403 39633 36418 36636 36995 34970 0 77009 75860 37108 35330 78563 68667 30336 22312 27479 0 0 63325.6497395833 60853.1953125 26708.9622395833 25664.8463541667 37771.5770089286 0 0 22712.0660858047 22651.0669102537 4066.87989133606 1467.740217613 2018.2610103184 1053 7.375 937.53448 Unknown [M-H]- 0.792 True null null null null null null 999 True False False False True null null null null null null null 1180.13 QC-1 937.53448:67016 938.53783:59512 939.54119:32610 30.26351:12 38.60191:13 44.99782:68 130.68523:24 140.34982:23 183.08612:41 224.02159:23 477.74908:57 486.1004:6 526.10309:20 537.21063:39 540.03241:26 541.16516:43 541.21045:257 595.25708:33 612.22174:16 891.48871:27 891.52441:86 892.9353:16 904.44495:25 931.0509:5 931.73492:25 931.76288:13 931.89832:5 931.98969:16 932.12646:9 932.26392:10 933.67828:22 935.38934:11 935.75946:9 936.15338:12 936.3938:35 936.90466:56 937.14697:16 937.18799:45 937.23535:64 937.31592:206 937.53326:38295 937.90942:72 937.99878:76 718716 716851 715240 3363 0 0 927 786340 762974 720415 728021 732897 692273 697124 1306 586144 712008 677255 677444 687821 713266 738069 733776 722483 1556.23917643229 463.283966064453 658468.916666667 692843.854166667 731442.3125 716935.583333333 731435 1695.44512357354 655.182468038346 65000.5557493169 18431.2568373094 8050.76796341698 1739.89326218653 33802.0104260449 1054 5.175 937.58905 Unknown [M-H]- adduct linked to 1164_[M+CH3COO]-; found in higher mz's MsMs_1164 0.708 False null null null null null null 999 False False False False False null null null null null null null 77.49 P. room temp 2 937.58905:4780 938.5924:3422 939.59576:875 37168 36673 34542 0 0 0 0 22497 28356 28866 30989 31779 31357 32088 0 20344 24866 26995 23291 31914 30747 34067 39775 38030 0 0 24067.9720052083 28650.4856770833 37290.5729166667 36127.9283854167 29418.8962053571 0 0 3396.40771718653 4678.01894320409 2925.08223784646 1395.46887674391 3372.87928262819 1055 7.637 938.53485 w/o MS2:PC 17:2_22:6;4O [M-H]- 0.042 False 6.88 938.53998 C47H78NO12P OxPC QYPQTPHLRLEGNR-UHFFFAOYSA-N O=C(OCC(OC(=O)CCC(O)C=CC(O)C=CC=CC=CC(O)CC=CCC=CC(O)C)COP(=O)([O-])OCC[N+](C)(C)C)CCCCCCCC=CCC=CCCCC 530 True True False False False null null 87.7 100 null null null 145.08 B. cold 2 938.53485:7279 939.5382:4009 940.54156:1549 19082 18449 16861 0 0 0 0 29165 28291 25676 26559 25761 26395 27979 0 56487 56871 26422 24529 58252 46957 19245 15511 23079 0 0 46593.3033854167 43245.9811197917 19278.2373046875 18130.58984375 27117.9559151786 0 0 17469.9055879713 17165.1923049669 3784.13349815246 1144.05224531257 1357.99660474424 1056 8.371 938.87622 w/o MS2:Cer 18:0;3O/38:0;(2OH) [M-H]- 0.792 False 14.69 938.87567 C56H113NO5 Cer_AP KPUVNYPHKLHUQQ-UHFFFAOYSA-N O=C(NC(CO)C(O)C(O)CCCCCCCCCCCCCC)C(O)CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC 530 True True False False False null null 99.8 99.8 null null null 201.51 P. cold 1 938.87622:13542 939.87957:8755 940.88293:2379 135844 117770 115758 1313 0 0 0 113784 108785 104816 92457 102659 81250 88654 0 50055 47469 53293 40378 54417 42883 108086 118792 128662 437.697550455729 0 50272.4036458333 45892.76171875 118513.424479167 123124.1328125 98914.9174107143 758.114395737765 0 2918.00225770988 7487.62892433607 10291.0274708259 11061.9428119109 11735.9539549603 1057 5.635 939.60333 w/o MS2:PI 6:0_36:5 [M-H]- ion correlated with 1154; adduct linked to 1166_[M+Hac-H]-; adduct linked to 1154_[M+FA-H]- 0.292 False 8.87 939.5968 C51H89O13P PI YLGFYSPHKMTZIU-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCCCCCCCCCCCCCCC=CCC=CCC=CCC=CCC=CCC)COP(=O)(O)OC1C(O)C(O)C(O)C(O)C1O)CCCCC 530 True True False False False null null 80.8 99.9 null null null 73.4 P. room temp 3 939.60333:3919 940.60668:3092 941.61004:890 28686 29568 28636 0 0 0 0 17431 23120 22336 24419 23616 23314 24811 0 16472 18376 23583 20262 23276 22763 30007 30249 30420 0 0 19477.0592447917 22100.2291666667 30225.544921875 28963.3736979167 22721.0602678571 0 0 3681.32578096032 1612.2307461968 207.640431794636 524.291555833576 2472.98952484366 1058 7.145 943.50665 w/o MS2:PI 20:5_22:6;1O [M-H]- 0.708 True 7.56 943.4978 C51H77O14P OxPI INYSJEUSCAZHLB-UHFFFAOYSA-N O=C(OCC(OC(=O)CCC=CC=CC(O)CC=CCC=CCC=CCC=CCC)COP(=O)(O)OC1C(O)C(O)C(O)C(O)C1O)CCCC=CCC=CCC=CCC=CCC=CCC 530 True True False False False null null 89.6 100 null null null 101.63 P. cold 1 943.50665:7760 944.51:7247 945.51336:3482 59.01491:42 128.95695:32 457.08121:15 459.16498:35 461.20877:17 490.15057:42 501.13962:44 795.46826:8 883.48865:39 912.55585:20 937.9068:7 941.65137:7 943.24884:79 943.2937:63 943.37958:148 943.50818:5289 943.60876:55 943.73584:25 943.79498:35 943.89148:16 52893 46795 45120 0 0 0 0 29941 30634 31140 29758 30528 32686 32064 0 28271 24962 16214 14452 31598 38198 48107 29774 24864 0 0 23149.0553385417 28083.0143229167 34248.26171875 48269.2955729167 30964.599609375 0 0 6229.82243469663 12257.0249228681 12250.6152896836 4090.79911236251 1080.45956900778 1059 1.472 945.45111 Unknown [M-H]- 0.083 True null null null null null null 999 False False False False False null null null null null null null 78.28 B. cold 2 945.44971:3481 946.45306:2441 947.45642:5611 105.02023:16 301.22174:36 335.22757:26 557.20502:8 886.04736:13 940.29681:11 942.73608:6 944.83765:10 945.1792:46 945.27747:43 945.46307:3974 945.62329:36 945.68756:16 945.79767:25 0 0 0 0 0 0 0 6719 8317 7665 9065 8436 8822 8504 0 16783 6617 13868 40695 33955 14218 0 0 0 0 0 12422.4088541667 29622.6328125 0 0 8218.14097377232 0 0 5234.75724369003 13759.5429718518 0 0 793.057280744967 1060 2.094 945.46515 Unknown [M-H]- 0.042 True null null null null null null 999 False False False False False null null null null null null null 100.03 B. cold 2 945.46515:5001 946.4685:5363 947.47186:2585 105.02023:16 301.22174:36 335.22757:26 557.20502:8 886.04736:13 940.29681:11 942.73608:6 944.83765:10 945.1792:46 945.27747:43 945.46307:3974 945.62329:36 945.68756:16 945.79767:25 945.96332:13 0 0 0 0 0 0 0 2412 3026 3126 2341 2771 2968 3362 0 7006 10740 4776 19209 35786 10403 0 0 0 0 0 7507.48876953125 21799.296875 0 0 2857.96058872768 0 0 3013.22028290455 12888.5804371181 0 0 374.281064365709 1061 6.203 945.5014 w/o MS2:PI 16:0_22:6;4O [M-H]- 0.208 False 7.13 945.49823 C47H79O17P OxPI SVLAMXHMDBLTFM-UHFFFAOYSA-N O=C(OCC(OC(=O)CCC(O)C=CC(O)C=CC=CC=CC(O)CC=CCC=CC(O)C)COP(=O)(O)OC1C(O)C(O)C(O)C(O)C1O)CCCCCCCCCCCCCCC 530 True True False False False null null 95.1 100 null null null 101.42 P. room temp 3 945.5014:7265 946.50475:7476 947.50811:4019 18834 20491 22227 0 0 0 0 14394 13421 14918 13963 13837 14116 12885 0 21196 28002 10239 8691 18007 18878 41570 35071 50231 0 0 19812.2080078125 15191.8876953125 42290.9375 20517.2102864583 13933.4275948661 0 0 8962.0994945901 5646.71481558952 7605.57804967386 1696.20923946192 656.614707019707 1062 2.441 945.50208 w/o MS2:PI 16:0_22:6;4O [M-H]- ion correlated with 1045 0.083 False 7.13 945.49823 C47H79O17P OxPI SVLAMXHMDBLTFM-UHFFFAOYSA-N O=C(OCC(OC(=O)CCC(O)C=CC(O)C=CC=CC=CC(O)CC=CCC=CC(O)C)COP(=O)(O)OC1C(O)C(O)C(O)C(O)C1O)CCCCCCCCCCCCCCC 530 True True False False False null null 92.9 99.9 null null null 98.09 B. cold 2 945.50208:5503 946.50543:6396 947.50879:3213 0 0 0 0 0 0 0 4254 4350 3569 4495 4204 5070 5035 0 12626 11172 10016 27507 35664 14624 0 0 0 0 0 11271.333984375 25932.0608723958 0 0 4425.4922921317 0 0 1308.08593326671 10608.2028164685 0 0 517.921345557448 1063 6.936 946.6759 w/o MS2:PC 24:0_17:2;2O [M-H]- 0.25 False 10.57 946.67542 C49H94NO10P OxPC RVDDOFGDFAUQIL-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCC(O)C=CCC=CCCCCO)COP(=O)([O-])OCC[N+](C)(C)C)CCCCCCCCCCCCCCCCCCCCCCC 530 True True False False False null null 99.9 99.9 null null null 128.43 P. room temp 1 946.6759:7707 947.67925:4966 948.68261:1228 38015 41953 64072 0 0 0 0 16476 17052 15722 14575 16624 15064 14878 0 7240 9176 2280 6599 6730 7507 66588 62890 57739 0 0 6232.13810221354 6945.38899739583 62405.7473958333 48013.5377604167 15770.1481584821 0 0 3556.56897021953 490.897409932057 4444.45367009988 14045.5384203498 965.690296734953 1064 1.484 947.46545 Unknown [M-H]- 0.167 False null null null null null null 999 False False False False False null null null null null null null 86.26 B. room temp 1 947.46545:4967 948.4688:3766 949.47216:2024 0 0 0 0 0 0 0 6728 6395 5382 6263 7172 4147 6930 0 39468 7244 9294 27700 37563 27806 0 0 0 0 0 18668.3806966146 31023.076171875 0 0 6145.13797433036 0 0 18041.9822984411 5664.18750421495 0 0 1053.61089113911 1065 5.413 947.5531 w/o MS2:PI 17:0_22:4;4O [M-H]- 0.125 False 7.74 947.55017 C48H85O16P OxPI XXEQAMBLSKHRQZ-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCC(O)CCC(O)C(O)C=CCC=CCC=CCC=CCC)COP(=O)(O)OC1C(O)C(O)C(O)C(O)C1O)CCCCCCCCCCCCCCCC 530 True True False False False null null 95.8 100 null null null 77.98 P. room temp 2 947.5531:4279 948.55645:3127 949.55981:1650 33665 38738 37424 0 0 0 0 38232 30714 32394 36072 38208 38597 30431 0 40314 45239 33983 25367 35298 39372 45754 47516 40958 0 0 39845.3294270833 33345.8020833333 44742.7786458333 36608.87890625 34949.7234933036 0 0 5642.25239683801 7203.8048868401 3393.76132997723 2632.4020677397 3670.72175199074 1066 8.138 948.88733 Unknown [M-H]- ion correlated with 880; ion correlated with 935; ion correlated with 834 0.542 False null null null null null null 999 False False False False False null null null null null null null 87.67 B. room temp 3 948.88733:5853 949.89068:4679 950.89404:0 5273 6095 7047 0 0 0 0 33780 34434 33714 31228 31081 32287 32714 0 56704 55198 56994 53426 47245 46632 6719 4298 5362 0 0 56298.7786458333 49101.20703125 5459.43538411458 6138.54248046875 32748.5890066964 0 0 963.922839438951 3758.03092599297 1213.57377274941 887.768254716282 1300.35791243817 1067 8.536 948.89691 w/o MS2:Cer 20:0;2O/38:1;(2OH) [M-H]- ion correlated with 639 0.5 False 15.11 948.89648 C58H115NO4 Cer_ADS YVDPGVYEMSUIFK-UHFFFAOYSA-N O=C(NC(CO)C(O)CCCCCCCCCCCCCCCCC)C(O)CCCCCCCCCCCCCCCCCCCCCCCCC=CCCCCCCCCCC 530 True True False False False null null 99.9 99.8 null null null 140.92 B. room temp 1 948.89691:11703 949.90026:8568 950.90362:4389 4129 3675 4079 0 0 0 0 42027 33260 36880 39082 37962 38661 41139 0 98039 90102 76856 78108 60707 52499 3919 3248 3609 0 0 88332.3229166667 63771.3307291667 3592.09033203125 3960.83894856771 38429.9787946429 0 0 10701.4858144266 13076.4867649967 336.302990041037 249.054689715218 2889.67149648171 1068 1.376 949.45935 Unknown [M-H]- 0.083 False null null null null null null 999 False False False False False null null null null null null null 75.45 B. cold 1 949.45935:4418 950.4627:3603 951.46606:2222 0 0 0 0 0 0 0 12831 12313 13711 11685 11276 10872 12761 0 30002 13797 10074 38933 35280 31897 0 0 0 0 0 17957.892578125 35370.1295572917 0 0 12207.0339006696 0 0 10595.4899885007 3519.07465506795 0 0 990.857622558904 1069 6.001 949.49628 w/o MS2:PI 15:0_22:5;4O [M+FA-H]- adduct linked to 1106_[M+Hac-H]- 0.25 False 7.12 949.4931 C46H79O18P OxPI LEPQAYTXHOFAEH-UHFFFAOYSA-N O=C(OCC(OC(=O)CC(O)CC(O)C(O)C=CCC=CCC=CCC=CCC=CC(O)CO)COP(=O)(O)OC1C(O)C(O)C(O)C(O)C1O)CCCCCCCCCCCCCC 530 True True False False False null null 95.1 100 null null null 86.92 B. room temp 2 949.49628:5646 950.49963:5772 951.50299:2762 9404 8320 9621 0 0 0 0 16560 15008 13471 14680 15419 14310 15925 0 34168 38400 27468 21235 30252 29861 11312 11219 12116 0 0 33345.3860677083 27115.955078125 11548.6142578125 9115.21940104167 15053.4748883929 0 0 5512.17937234593 5096.45991458733 493.175086909768 697.009590808344 1029.8431919984 1070 6.902 949.53394 w/o MS2:PI 16:1_22:3;4O [M-H]- 0.792 True 7.27 949.52948 C47H83O17P OxPI OZPPSLPBSXAPFK-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCC(O)CCC(O)C(O)C=CCC=CCC=CCCCC(O)C)COP(=O)(O)OC1C(O)C(O)C(O)C(O)C1O)CCCCCCCC=CCCCCCC 530 True True False False False null null 97.3 100 null null null 159.29 B. room temp 2 949.53394:17347 950.53729:21191 951.54065:11229 59.01446:122 61.14134:20 116.92992:11 141.01369:54 175.26753:7 283.26627:43 284.25638:34 303.22186:7 483.20679:36 526.19:66 541.21313:14 542.15393:14 546.09052:32 581.20276:13 612.22864:9 889.51837:43 889.65326:27 944.09619:22 945.9126:8 946.51843:21 947.54993:23 948.23077:24 948.74359:30 948.97595:14 949.02899:22 949.24835:17 949.29309:47 949.3689:160 949.53296:16166 949.69666:167 949.80579:34 949.89331:37 949.96948:54 950.01813:51 32771 33140 33653 0 0 0 0 39684 40299 40867 39923 40212 41785 42971 0 88917 113006 40041 33939 77741 80010 54935 54206 68793 0 0 80654.5052083333 63896.4453125 59311.55859375 33187.9544270833 40819.9933035714 0 0 37177.7191362051 25968.7888197699 8219.3571809462 443.389270559624 1175.70334915211 1071 8.109 950.87744 w/o MS2:Cer 19:1;3O/38:0;(2OH) [M-H]- ion correlated with 1032 0.417 False 14.44 950.87567 C57H113NO5 Cer_AP GFDRQNIXRZKRBP-UHFFFAOYSA-N O=C(NC(CO)C(O)C(O)CCCC=CCCCCCCCCCC)C(O)CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC 530 True True False False False null null 98.4 99.8 null null null 104.31 B. room temp 1 950.87744:6375 951.88079:4011 952.88415:1439 14149 12425 13857 0 0 0 0 39871 43809 42539 41343 39169 38362 40677 0 65519 64665 56737 57364 62749 55306 17676 13995 14793 0 0 62307.2526041667 58473.0859375 15487.9619140625 13477.0904947917 40824.3666294643 0 0 4842.52565904606 3843.71752201607 1936.87021238308 923.157953243303 1908.34075445841 1072 8.976 950.9054 Unknown [M-H]- 0.333 False null null null null null null 999 False False False False False null null null null null null null 80.83 B. room temp 3 950.9054:4581 951.90875:4589 952.91211:1328 8021 6164 6057 0 0 0 0 29799 29565 30426 26556 26685 19909 21889 0 26549 17712 32591 20007 33809 16865 7205 4736 7787 0 0 25617.1178385417 23560.10546875 6575.90006510417 6747.08837890625 26404.154296875 0 0 7483.31396994257 9013.90913130687 1619.81862049154 1104.50364262568 4089.96099392137 1073 8.59 950.91107 w/o MS2:Cer 20:0;2O/38:0;(2OH) [M-H]- 0.458 False 15.24 950.91211 C58H117NO4 Cer_ADS ZKHLPUZSMOPNMB-UHFFFAOYSA-N O=C(NC(CO)C(O)CCCCCCCCCCCCCCCCC)C(O)CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC 530 True True False False False null null 99.5 99.8 null null null 108.44 QC-3 950.91107:7338 951.91442:5057 952.91778:3855 37110 30950 31301 0 0 0 0 62719 55352 61494 57215 57571 48886 49762 0 55910 45288 62986 44545 50110 44170 33295 31444 35217 0 0 54727.8619791667 46274.76171875 33318.3665364583 33120.3600260417 56142.7555803571 0 0 8908.00136594015 3326.53955414462 1886.51831708674 3459.54425147021 5308.40434082744 1074 6.49 951.50439 Unknown [M-H]- 0.5 True null null null null null null 999 False False False False False null null null null null null null 1079.9 QC-2 951.50439:64112 952.50774:55553 953.5111:28897 36.76521:20 44.99785:117 101.12289:20 165.0219:11 165.03966:67 239.05791:40 313.07928:86 325.15985:32 403.45773:13 419.89194:17 424.34836:21 451.13062:16 482.16339:32 495.11768:16 495.17426:16 497.14935:42 497.18265:8 537.01929:29 540.16882:110 541.16675:31 550.17462:33 551.03412:36 551.18823:29 553.16943:36 554.1922:39 555.12982:32 555.18878:134 577.17145:25 598.12738:18 615.20105:11 626.20734:47 627.19781:21 628.21069:35 650.62482:12 653.37701:12 712.11157:22 891.48083:26 891.52844:44 891.60229:196 891.79865:7 892.03802:12 892.48187:28 893.36121:5 905.46332:23 905.505:66 905.72327:10 906.40973:14 907.12769:11 945.10815:6 945.26971:13 945.66052:12 945.74078:6 946.20264:22 946.57471:5 946.97571:9 947.18604:26 949.03741:6 949.20239:22 949.91357:6 950.43774:8 950.51233:12 950.69342:18 950.77753:13 950.87451:50 950.98114:39 951.10895:46 951.2049:38 951.25653:133 951.51343:36931 951.88037:88 951.95947:60 678849 673616 665435 4522 0 0 0 742806 750221 494452 504085 489332 723712 496676 2137 391089 461039 519276 438396 465367 471476 662674 436431 634350 2219.64892578125 0 457134.739583333 458412.6875 577818.208333333 672633.5 600183.366071429 2262.25535750637 0 64182.3952294779 17602.2431055442 123261.441149213 6760.84271022065 130081.958595005 1075 6.425 951.50543 Unknown [M+FA-H]- adduct linked to 1112_[M+Hac-H]- 0.625 True null null null null null null 999 False False False False False null null null null null null null 1121.64 P. cold 1 951.50903:65930 952.51238:46333 953.51574:23094 53.22318:47 160.76875:27 205.47586:32 216.64442:15 286.55328:19 379.10782:26 381.25201:30 391.56494:57 396.66568:16 500.57251:21 540.15997:75 553.17944:9 554.17511:57 555.18726:207 572.59998:15 589.54993:27 594.52722:32 626.19592:63 627.20117:48 635.35852:77 635.3786:16 674.61133:13 825.185:28 828.11578:15 868.95862:14 891.39856:17 891.46045:49 891.50146:12 891.59198:211 891.82233:9 892.59479:24 892.99811:17 905.34882:8 905.41156:19 905.48431:25 905.50952:24 906.52441:15 908.0752:8 908.52777:12 917.50214:25 919.54425:31 923.50928:24 937.8667:18 940.55652:26 945.21783:11 945.85193:7 945.94751:10 945.99738:6 946.1499:16 946.19592:15 946.29773:10 948.69141:7 948.95752:6 949.22339:9 949.26624:21 949.75604:28 950.20575:14 950.33649:18 950.66998:6 950.73376:44 950.97565:13 951.07947:15 951.16211:24 951.22736:67 951.50751:38086 951.8418:97 951.92065:33 951.99402:60 678849 674468 665435 4522 0 0 0 742806 750221 255194 247450 258219 723712 229912 2137 244859 238191 227170 234511 205567 242817 662674 684327 686911 2219.64892578125 0 236740.078125 227631.953125 677970.833333333 672917.6875 458216.341517857 2262.25535750637 0 8933.51213182819 19554.7721140798 13310.4202677612 6840.23911343063 262839.728039453 1076 1.184 951.51331 Unknown [M-H]- 0.042 False null null null null null null 999 False False False False False null null null null null null null 80.44 B. room temp 1 951.51331:4022 952.51666:2407 953.52002:1715 0 0 0 0 0 0 0 8554 7395 7326 6466 7592 6205 7269 0 26907 22975 20367 19237 20622 21210 0 0 0 0 0 23416.455078125 20356.1809895833 0 0 7258.03648158482 0 0 3292.10360483304 1012.7848711121 0 0 769.235782879938 1077 6.799 951.51349 w/o MS2:PG 22:4_22:5;4O [M-H]- 0.458 True 7.45 951.52399 C50H81O15P OxPG XSHAIKTWHDYQGH-UHFFFAOYSA-N O=C(OCC(OC(=O)CC(O)CC(O)C(O)C=CCC=CCC=CCC=CCC=CC(O)CO)COP(=O)(O)OCC(O)CO)CCCCCCCCC=CCC=CCC=CCC=CCC 530 True True False False False null null 85.9 100 null null null 248.72 B. room temp 1 951.51349:20420 952.51684:21282 953.5202:10376 53.25904:59 61.98221:17 392.31332:25 421.70428:27 481.15457:31 540.16895:80 555.18866:106 595.1795:25 626.09015:8 627.19678:14 632.88708:30 905.44196:20 905.50427:46 944.91663:25 945.6228:9 946.14813:22 948.17468:13 949.73413:8 949.79803:13 951.04431:7 951.17224:9 951.26825:70 951.51196:12059 951.66724:119 951.74603:57 951.82886:49 951.95288:36 21289 17910 15053 0 0 0 0 80919 75046 75044 73235 72675 65926 70156 0 148381 114894 174744 74917 150442 100276 20645 14104 22010 0 0 146006.346354167 108544.778645833 18919.6370442708 18083.9453125 73285.8314732143 0 0 29995.7178160759 38435.432155555 4225.84894614401 3121.77245504564 4633.0611562693 1078 7.642 951.54102 w/o MS2:DLCL 16:0_22:4 [M+Hac-H]- adduct linked to 1052_[M+FA-H]- 0.708 True 7.95 951.53693 C47H86O15P2 DLCL OHKWFKWRQOLOLH-UHFFFAOYSA-N O=C(OCC(O)COP(=O)(O)OCC(O)COP(=O)(O)OCC(O)COC(=O)CCCCCCCCCCCCCCC)CCCCCCCCC=CCC=CCC=CCC=CCC 530 True True False False False null null 97.7 100 null null null 738.61 B. room temp 1 951.54102:82286 952.54437:77688 953.54773:40779 40.73195:43 44.99765:49 59.01411:247 82.64104:25 189.67445:38 303.20734:18 303.23145:27 345.30957:31 367.32712:24 407.27539:10 407.3053:15 422.35999:15 467.17413:22 468.17105:10 481.19485:22 483.19043:40 492.36761:7 494.33078:7 526.17859:68 537.20599:55 540.19739:84 541.15253:47 541.20227:411 543.07941:20 568.23431:15 577.28955:32 612.09589:14 612.21521:54 613.23303:38 640.53046:5 646.54895:23 666.19244:14 666.42297:14 666.51508:42 666.59363:485 667.13831:20 667.30774:18 667.37048:8 667.53094:17 667.60071:293 668.17389:18 668.6026:15 671.56366:15 679.63757:24 726.62592:36 729.57214:8 734.03101:8 740.58948:10 812.32269:21 829.58484:11 840.59009:16 855.64612:23 856.66724:8 873.67804:28 887.2973:11 891.24384:40 891.51855:320 891.61523:26 891.64618:27 892.53357:10 905.6507:16 906.68042:23 933.82867:17 937.51752:35 945.06567:13 945.4162:5 945.68188:8 945.77753:11 945.88031:10 945.92218:17 945.95813:10 946.19196:33 946.36206:12 946.74469:21 946.883:9 947.39343:26 947.87213:49 948.16998:17 948.32928:9 949.36206:8 949.66016:15 949.79852:27 950.35309:25 950.4057:21 950.62445:25 950.86505:77 950.97058:21 951.02332:16 951.05566:20 951.1402:45 951.21545:48 951.27881:123 951.54083:53893 199447 180968 190511 0 0 0 0 280612 268352 270965 259388 254795 268584 261417 0 688699 667918 309973 286066 664324 532604 238979 149479 222716 0 0 555530.270833333 494331.4375 203724.598958333 190308.755208333 266301.727678571 0 0 212912.305189839 192011.794304809 47676.408840227 9241.25535808545 8563.49038580159 1079 7.333 951.54242 w/o MS2:PI 16:0_22:3;4O [M-H]- similar chromatogram in higher mz_1192; found in higher mz's MsMs_1192 0.792 True 7.46 951.54523 C47H85O17P OxPI JFHBVYOQPYKGCC-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCC(O)CCC(O)C(O)C=CCC=CCC=CCCCC(O)C)COP(=O)(O)OC1C(O)C(O)C(O)C(O)C1O)CCCCCCCCCCCCCCC 530 True True False False False null null 98.9 100 null null null 9792.51 B. room temp 1 951.54242:548996 952.54577:483590 953.54913:274209 33.94075:13 35.05493:27 59.01369:1274 75.89022:14 77.7678:23 88.37596:31 92.32531:28 127.43519:23 149.95714:36 151.327:42 151.93962:14 159.00986:7 160.20134:19 160.51164:20 164.5034:28 166.69501:15 168.20181:45 169.37805:17 172.19135:26 175.85611:47 232.03912:54 249.65164:48 249.96059:11 250.78085:9 286.1586:28 316.35245:42 341.11972:20 359.57086:16 382.40997:48 401.06494:34 407.40381:14 411.69513:26 412.39661:17 432.88272:83 437.57516:19 438.45721:12 445.54037:13 467.17374:62 468.18298:55 481.14032:5 481.18063:54 481.28329:18 482.23114:13 483.09381:9 483.12448:42 483.20041:261 484.20056:41 485.28641:34 485.9946:75 495.69397:55 506.32083:30 509.18506:95 514.0025:8 515.53717:31 517.40356:33 521.84863:41 526.07349:29 526.18488:605 526.23877:10 526.41797:18 536.20752:57 537.20593:48 538.15424:50 539.10199:8 539.15436:29 539.19049:42 540.1983:263 541.10779:24 541.1557:47 541.21021:1041 541.39923:11 541.6405:40 541.70483:27 542.05072:9 542.21643:66 542.34033:24 542.56567:7 554.15277:22 555.22412:13 563.198:25 565.17273:26 568.23187:13 571.21753:27 580.19653:13 588.67474:6 595.21448:93 612.22278:275 612.93988:16 613.1593:36 613.23004:181 633.97845:7 675.48907:26 676.52228:48 798.68866:15 823.39783:15 849.51379:12 854.24036:7 885.79395:18 886.60657:14 889.20032:8 891.24774:13 891.40765:32 891.52411:901 891.69659:5 891.74817:13 891.85455:9 891.95599:15 892.16095:18 892.28491:81 892.43524:26 892.53339:88 896.24243:38 918.58679:28 920.52948:12 929.40491:25 937.53839:30 943.13239:7 944.89478:23 944.94989:9 945.07532:30 945.11932:9 945.16052:11 945.22443:35 945.30457:8 945.38733:47 945.4599:41 945.5946:46 945.63922:73 945.74982:45 945.82336:26 945.91504:55 945.99506:32 946.07599:32 946.11603:29 946.14856:21 946.2085:5 946.26544:55 946.32922:34 946.3797:27 946.49933:31 946.69067:33 946.71625:11 946.81848:20 946.95264:5 947.0119:6 947.11597:5 947.20105:28 947.32867:49 947.43506:18 947.51172:12 947.56268:31 947.92438:8 948.02008:29 948.08215:7 948.11584:11 948.24219:10 948.29584:23 948.32159:23 948.39252:27 948.45636:13 948.60547:13 948.73267:32 948.77985:17 948.90076:8 948.98792:10 949.0423:21 949.09497:33 949.18677:27 949.22266:30 949.44434:27 949.53156:28 949.62732:33 949.89355:40 949.94678:7 950.00726:21 950.07434:21 950.17151:8 950.25201:13 950.2876:32 950.39435:27 950.44843:32 950.53259:35 950.63202:33 950.75641:39 950.79871:46 950.84833:51 950.90094:33 950.94128:43 951.02338:92 951.11157:98 951.1651:154 951.55042:308290 5446905 5418878 5518789 8691 0 0 2722 5536036 5439242 5379011 5312682 5345450 5300050 5314790 4425 6413095 6555658 5243200 5358920 6275122 6304171 5690786 5513914 5708971 4371.85514322917 1361.19494628906 6070651 5979404.33333333 5637890.16666667 5461524.16666667 5375322.92857143 4345.75030263655 1925.02035407571 720130.596851884 537551.455243434 107750.849317225 51534.6197044602 85707.2844450948 1080 6.021 951.58032 w/o MS2:HBMP 18:5_13:1_18:5 [M-H]- ion correlated with 937 0.25 False 9.52 951.57568 C55H85O11P HBMP KYSNBRNEXPARFN-UHFFFAOYSA-N O=C(OCC(OC(=O)CC=CCC=CCC=CCC=CCC=CCC)COP(=O)(O)OCC(OC(=O)CCCCCCCC=CCCC)CO)CC=CCC=CCC=CCC=CCC=CCC 530 True True False False False null null 89.8 99.9 null null null 74.53 P. room temp 2 951.58032:4396 952.58367:2223 953.58703:1841 28896 29083 30018 0 0 0 0 18848 18681 20042 18933 19582 18539 19585 0 4625 4618 5222 5437 6352 6521 36811 39990 35924 0 0 4821.83072916667 6103.16227213542 37574.9700520833 29332.302734375 19172.6877790179 0 0 346.684307497115 583.198220971235 2138.42966665123 600.714321780378 562.708076155277 1081 6.43 951.62079 w/o MS2:SM 28:6;2O(FA 20:5) [M-H]- 0.042 False 9.09 951.62329 C53H85N2O7P ASM WOGXGNQNNDLSJL-UHFFFAOYSA-N O=C(OC(C=CCCC=CCCC)C(NC(=O)CCC=CCC=CCC=CCC=CCC)COP(=O)([O-])OCC[N+](C)(C)C)CCCC=CCC=CCC=CCC=CCC=CCC 530 True True False False False null null 96.9 100 null null null 91.04 P. cold 2 951.62079:4552 952.62414:2130 953.6275:779 24494 30608 38971 0 0 0 0 9317 7045 9543 10496 9561 8385 9618 0 5631 5716 876 14684 11982 7824 44522 31688 37987 0 0 4074.30165608724 11496.7306315104 38065.603515625 31357.7760416667 9137.79164341518 0 0 2770.17413092617 3455.67213836688 6417.60278881009 7267.60356856477 1110.30182520366 1082 7.62 952.55243 w/o MS2:PC 18:2_22:6;4O [M-H]- 0.042 False 7.16 952.55573 C48H80NO12P OxPC MNGDFAXOUVZQBI-UHFFFAOYSA-N O=C(OCC(OC(=O)CCC(O)C=CC(O)C=CC=CC=CC(O)CC=CCC=CC(O)C)COP(=O)([O-])OCC[N+](C)(C)C)CCCCCCCC=CCC=CCCCCC 530 True True False False False null null 94.7 100 null null null 352.01 P. room temp 3 952.55243:18592 953.55578:11785 954.55914:3837 150344 138626 141327 0 0 0 0 205489 194395 199671 191901 188370 196942 188678 247 517753 497242 228505 211292 498890 405427 176484 112442 160419 82.4816131591797 0 414499.848958333 371869.901041667 149781.666666667 143432.375 195063.669642857 142.862344681941 0 161402.182056935 146706.458764994 33319.938869917 6136.4940218042 6184.1500699252 1083 6.419 952.62305 w/o MS2:RIKEN N-VS1 ID-8101 from Mouse_AdrenalGlands_fads2KO_N_Ctr [M-H]- 0.042 False 10.34 952.62122 Unknown 530 True True False False False null null 98.3 99.9 null null null 67.37 P. room temp 1 952.62305:3368 953.6264:1064 954.62976:321 14425 16461 19470 0 0 0 0 6921 4830 8011 3965 5733 5030 6404 0 2510 3023 2482 6797 4826 4893 26686 21834 19758 0 0 2671.5029296875 5505.53531901042 22759.3274739583 16785.4947916667 5842.03902762277 0 0 304.370316456082 1118.8829838346 3555.37095079497 2537.77628168978 1378.68605977293 1084 8.138 952.88947 w/o MS2:Cer 19:0;3O/38:0;(2OH) [M-H]- ion correlated with 1037; ion correlated with 885; ion correlated with 841 0.25 False 14.86 952.89142 C57H115NO5 Cer_AP HTOWHNCYANBSOM-UHFFFAOYSA-N O=C(NC(CO)C(O)C(O)CCCCCCCCCCCCCCC)C(O)CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC 530 True True False False False null null 98.1 99.8 null null null 84.22 P. cold 1 952.88947:4655 953.89282:3625 954.89618:895 38424 35110 33999 0 0 0 0 21213 22467 20884 19457 21523 18822 20350 0 12759 13218 9843 10725 12159 6211 35455 33226 37181 0 0 11940.0703125 9698.1328125 35287.3385416667 35844.1471354167 20673.5887276786 0 0 1830.26543737825 3104.0428562928 1982.78016285585 2301.9725301094 1244.09290130879 1085 8.576 952.89313 w/o MS2:Cer 19:0;3O/38:0;(2OH) [M-H]- ion correlated with 887 0.208 False 14.86 952.89142 C57H115NO5 Cer_AP HTOWHNCYANBSOM-UHFFFAOYSA-N O=C(NC(CO)C(O)C(O)CCCCCCCCCCCCCCC)C(O)CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC 530 True True False False False null null 98.6 99.8 null null null 121.65 P. cold 1 952.89313:6941 953.89648:4457 954.89984:1338 57751 48543 51970 563 0 0 0 31986 26027 31995 26355 28763 23075 25264 0 9665 10517 5737 10446 13509 7909 47604 41871 51272 187.779073079427 0 8639.67252604167 10621.4451497396 46915.7174479167 52754.2265625 27637.8507254464 325.242895171757 0 2549.93083442708 2804.48070157296 4737.98896154522 4653.85468720288 3412.10262553534 1086 6.348 953.52869 Unknown [M-H]- 0.042 True null null null null null null 999 True False False False True null null null null null null null 156.68 B. room temp 2 953.52869:7834 954.53204:9251 955.5354:4793 59.01322:31 61.98996:17 91.01676:36 137.0616:42 161.46304:10 165.0396:86 223.01965:44 239.04111:74 239.05901:17 240.06259:36 241.0547:37 299.04251:34 313.08447:17 325.15781:48 329.15781:14 408.7338:14 483.16373:23 510.18637:27 528.16595:19 539.36633:7 541.16827:64 542.18536:57 543.13477:33 543.19092:87 544.19159:30 545.89374:15 555.01404:23 577.41864:21 613.19525:15 614.20532:39 615.19897:36 615.32764:25 657.22034:36 893.45374:19 893.50122:57 893.65125:53 907.52032:46 935.57416:14 947.69891:12 953.24908:77 953.30225:89 953.39929:129 953.52606:7380 953.62836:89 953.73761:19 953.78259:28 953.86908:27 953.91064:38 953.97314:19 15555 20412 10050 0 0 0 0 36742 27650 33449 49510 38656 33862 29073 0 64524 44135 74616 62235 48786 43314 14233 10788 7109 0 0 61091.7799479167 51445.2565104167 10709.9150390625 15338.7666015625 35563.248046875 0 0 15527.8161353627 9736.79685846081 3562.48900256832 5184.42104521379 7275.01367520291 1087 7.114 953.53009 w/o MS2:PG 22:3_22:5;4O [M-H]- 0.167 True 7.69 953.53967 C50H83O15P OxPG PAFCWOFZUWKSSM-UHFFFAOYSA-N O=C(OCC(OC(=O)CC(O)CC(O)C(O)C=CCC=CCC=CCC=CCC=CC(O)CO)COP(=O)(O)OCC(O)CO)CCCCCCCCC=CCC=CCC=CCCCCC 530 True True False False False null null 88.1 100 null null null 179.03 B. cold 2 953.53009:12425 954.53344:12125 955.5368:5514 44.99905:49 118.97125:30 171.06799:57 196.99716:19 291.07004:19 323.23398:7 331.99704:24 491.35516:43 557.2052:15 849.50726:21 893.60327:14 909.52008:19 948.4104:22 951.50958:24 952.75708:49 953.32166:59 953.52795:7790 953.67712:132 953.77155:31 953.81378:10 953.88678:21 953.96338:75 14189 12446 11666 0 0 0 0 49990 44599 50079 48564 50595 43257 43972 0 94782 132047 49825 96170 92436 80609 15582 18937 13951 0 0 92217.9778645833 89738.2369791667 16156.95703125 12766.8134765625 47293.69140625 0 0 41170.6586277258 8124.08689752131 2541.90732121813 1291.54753437172 3218.11987785623 1088 4.091 953.54852 w/o MS2:DGDG 11:0_22:6 [M+FA-H]- ion correlated with 1019; adduct linked to 1019_[M-H]- 0.25 False 8.13 953.54791 C48H78O15 DGDG AXNAMQOKDBVTKI-UHFFFAOYSA-N O=C(OCC(OC(=O)CCC=CCC=CCC=CCC=CCC=CCC=CCC)COC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O)CCCCCCCCCC 530 True True False False False null null 99.8 99.9 null null null 79.39 P. room temp 1 953.54852:4475 954.55187:2665 955.55523:764 25679 25952 28462 0 0 0 0 14929 13215 13456 13349 13848 11787 12068 0 5102 6450 5994 5505 8447 6288 31736 26474 31560 0 0 5848.70475260417 6746.46744791667 29923.6881510417 26697.6927083333 13236.0026506696 0 0 685.902183694865 1523.63481285511 2988.57055650297 1534.07052639465 1061.78932273199 1089 6.439 954.50824 Unknown [M-H]- 0.042 False null null null null null null 999 False False False False False null null null null null null null 166.48 QC-1 954.50824:8324 955.51159:1466 956.51495:346 81387 76786 68393 0 0 0 0 83866 36767 84496 21508 27269 71943 30539 0 19492 26750 10547 20614 23985 26092 77764 30677 79351 0 0 18929.7877604167 23563.517578125 62597.3919270833 75522.2916666667 50912.6297433036 0 0 8115.98976471951 2762.8803468083 27655.2023000604 6588.55542367378 27972.747393336 1090 6.36 954.52972 w/o MS2:RIKEN N-VS1 ID-8116 from Mouse_Muscle_WT_CTX0_Ctr [M-H]- 0.125 False 9.91 954.53009 Unknown 530 True True False False False null null 99.9 99.9 null null null 100.64 B. room temp 1 954.52972:6130 955.53307:4408 956.53643:1809 9413 9813 7946 0 0 0 0 20437 16902 17571 23368 20217 18117 16736 0 34081 29012 32732 34462 30551 28216 7911 7308 10158 0 0 31941.7037760417 31076.2506510417 8458.87906901042 9057.30078125 19049.65234375 0 0 2625.22283070298 3156.41009279378 1502.21200319183 982.709928336085 2413.84746399887 1091 7.114 954.53149 w/o MS2:RIKEN N-VS1 ID-8117 from Mouse_Brain_WT_N_F1AA [M-H]- 0.083 False 10.18 954.5321 Unknown 530 True True False False False null null 99.8 100 null null null 208.31 B. room temp 2 954.53149:12170 955.53484:8898 956.5382:2743 9316 9536 7965 0 0 0 0 36524 33834 34209 34519 33380 30556 30892 0 66246 91504 35892 65717 63464 57427 9836 13433 10131 0 0 64547.1223958333 62202.6627604167 11133.0865885417 8938.64957682292 33416.3853236607 0 0 27844.8884936934 4286.96112224859 1996.80773181981 850.660099971432 2091.04004837618 1092 1.587 955.46808 w/o MS2:DLCL 17:3_22:6 [M-H]- similar chromatogram in higher mz_1218 0.083 False 7.43 955.4743 C48H78O15P2 DLCL AJMLHTWARZTPPQ-UHFFFAOYSA-N O=C(OCC(O)COP(=O)(O)OCC(O)COP(=O)(O)OCC(O)COC(=O)CCCCCCC=CCC=CCC=CCC)CCC=CCC=CCC=CCC=CCC=CCC=CCC 530 True True False False False null null 82.4 99.8 null null null 81.65 B. cold 1 955.46808:4548 956.47143:3603 957.47479:4257 0 0 0 0 0 0 0 6859 7581 7969 7692 7775 6933 7865 0 15294 10264 14214 36996 28561 17091 0 0 0 0 0 13257.4635416667 27549.4147135417 0 0 7524.72230747768 0 0 2648.10780732533 9991.09555094011 0 0 447.378654173875 1093 4.174 955.55774 w/o MS2:SMGDG O-17:4_28:7 [M-H]- 0.125 False 9.2 955.5611 C54H84O12S EtherSMGDG BDXOFQCLEYIJJY-UHFFFAOYSA-N O=C(OC(COCCCCC=CCC=CCC=CCC=CCC)COC1OC(CO)C(O)C(OS(=O)(=O)O)C1O)CCCCCC=CCC=CCC=CCC=CCC=CCC=CCC=CCC 530 True True False False False null null 94.5 99.9 null null null 90.54 B. cold 3 955.55774:4932 956.56109:4509 957.56445:1237 8922 8955 9780 0 0 0 0 12660 13379 13951 12774 12838 12948 13779 0 37413 38175 15288 15095 30357 39513 8884 13120 9871 0 0 30291.7447916667 28321.3313802083 10624.9563802083 9219.26888020833 13189.8821149554 0 0 12999.3116109198 12335.4605452021 2216.41013840641 485.88620749776 515.878125927647 1094 4.569 955.56329 w/o MS2:DGDG 11:0_22:5 [M+FA-H]- ion correlated with 1021; adduct linked to 1021_[M-H]- 0.25 False 8.25 955.5636 C48H80O15 DGDG YCJKWCYTNZTJJV-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCC=CCC=CCC=CCC=CCC=CCC)COC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O)CCCCCCCCCC 530 True True False False False null null 100 99.9 null null null 97.32 P. room temp 1 955.56329:5505 956.56664:3968 957.57:1000 31824 32730 32431 0 0 0 0 19661 18276 18164 16148 18584 16348 17690 0 9805 11650 9197 7443 11814 11268 38244 34259 36443 0 0 10217.3701171875 10174.9293619792 36315.2486979167 32328.3098958333 17838.84375 0 0 1277.16699968746 2381.36500281752 1995.59305849049 461.743661389151 1243.44304237406 1095 1.56 957.48004 Unknown [M-H]- 0.042 False null null null null null null 999 False False False False False null null null null null null null 67.31 B. cold 1 957.48004:3366 958.48339:1919 959.48675:0 0 0 0 0 0 0 0 4865 5468 5509 4858 4732 5448 5203 0 872 9139 11628 39984 27162 15224 0 0 0 0 0 7212.92254638672 27456.3271484375 0 0 5154.74065290179 0 0 5630.718746877 12382.437800557 0 0 332.285785024693 1096 5.033 957.57947 w/o MS2:DGDG 11:0_22:4 [M+FA-H]- ion correlated with 1024; ion correlated with 1286; adduct linked to 1024_[M-H]- 0.25 False 8.44 957.57922 C48H82O15 DGDG QESIMNPCBGEXLR-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCCCC=CCC=CCC=CCC=CCC)COC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O)CCCCCCCCCC 530 True True False False False null null 100 99.9 null null null 96.15 P. room temp 3 957.57947:5451 958.58282:4391 959.58618:1518 30194 29015 30467 0 0 0 0 19908 18213 17771 17597 16771 17309 16988 0 3898 5023 6242 3679 5141 5663 35357 33855 36060 0 0 5054.46744791667 4827.65625 35090.5794270833 29892.0384114583 17793.7564174107 0 0 1172.13580578626 1028.78247457225 1126.31294025054 771.478766102369 1049.97589228655 1097 1.576 959.43787 Unknown [M-H]- 0.083 False null null null null null null 999 False False False False False null null null null null null null 65.56 B. cold 1 959.43787:3451 960.44122:4257 961.44458:9811 0 0 0 0 0 0 0 5627 6879 5253 5545 5342 3938 4766 0 9344 21612 13639 19246 9876 6220 0 0 0 0 0 14864.8395182292 11780.7495117188 0 0 5335.755859375 0 0 6225.53089469359 6718.29780009609 0 0 893.990132330061 1098 5.244 959.48083 w/o MS2:PI 16:2_22:5;4O [M-H]- 0.083 False 6.65 959.47748 C47H77O18P OxPI QYGMSRQOJQRDKV-UHFFFAOYSA-N O=C(OCC(OC(=O)CC(O)CC(O)C(O)C=CCC=CCC=CCC=CCC=CC(O)CO)COP(=O)(O)OC1C(O)C(O)C(O)C(O)C1O)CCCCCCCC=CCC=CCCC 530 True True False False False null null 94.5 100 null null null 70.53 B. room temp 2 959.48083:3779 960.48418:3694 961.48754:1852 4967 4278 4800 0 0 0 0 8759 8047 7079 8658 8342 7379 8397 0 22817 25716 16635 12046 19211 18611 6189 6513 7347 0 0 21722.5065104167 16622.6868489583 6682.9404296875 4681.7080078125 8094.41957310268 0 0 4638.64473771105 3974.58962973363 597.532668196066 359.072731686023 640.214746681813 1099 5.603 959.59552 Unknown [M+FA-H]- ion correlated with 1027; adduct linked to 1027_[M-H]- 0.792 True null null null null null null 999 True False False False True null null null null null null null 281.72 P. cold 2 959.59521:17617 960.59856:11207 961.60192:2742 44.99755:14 73.03022:33 100.93241:45 101.02204:91 113.02157:34 113.19358:10 143.03271:30 158.9747:215 161.34848:13 179.05896:43 235.08231:159 251.201:30 255.23125:74 277.21732:292 287.07541:26 379.12408:177 397.08075:22 397.1084:51 397.13199:102 415.14288:59 441.31546:5 635.26788:37 635.32013:28 635.35895:270 653.30017:38 653.37225:78 654.3728:35 657.2843:53 657.34583:255 658.34412:40 675.35889:85 911.46741:20 913.31482:32 913.41907:40 913.58746:3968 913.70123:29 913.80176:19 913.87848:57 913.948:47 914.03546:22 914.08838:22 914.16083:7 914.2251:31 914.29669:23 914.38025:11 914.48016:30 914.54639:91 914.58948:313 914.66406:5 914.7251:20 914.78101:11 914.89178:24 914.95502:18 915.24768:19 915.39001:14 919.16565:18 959.3587:24 959.59338:3049 959.78577:36 959.84039:32 959.90637:10 960.00098:19 960.06519:16 140402 144525 144309 0 0 0 0 118506 108817 107058 105724 108559 109238 106565 0 53600 59091 81872 74901 89602 86621 150088 156683 153624 0 0 64854.5755208333 83707.9166666667 153464.973958333 143078.635416667 109209.379464286 0 0 14991.2580517433 7771.57996742514 3300.4253078917 2320.17108035645 4296.90299854954 1100 7.188 960.69073 w/o MS2:PC O-24:0_18:3;3O [M-H]- 0.25 False 10.08 960.69098 C50H96NO10P EtherOxPC VMTVUIZPMKICKO-UHFFFAOYSA-N O=C(OC(COCCCCCCCCCCCCCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C)CCCCCC=CC(O)C=CC(O)C(O)CC=CCC 530 True True False False False null null 100 100 null null null 99.93 P. room temp 1 960.69073:6523 961.69408:4730 962.69744:1284 27683 32635 44115 0 0 0 0 10570 8884 9475 9328 8201 8990 8532 0 1561 940 1824 2275 2561 2514 44296 26704 29208 0 0 1441.55114746094 2449.93587239583 33402.732421875 34810.87890625 9140.16350446429 0 0 453.841414571883 153.385257614282 9516.49319424674 8429.36717193324 767.214103688257 1101 1.598 961.45801 Unknown [M-H]- ion correlated with 1046 0.167 False null null null null null null 999 False False False False False null null null null null null null 87.38 B. cold 1 961.45801:6082 962.46136:4362 963.46472:2831 0 0 0 0 0 0 0 8079 11323 8611 8604 9053 8907 8888 0 20934 32925 27947 49235 29105 15111 0 0 0 0 0 27268.857421875 31150.2366536458 0 0 9066.40673828125 0 0 6024.28253231754 17153.8057529899 0 0 1044.29836468501 1102 4.46 961.53253 w/o MS2:PI 17:2_22:3;4O [M-H]- 0.25 False 7.2 961.52948 C48H83O17P OxPI NYVNJYIZPVLOLM-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCC(O)CCC(O)C(O)C=CCC=CCC=CCCCC(O)C)COP(=O)(O)OC1C(O)C(O)C(O)C(O)C1O)CCCCCCCC=CCC=CCCCC 530 True True False False False null null 95.5 100 null null null 68.1 QC-5 961.53253:3622 962.53588:2754 963.53924:1263 9645 9757 9117 0 0 0 0 24276 25330 24569 24457 26206 23920 24292 0 10375 9683 11538 5296 10925 11974 12838 15792 5202 0 0 10531.9720052083 9398.421875 11277.3784179688 9506.42740885417 24721.4927455357 0 0 937.832175802438 3591.41181272536 5464.66606638663 341.882350116409 784.599807293258 1103 5.032 961.59003 DGDG 38:7|DGDG 18:3_20:4 [M-H]- adduct linked to 1188_[M+CH3COO]-; found in higher mz's MsMs_1188; adduct linked to 1175_[M+FA-H]-; found in higher mz's MsMs_1175 0.792 True null null null null null null 999 True False False False True null null null null null null null 185.4 P. room temp 1 961.58368:11513 962.58703:10052 963.59039:2936 89.02631:20 101.02517:28 113.02442:17 143.02682:23 153.95576:11 161.04424:9 179.05415:24 187.07635:57 209.0435:32 215.1678:26 217.07269:97 259.08221:26 277.18579:46 277.21591:348 277.46774:5 303.23224:375 303.35434:14 305.07935:53 323.0531:20 379.12439:101 397.06601:27 397.134:306 397.33597:13 657.28882:28 657.34271:237 657.51917:16 657.61792:15 659.36328:20 675.35516:261 675.93414:26 676.3476:20 681.37305:19 683.27576:67 683.3244:19 683.36102:244 683.44739:6 698.98645:9 701.28149:6 701.34082:10 701.37305:229 702.36609:17 796.44928:14 902.46515:19 915.58136:36 943.99707:16 960.98615:15 961.21027:24 961.34967:14 961.39771:19 961.58661:4336 961.70306:72 961.83167:18 961.88757:35 961.94733:48 962.02679:30 76686 78907 79953 0 0 0 0 44113 59605 59809 60516 63940 63635 62740 0 52136 60350 71667 52786 70766 67846 82969 84083 84582 0 0 61384.1809895833 63798.9817708333 83878.1197916667 78515.3619791667 59194.01171875 0 0 9806.48050772081 9648.88400568035 826.065900204279 1667.96174159339 6886.42939770265 1104 6.031 961.61145 Unknown [M+FA-H]- ion correlated with 1029; ion correlated with 957; adduct linked to 1029_[M-H]- 0.792 True null null null null null null 999 True False False False True null null null null null null null 631.03 P. room temp 2 961.61145:64926 962.6148:48701 963.61816:14298 44.99691:33 59.01349:114 67.05467:15 71.01297:18 71.03626:9 89.0238:33 100.93215:88 113.02488:48 119.03532:37 125.02383:85 142.02834:49 158.93918:50 158.97491:1178 159.04295:50 159.10461:15 159.13963:9 159.20065:14 159.97401:48 161.04076:44 163.0424:48 167.03806:62 179.05736:25 217.07558:20 235.08234:55 253.06662:20 255.2039:34 255.23288:469 256.0528:12 256.23721:43 259.09369:11 279.23267:674 279.27841:6 279.64233:9 280.15079:13 280.18576:17 280.22336:8 280.86288:23 287.07578:40 293.24432:56 301.05896:44 301.09491:6 305.08932:23 323.10214:32 379.12418:356 397.13434:691 397.33499:10 397.63205:8 397.6669:18 398.13943:32 415.14432:94 415.31204:9 418.25278:10 495.87646:18 497.30844:28 567.32367:9 633.34473:13 635.27026:42 635.36359:793 636.33252:16 636.36481:77 636.79321:32 637.64496:12 653.37231:406 653.61859:13 659.18756:30 659.28455:57 659.36517:686 659.69281:7 659.78625:6 659.93237:6 660.33185:13 660.35852:34 677.25928:21 677.31042:27 677.37451:304 857.52203:24 897.58502:33 901.91626:29 909.37213:9 909.60516:12 910.07025:8 910.3515:6 912.28839:5 912.93005:18 913.15857:31 915.09131:28 915.1958:33 915.23944:22 915.34155:49 915.41315:99 915.5022:407 915.60486:17647 915.83923:57 915.92175:46 915.98944:52 916.04681:29 916.09503:46 916.16803:63 916.23102:44 916.34753:29 916.41022:67 916.60358:753 916.70966:38 916.74103:30 916.80615:52 916.85828:52 916.90094:29 916.97369:41 917.00519:47 917.1098:45 917.1778:9 917.29822:47 917.46564:12 917.61218:18 917.66449:36 917.70636:19 917.85291:14 917.89478:14 917.97101:13 918.35803:18 918.69061:33 920.41949:20 921.75214:12 921.85626:8 941.61627:7 942.0567:21 943.52173:16 955.26434:8 955.72363:11 956.0697:18 956.49292:13 956.69604:47 956.77081:11 957.57257:19 959.29492:17 960.90094:6 961.14362:12 961.35474:51 961.39783:75 961.6098:12945 961.86572:54 961.922:44 962.08569:50 411272 412921 403610 0 0 0 0 251969 214197 214340 217706 221537 223785 228225 0 31464 34915 35458 40989 40537 42644 452063 485723 465648 0 0 33945.607421875 41390.1588541667 467811.34375 409268.020833333 224537.020089286 0 0 2165.91570096894 1109.36611837838 16934.0675159792 4968.57360539225 13122.6986794721 1105 8.339 962.91113 w/o MS2:Cer 21:0;2O/38:1;(2OH) [M-H]- 0.333 False 15.19 962.91211 C59H117NO4 Cer_ADS ATKIHFPDIBYGAS-UHFFFAOYSA-N O=C(NC(CO)C(O)CCCCCCCCCCCCCCCCCC)C(O)CCCCCCCCCCCCCCCCCCCCCCCCC=CCCCCCCCCCC 530 True True False False False null null 99.5 99.8 null null null 94.05 B. cold 1 962.91113:5990 963.91448:4132 964.91784:3278 0 638 960 0 0 0 0 28449 26365 25687 26862 24498 28182 27076 0 60983 53654 48474 58807 46174 41439 259 305 0 0 0 54370.53515625 48806.6393229167 187.979431152344 532.640706380208 26731.3939732143 0 0 6285.17413462608 8977.89334061558 164.415779099288 488.427213395771 1378.55516401133 1106 5.998 963.513 Unknown [M+Hac-H]- adduct linked to 1069_[M+FA-H]- 0.792 True null null null null null null 999 True False False False True null null null null null null null 312.61 B. room temp 2 963.513:35899 964.51635:36673 965.51971:20111 33.3822:22 37.95041:20 59.00185:28 136.96461:48 141.09264:57 158.97867:50 179.05495:58 200.1386:19 202.89667:17 323.98148:13 335.21655:17 377.26566:45 407.25104:22 417.25906:8 491.35641:19 495.11642:23 497.17917:62 501.19366:41 525.94489:32 536.36902:18 540.16309:64 549.52502:17 553.17194:63 554.17627:22 555.10394:15 555.19153:68 556.05737:7 557.8183:12 562.4552:51 567.18475:43 574.35919:15 590.47833:40 616.12543:17 626.1322:47 626.19342:40 655.38342:9 679.37335:13 685.45721:19 725.20782:15 772.40698:21 805.72424:10 845.92743:5 853.52814:21 883.46991:17 889.43707:23 900.53918:18 900.88831:12 903.07898:13 903.48853:86 903.52808:41 917.56409:25 917.60699:197 917.66681:6 935.53766:16 937.53247:13 945.5307:17 957.52191:6 958.19562:22 962.14661:17 962.56464:31 962.82196:31 963.11896:29 963.21936:115 963.28033:89 963.32922:152 963.5127:23292 963.73932:88 963.8186:126 963.93146:80 963.9787:39 49515 54016 55674 0 0 0 0 89641 89594 87230 84066 82933 84629 85775 0 209661 247110 159025 122597 187495 173526 62815 62559 73817 0 0 205265.5625 161206.140625 66397.0703125 53068.4830729167 86266.8058035714 0 0 44206.803964449 34157.9350832442 6426.95796652238 3187.02770691115 2654.10303979138 1107 5.49 963.60516 DGDG 38:6|DGDG 18:2_20:4 [M-H]- ion correlated with 1177; adduct linked to 1189_[M+CH3COO]-; found in higher mz's MsMs_1189; adduct linked to 1177_[M+FA-H]- 0.542 True null null null null null null 999 True False False False True null null null null null null null 179.45 P. cold 1 963.60516:12856 964.60851:9582 965.61187:2835 69.03523:36 89.0127:13 89.02451:78 161.04585:29 209.04881:7 235.06654:46 259.08817:15 279.20444:26 279.23215:338 303.2327:520 303.48184:10 303.51208:11 304.23911:16 345.24457:33 361.01227:16 378.88412:8 379.12186:178 397.13577:279 411.37799:28 415.14584:16 434.17545:10 465.29977:38 567.31549:28 591.31622:19 659.30231:21 659.3653:244 659.79669:9 660.36743:85 677.26678:35 677.37323:150 678.38165:35 683.27985:35 683.31421:26 683.3609:306 683.55682:19 684.36115:23 685.19525:10 701.29633:61 701.36957:109 931.51257:40 957.71167:6 962.39044:24 963.25836:24 963.3233:31 963.39227:47 963.60291:4146 963.75226:87 963.82739:22 963.91724:29 963.96954:35 964.08435:69 96905 93046 90642 0 0 0 0 37264 43890 48595 50528 50447 51255 52723 0 12385 13713 14299 9755 13261 13312 90025 95149 90777 0 0 13466.0231119792 12109.33203125 91983.8333333333 93530.7395833333 47814.5747767857 0 0 980.790058587514 2038.90968820652 2766.87017310714 3159.42206200588 5439.8657434457 1108 3.145 963.67749 Unknown [M-H]- 0.25 False null null null null null null 999 False False False False False null null null null null null null 64.82 QC-1 963.67749:3547 964.68084:3165 965.6842:1016 9624 9569 9813 0 0 0 0 22795 20479 19757 19404 21586 18931 21518 0 263 373 0 1137 1836 1592 12214 11394 12305 0 0 212.118784586589 1521.78385416667 11971.107421875 9668.65559895833 20638.5016741071 0 0 191.667006506405 355.070709191622 502.121614471828 127.903604231081 1388.25880706429 1109 5.997 964.51569 w/o MS2:PS 22:4_22:5;4O [M-H]- 0.042 False 7.12 964.51929 C50H80NO15P OxPS FUSCITNDMGCLAV-UHFFFAOYSA-N O=C(O)C(N)COP(=O)(O)OCC(OC(=O)CC(O)CC(O)C(O)C=CCC=CCC=CCC=CCC=CC(O)CO)COC(=O)CCCCCCCCC=CCC=CCC=CCC=CCC 530 True True False False False null null 93.7 100 null null null 182.12 QC-1 964.51569:9106 965.51904:7260 966.5224:2863 36851 35095 40503 0 0 0 0 62680 62227 60689 62691 62314 62670 60395 0 143975 173157 111359 92292 143633 131771 47473 46113 52860 0 0 142830.4609375 122565.3125 48815.3736979167 37482.9830729167 61952.3532366071 0 0 30914.7548665014 26879.8642428512 3568.34905008926 2758.64830696606 984.653827878459 1110 7.893 964.89081 w/o MS2:Cer 20:1;3O/38:0;(2OH) [M-H]- 0.542 False 14.61 964.89142 C58H115NO5 Cer_AP YGXPGLHRDGVYCP-UHFFFAOYSA-N O=C(NC(CO)C(O)C(O)CCCC=CCCCCCCCCCCC)C(O)CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC 530 True True False False False null null 99.8 99.8 null null null 127.26 B. cold 2 964.89081:7624 965.89416:5574 966.89752:2075 12550 13304 15142 0 0 0 0 47649 45859 45014 44397 45381 42547 43286 0 72102 66606 66829 68176 72035 61868 18195 12883 17427 0 0 68512.3098958333 67359.9921875 16168.2311197917 13665.3483072917 44876.2003348214 0 0 3110.59813072266 5132.53371560849 2870.60520924604 1333.26064076169 1688.710371403 1111 8.328 964.89545 w/o MS2:Cer 20:1;3O/38:0;(2OH) [M-H]- 0.042 False 14.61 964.89142 C58H115NO5 Cer_AP YGXPGLHRDGVYCP-UHFFFAOYSA-N O=C(NC(CO)C(O)C(O)CCCC=CCCCCCCCCCCC)C(O)CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC 530 True True False False False null null 92.2 99.8 null null null 63.38 B. cold 2 964.89545:3210 965.8988:2631 966.90216:3595 7964 7684 7496 0 0 0 0 20817 19740 19833 17989 18736 17546 16793 0 24405 27085 25480 28297 31451 24071 6835 7791 7885 0 0 25656.6380208333 27939.59375 7503.87923177083 7714.6689453125 18779.3233816964 0 0 1349.09616091739 3703.03100341017 580.911833775807 235.403340562094 1430.39824826053 1112 6.443 965.52362 w/o MS2:RIKEN N-VS1 ID-8203 from Mouse_Muscle_WT_CTX7_Ctr [M+Hac-H]- adduct linked to 1075_[M+FA-H]- 0.792 False 8.37 965.52972 Unknown 530 True True False False False null null 83 100 null null null 8351.13 P. room temp 3 965.52362:517989 966.52697:418508 967.53033:230884 4834048 4845258 4910662 10374 595 0 891 4822059 4385186 5156605 5145376 5040522 5156619 5237509 4643 3610842 3795090 3716924 3754808 1793296 3994932 5000818 5022862 5215004 5204.08709716797 445.281097412109 3707618.66666667 3181012.08333333 5079561.5 4863322.66666667 4991982.5 4913.84086809608 629.72256702858 92475.7607079868 1207779.29234987 117813.837018408 41377.978183852 299290.895046107 1113 6.798 965.52942 w/o MS2:RIKEN N-VS1 ID-8203 from Mouse_Muscle_WT_CTX7_Ctr [M-H]- ion correlated with 713 0.75 False 8.37 965.52972 Unknown 530 True True False False False null null 100 100 null null null 1137.07 B. cold 2 965.52942:153587 966.53277:142333 967.53613:79605 151692 150169 129113 0 0 0 0 499018 492689 498008 506197 495650 512327 505971 0 1159346 1003492 1123664 599779 1246937 808869 171278 102037 175349 0 0 1095500.97916667 885195.041666667 149554.7890625 143658.158854167 501408.575892857 0 0 81654.8776818365 330261.069142669 41201.9283277196 12619.1071333094 6945.38610960845 1115 6.566 966.53259 w/o MS2:PS 22:3_22:5;4O [M-H]- 0.042 False 7.46 966.53491 C50H82NO15P OxPS ZKMJTMIONQRZLC-UHFFFAOYSA-N O=C(O)C(N)COP(=O)(O)OCC(OC(=O)CC(O)CC(O)C(O)C=CCC=CCC=CCC=CCC=CC(O)CO)COC(=O)CCCCCCCCC=CCC=CCC=CCCCCC 530 True True False False False null null 97.3 100 null null null 1003.49 B. room temp 1 966.53259:140567 967.53594:105748 968.5393:39241 318031 378615 309460 891 0 0 0 481205 1072735 539952 576154 520350 482915 468015 61 973553 2989906 545088 507805 3083746 2963978 375721 464346 399603 317.392145792643 0 1502848.875 2185176.47916667 413223.583333333 335368.614583333 591617.955357143 497.518648069931 0 1305526.62194046 1453879.94212857 45855.3551439765 37696.8963910934 215540.502836134 1116 8.369 966.90649 w/o MS2:Cer 20:0;3O/38:0;(2OH) [M-H]- ion correlated with 865 0.792 False 15 966.90698 C58H117NO5 Cer_AP TULPJMXAGMSVIY-UHFFFAOYSA-N O=C(NC(CO)C(O)C(O)CCCCCCCCCCCCCCCC)C(O)CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC 530 True True False False False null null 99.9 99.8 null null null 31.47 QC-1 966.90649:9732 967.90984:5560 968.9132:1564 97468 83255 82651 1448 1413 0 582 87962 83434 81265 69364 73672 64018 66553 558 43160 39654 48079 36601 46021 38878 75465 83490 89673 1139.72082519531 291.139068603516 43631.0299479167 40499.8697916667 82875.9166666667 87791.2135416667 75181.1936383929 504.004651127845 411.732819355763 4232.49575131709 4914.85333171942 7123.7775117308 8385.45406327591 9161.8660274376 1117 8.771 966.90692 w/o MS2:Cer 20:0;3O/38:0;(2OH) [M-H]- ion correlated with 917 0.042 False 15 966.90698 C58H117NO5 Cer_AP TULPJMXAGMSVIY-UHFFFAOYSA-N O=C(NC(CO)C(O)C(O)CCCCCCCCCCCCCCCC)C(O)CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC 530 True True False False False null null 100 99.8 null null null 45.24 QC-2 966.90692:3060 967.91027:2423 968.91363:667 30866 22398 21773 215 0 0 267 19976 22787 21462 18965 19346 15731 17137 294 13126 13724 14983 11576 17174 10296 23284 17696 25927 169.677530924479 133.657379150391 13944.1796875 13015.1533203125 22302.291015625 25012.5130208333 19343.3034319196 152.221277417427 189.020078305725 947.844918420263 3657.80380593356 4202.71626129731 5078.97713254573 2408.52699055071 1118 5.618 967.50684 Unknown [M-H]- 0.167 False null null null null null null 999 False False False False False null null null null null null null 74.67 B. room temp 1 967.50684:4601 968.51019:3922 969.51355:2334 5466 6391 7161 0 0 0 0 21963 21078 19626 20597 20378 21021 21092 0 34607 34905 26916 27491 27709 29799 6452 5564 4975 0 0 32142.9036458333 28332.8645833333 5663.7177734375 6339.51123046875 20822.0739397321 0 0 4528.95268616684 1274.00883637472 743.823592333971 848.749616548258 725.742909125512 1119 6.226 967.50885 Unknown [M+FA-H]- adduct linked to 1141_[M+Hac-H]- 0.583 False null null null null null null 999 False False False False False null null null null null null null 224.87 B. room temp 2 967.50885:19556 968.5122:18686 969.51556:8870 42828 11967 10343 0 0 0 0 110796 111092 109665 107222 105902 102490 107354 0 145708 177072 141441 117828 140701 120925 47875 53592 9143 0 0 154740.328125 126484.682291667 36870.0970052083 21712.8352864583 107788.612723214 0 0 19457.1397921084 12408.776704114 24181.5512267442 18304.2822766186 3044.84293730484 1120 6.132 967.50989 Unknown [M-H]- 0.208 False null null null null null null 999 False False False False False null null null null null null null 71.27 P. room temp 2 967.50989:4447 968.51324:3520 969.5166:2615 42171 40122 36458 0 0 0 0 110796 112639 109665 21814 105902 102556 108865 0 145708 23926 141441 117828 16325 23011 47328 53591 36596 0 0 103691.56640625 52388.0745442708 45838.6106770833 39583.44921875 96033.9375 0 0 69112.1669693483 56771.0841560927 8594.82800759138 2894.17284154243 32895.1870117497 1121 6.451 967.52563 Unknown [M-H]- 0.042 False null null null null null null 999 False False False False False null null null null null null null 3985.35 B. room temp 3 967.52563:208474 968.52898:78948 969.53234:22740 2126544 2095603 2148917 5022 0 0 0 2039144 2181090 2139660 1477641 2213894 2202888 2225750 2209 933439 1659933 1572067 1594204 1593406 1785662 2189979 2206768 2238960 2410.22086588542 0 1388479.75 1657757.25 2211902.33333333 2123688.20833333 2068581 2517.07622539946 0 396518.085061605 110769.263076169 24890.6283397152 26771.5653563666 268217.404497266 1122 7.111 967.54498 w/o MS2:Ac2PIM1 14:0_18:2 [M-H]- 0.792 False 7.35 967.5401 C47H85O18P Ac2PIM1 KXWHTCAZLQIVKT-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCCCCCCCC)COP(=O)(O)OC1C(O)C(O)C(O)C(O)C1OC2OC(CO)C(O)C(O)C2O)CCCCCCCC=CCC=CCCCCC 530 True True False False False null null 88.8 100 null null null 752.35 B. room temp 2 967.54498:99578 968.54833:100469 969.55169:55433 95731 91824 89223 0 0 0 0 286143 281047 274982 284276 285564 283873 282398 0 572868 787224 302893 610834 600001 523490 114439 141311 91186 0 0 554328.104166667 578108.40625 115645.427083333 92259.0677083333 282611.799107143 0 0 242697.302252115 47610.1774773504 25084.2572342138 3275.92268022609 3791.21371024681 1123 4.104 967.56378 w/o MS2:DGDG 12:0_22:6 [M+Hac-H]- adduct linked to 1019_[M-H]- 0.542 False 8.25 967.5636 C49H80O15 DGDG RMLLDHPXAJIYDI-UHFFFAOYSA-N O=C(OCC(OC(=O)CCC=CCC=CCC=CCC=CCC=CCC=CCC)COC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O)CCCCCCCCCCC 530 True True False False False null null 100 99.9 null null null 116.74 P. room temp 3 967.56378:9021 968.56713:6781 969.57049:2019 60881 59210 61728 0 0 0 0 38160 30697 30083 29745 29423 30616 30710 0 9968 11651 11852 10036 14474 12859 62600 59751 66696 0 0 11156.9459635417 12456.3190104167 63015.9244791667 60606.3216145833 31347.6403459821 0 0 1034.80626133139 2246.00247501412 3491.39229049372 1281.70741499343 3045.49968039783 1124 6.565 968.53467 Unknown [M-H]- 0.042 False null null null null null null 999 False False False False False null null null null null null null 362.44 QC-2 968.53467:18122 969.53802:6198 970.54138:1003 60382 71948 57391 0 0 0 0 762524 139124 246964 112518 100973 93975 90808 0 191411 627037 107581 98387 701884 615140 70683 89348 77896 0 0 308676.346354167 471803.661458333 79308.9322916667 63240.2291666667 220983.752232143 0 0 278876.321169616 326283.571604097 9412.3568714293 7688.04372656782 244910.147730166 1125 6.465 969.52728 Unknown [M-H]- 0.042 False null null null null null null 999 False False False False False null null null null null null null 384.29 B. cold 3 969.52728:23642 970.53063:4838 971.53399:0 222092 216281 217768 0 0 0 0 233322 232541 224288 150931 230910 236217 234903 0 146062 174158 159438 154710 164367 157511 223490 224323 234938 0 0 159886.119791667 158862.8125 227583.536458333 218713.557291667 220444.551339286 0 0 14053.6394959843 4968.15164751687 6382.43157755118 3018.6425704848 30893.2187336528 1126 4.582 969.57977 w/o MS2:DGDG 12:0_22:5 [M+Hac-H]- adduct linked to 1021_[M-H]- 0.542 False 8.4 969.57922 C49H82O15 DGDG BEUNWNYIARFPGU-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCC=CCC=CCC=CCC=CCC=CCC)COC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O)CCCCCCCCCCC 530 True True False False False null null 99.8 99.9 null null null 155.87 P. room temp 3 969.57977:11850 970.58312:8524 971.58648:2709 74913 73762 75123 0 0 0 0 42654 35479 34907 37522 37068 37027 35289 0 11022 14965 14237 11072 15442 14186 82111 78460 85008 0 0 13408.1311848958 13566.876953125 81859.4661458333 74599.2864583333 37135.0848214286 0 0 2098.09600685965 2249.80512818852 3281.4463051615 732.798183426139 2637.4631352251 1127 7.921 971.49408 Unknown [M+FA-H]- adduct linked to 1153_[M+Hac-H]- 0.042 False null null null null null null 999 False False False False False null null null null null null null 127.75 P. room temp 2 971.49408:6388 972.49743:7046 973.50079:5449 7736 8251 0 0 0 0 0 2826 2856 2109 2598 2503 2503 2262 0 0 0 0 0 0 0 5496 43719 0 0 0 0 0 16405.1118164063 5328.94173177083 2522.37618582589 0 0 0 0 23813.5101837882 4622.17730033392 273.437874508862 1128 5.047 971.59601 DGDG 34:4|DGDG 16:2_18:2 [M+CH3COO]- adduct linked to 1024_[M-H]- 0.542 True 8.59 971.59491 C49H84O15 DGDG ZGGUHLAQJRRFRW-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCCC=CCC=CCCCCC)COC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O)CCCCCCCC=CCC=CCCC 430 True True True False True null null 85.6 99.9 50.3 54 100 167.04 P. room temp 3 971.59601:12947 972.59936:11066 973.60272:2649 71.01012:33 73.03166:18 148.61937:16 159.65894:13 161.04597:41 235.07561:6 251.20129:150 253.09431:5 277.21521:30 279.23254:162 323.09793:42 379.12524:163 397.134:104 415.14822:20 620.12762:27 631.28625:68 631.32928:166 632.35449:10 649.33862:23 657.33496:49 659.27979:16 659.3645:259 659.82648:17 677.36755:105 745.49994:37 910.1499:6 910.79218:20 911.33844:44 911.43268:95 911.47235:146 911.57141:4278 911.66589:38 911.75085:23 911.82336:25 911.85004:17 911.95923:17 912.03204:31 912.11462:15 912.14429:22 912.19312:27 912.23035:16 912.30896:10 912.41321:48 912.5426:21 912.57599:303 912.68945:10 912.90881:20 912.92969:16 912.98193:25 913.07068:10 913.17877:7 913.276:38 913.60846:18 913.71454:18 914.29736:10 914.72638:19 920.51471:27 971.49237:55 971.59088:453 971.66449:26 972.00916:10 79448 80716 79037 0 0 0 0 52104 43878 43865 41298 42816 43341 43051 0 11007 11323 12439 8898 12039 11619 88957 88781 91951 0 0 11589.9443359375 10852.07421875 89896.0963541667 79733.7864583333 44336.14453125 0 0 752.405625734206 1705.39850838954 1781.471814354 874.874189976448 3534.34817159574 1129 4.558 972.55511 Unknown [M-H]- 0.125 False null null null null null null 999 False False False False False null null null null null null null 73.18 P. room temp 3 972.55511:4191 973.55846:3173 974.56182:882 17995 18055 22417 0 0 0 0 6787 8051 7270 7799 7939 7061 7878 0 1282 1689 1753 1719 2641 1665 20951 19567 26187 0 0 1574.70467122396 2008.49462890625 22235.1328125 19489.205078125 7540.82421875 0 0 255.712900175287 548.853073352516 3491.62607021163 2535.81403294353 495.019295087357 1130 5.604 973.61206 Unsettled: DGDG 16:0_18:3 [M+CH3COO]- 0.792 True 8.89 973.61047 C49H86O15 DGDG WVWINZZVFAFVMJ-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCCC=CCC=CCC=CCC)COC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O)CCCCCCCCCCCCCCC 530 True True False False True null null 81 99.9 48.6 46.6 90.9 791.53 P. room temp 3 973.61206:51968 974.61541:35229 975.61877:9608 58.29816:13 59.01547:40 71.01303:64 89.0263:64 113.0222:51 143.03146:51 161.04601:74 177.04366:29 179.0546:66 179.10081:18 217.06816:13 235.0518:36 235.0809:18 235.63919:10 255.23198:691 259.08298:51 277.18097:43 277.21796:304 287.07028:23 301.0892:21 305.08951:76 379.09131:18 379.12082:278 380.12811:80 395.31033:6 397.13327:557 397.71512:13 397.80472:9 398.13702:31 410.04868:13 459.29218:32 543.31262:14 565.28491:12 603.19012:8 617.35138:36 635.27747:35 635.31183:40 635.36328:771 635.62585:14 635.86981:17 636.37054:40 636.39282:5 636.71393:16 653.32751:34 653.37366:375 654.38708:19 654.60089:8 655.64368:9 657.14246:28 657.22839:32 657.34631:715 657.5119:19 658.47803:12 675.27917:25 675.32556:13 675.35498:140 675.45184:18 675.84607:9 676.35254:31 677.35852:14 679.89868:18 908.04053:18 908.14386:11 910.0296:16 911.0827:31 911.12445:31 911.24957:19 913.14905:21 913.27399:31 913.30695:45 913.36267:121 913.43921:304 913.58875:24871 913.8797:59 913.91364:65 913.96436:86 914.05054:79 914.17389:80 914.30658:42 914.36646:36 914.44562:58 914.4928:19 914.59167:880 914.73578:42 914.7995:74 914.83087:12 914.87268:42 914.99811:24 915.11273:13 915.1701:23 915.21619:37 915.2699:33 915.31311:18 915.41669:13 915.52026:26 915.58356:24 915.63544:53 915.71948:17 915.8714:13 916.08557:20 916.34698:11 916.60846:35 916.96289:10 917.10968:16 917.22583:13 917.27814:12 917.57123:7 918.33545:13 918.36682:9 920.96564:6 927.59668:27 936.78186:14 969.87665:7 972.12775:13 973.41089:55 973.60809:2227 973.7049:14 973.74426:8 973.85217:33 973.88464:26 973.95325:39 973.99249:45 974.10571:26 383411 384876 393431 0 0 0 0 331350 302366 296089 283359 290365 302034 308911 0 184571 208067 236248 218473 266136 253868 401364 412034 435954 0 0 209628.541666667 246158.932291667 416450.760416667 387239.6875 302067.633928571 0 0 25873.5713887506 24748.8507004714 17713.2471264869 5411.79403314895 15422.3372387426 1131 6.031 975.62756 DGDG 34:2|DGDG 16:0_18:2 [M+CH3COO]- adduct linked to 1029_[M-H]- 0.792 True 9.37 975.62622 C49H88O15 DGDG QZXMUPATKGLZAP-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCCC=CCC=CCCCCC)COC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O)CCCCCCCCCCCCCCC 430 True True True False True null null 83.7 99.9 50.6 44.8 100 1393.07 P. room temp 3 975.62756:135635 976.63091:95542 977.63427:32463 31.28328:6 43.60805:42 57.97398:30 59.01484:25 59.02547:6 87.01026:53 89.02364:216 101.02531:170 113.02507:237 125.02511:33 126.02675:64 131.03511:17 143.0356:29 158.1301:22 161.03938:60 161.05496:43 162.04755:18 179.05899:89 181.04897:17 217.04805:20 217.07228:45 219.97997:25 223.99043:23 235.08286:50 255.18231:35 255.23218:498 255.2793:6 255.29831:12 256.21564:26 256.23776:23 259.05579:20 259.07877:67 279.1637:101 279.20441:66 279.23251:859 279.33676:10 279.60248:19 279.71805:19 287.0773:83 288.10187:10 301.08057:19 305.0864:51 319.09875:11 328.25565:38 333.2453:28 341.10977:5 355.04364:35 376.84793:5 379.07785:47 379.12546:749 379.17923:5 379.21289:19 380.15598:7 397.03369:23 397.13522:1118 397.2196:27 397.57779:12 397.81372:13 415.14606:73 467.44196:48 507.30005:30 526.31104:16 532.42261:31 543.31317:10 567.31415:10 568.32123:34 575.18726:25 625.81189:26 635.28088:94 635.3642:1483 635.51343:29 635.60052:6 635.64404:5 635.72247:15 635.84448:6 635.97491:12 636.18402:6 636.28894:14 637.24487:27 637.84137:17 653.23126:22 653.37378:516 654.05286:19 654.37976:70 659.36389:1618 659.65192:6 659.69409:22 659.80066:26 659.93518:9 660.08679:14 660.28741:10 660.37543:63 660.42609:12 662.47498:10 677.3147:28 677.375:542 677.67175:13 677.92395:10 678.37427:48 679.78833:10 745.97443:11 775.58429:20 861.56598:31 863.58484:30 909.30103:5 909.38684:20 909.45746:19 909.59033:8 909.68671:31 909.86389:10 909.92621:17 909.9577:41 910.08636:12 910.19751:14 910.28613:13 910.52069:27 910.58325:12 910.82306:19 911.0274:11 911.76184:15 912.84729:6 913.08746:19 914.508:26 914.58429:11 914.6817:29 914.72748:19 914.82739:29 914.92023:33 915.00885:22 915.10376:25 915.13782:11 915.20599:20 915.23267:47 915.29907:40 915.38324:184 915.60651:61101 916.18207:64 916.2804:94 916.33459:88 916.37189:68 916.44788:77 916.54572:192 916.60864:2009 916.71747:36 916.77081:28 916.87238:92 916.9516:53 917.0177:54 917.06567:74 917.14911:35 917.20813:57 917.26508:62 917.34229:15 917.38666:40 917.47626:40 917.56116:20 917.6037:49 917.64093:32 917.67993:11 917.81158:18 917.86768:27 917.8974:61 918.07031:17 918.14807:17 918.23419:15 918.37091:34 918.47284:31 918.53552:36 918.62415:7 918.69263:5 918.75543:10 918.8183:7 918.8916:11 918.9649:27 919.10107:17 919.31061:22 919.3941:6 919.85553:14 919.90875:6 920.17786:13 920.28528:7 920.49707:17 920.55157:11 921.00867:12 921.30219:13 921.70074:5 922.19592:15 923.68469:15 926.82739:9 934.83063:5 937.75775:14 942.74829:11 943.51233:9 957.55328:27 961.61121:16 970.89032:21 975.21942:14 975.34705:17 975.41272:61 975.62616:7831 975.78326:46 975.84528:38 975.91156:28 975.97229:23 976.01196:62 976.05518:62 976.11951:64 897656 922413 915920 1024 0 0 0 565487 504935 500948 488058 498108 529058 521736 0 81860 94068 92373 99505 119491 108023 990714 1016877 1043716 341.370483398438 0 89433.328125 109006.606770833 1017102.25 911996.541666667 515475.808035714 591.271021450442 0 6613.57883393059 10029.0066824081 26501.5605070455 12836.2597974347 26141.3985531679 1132 8.535 976.92706 w/o MS2:Cer 22:0;2O/38:1;(2OH) [M-H]- ion correlated with 877 0.25 False 15.24 976.9278 C60H119NO4 Cer_ADS KPBRPPHYVHBQML-UHFFFAOYSA-N O=C(NC(CO)C(O)CCCCCCCCCCCCCCCCCCC)C(O)CCCCCCCCCCCCCCCCCCCCCCCCC=CCCCCCCCCCC 530 True True False False False null null 99.7 99.8 null null null 110.72 B. room temp 1 976.92706:6871 977.93041:5473 978.93377:1643 0 0 0 0 0 0 0 21168 15534 18868 20794 19914 20384 20506 0 55930 50421 40588 47372 34238 31451 0 0 0 0 0 48979.5950520833 37687.1315104167 0 0 19595.2628348214 0 0 7771.77696573695 8502.69425469249 0 0 1935.96856052078 1134 8.106 978.90594 w/o MS2:Cer 21:1;3O/38:0;(2OH) [M-H]- ion correlated with 1066; ion correlated with 834 0.417 False 14.88 978.90698 C59H117NO5 Cer_AP KAJMTYFLIQXKMI-UHFFFAOYSA-N O=C(NC(CO)C(O)C(O)CCCC=CCCCCCCCCCCCC)C(O)CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC 530 True True False False False null null 99.5 99.8 null null null 72.78 B. cold 2 978.90594:4286 979.90929:2969 980.91265:936 6323 7030 7651 0 0 0 0 24321 27978 25839 26190 26544 26030 24781 0 39789 40592 31517 39872 43108 36409 9030 7907 7258 0 0 37299.2024739583 39796.4908854167 8065.4375 7001.5986328125 25954.6481584821 0 0 5023.95298421264 3350.41476867442 896.486518335244 664.635622225019 1194.8602280299 1139 8.576 980.92346 w/o MS2:Cer 21:0;3O/38:0;(2OH) [M-H]- ion correlated with 887 0.167 False 15.05 980.92273 C59H119NO5 Cer_AP UXDUHCWBVYHULU-UHFFFAOYSA-N O=C(NC(CO)C(O)C(O)CCCCCCCCCCCCCCCCC)C(O)CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC 530 True True False False False null null 99.7 99.8 null null null 32.29 P. cold 1 980.92346:4887 981.92681:3186 982.93017:1053 42683 36561 35871 1281 69 0 0 22488 19589 23480 21186 20879 17636 18471 0 12818 11001 11185 9229 13322 9891 36737 32278 39113 449.994272867839 0 11668.1373697917 10813.7923177083 36042.5885416667 38371.6549479167 20532.5945870536 720.268048816512 0 999.999115697629 2196.89723208042 3470.30193395873 3749.89786746567 2105.07491847445 1140 5.856 981.52289 Unknown [M-H]- 0.75 True null null null null null null 999 True False False False True null null null null null null null 144.41 P. cold 2 981.52289:13976 982.52624:13157 983.5296:12939 158.97479:27 482.16095:26 511.15872:59 568.15546:41 570.17572:26 570.21783:5 625.1972:17 643.07849:13 716.96643:13 786.98871:43 805.87909:35 805.98297:266 806.11993:6 806.59534:15 806.75256:26 806.91901:21 806.98798:595 807.10583:8 807.22351:13 807.80286:8 807.94037:9 807.98865:63 830.02124:18 896.47064:8 903.53619:20 906.4884:20 920.47388:20 921.32745:6 921.37408:36 921.44751:37 921.49493:255 922.51666:62 922.95862:7 935.47192:6 938.04181:7 940.99152:10 962.03705:30 977.07855:10 979.49945:6 980.21338:31 980.81036:21 980.90363:47 980.96838:51 981.01831:640 981.15479:9 981.26276:39 981.31757:93 981.37799:158 981.52216:8393 981.67462:60 981.79346:25 981.87903:37 981.96729:57 982.02148:160 95453 97660 74970 0 0 0 0 51834 48349 47618 50306 50145 47646 46424 0 43089 39460 26859 42225 51996 55520 83457 45373 75660 0 0 36469.2727864583 49913.6744791667 68163.390625 89361.328125 48903.1796875 0 0 8518.07836341288 6887.92886992947 20118.6481061815 12511.5936376725 1905.48867232473 1141 6.228 981.52405 w/o MS2:PI 20:3_22:5;3O [M+Hac-H]- adduct linked to 1119_[M+FA-H]- 0.542 True 7.63 981.53461 C51H83O16P OxPI CWHUHBCCIUCTRT-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCC(O)C(O)C=CCC=CCC=CCC=CCC=CC(O)C)COP(=O)(O)OC1C(O)C(O)C(O)C(O)C1O)CCCCCCCCCC=CCC=CCC=CCC 530 True True False False False null null 86.5 100 null null null 1106.49 B. room temp 2 981.52405:93550 982.5274:95011 983.53076:51649 45.99054:29 135.23128:8 250.25394:13 393.6239:10 429.26575:25 442.07474:60 494.30933:28 505.30978:30 505.37677:18 510.15375:15 512.16748:35 543.1203:41 549.14429:13 550.92908:20 556.19531:34 565.11475:49 566.10779:29 567.15338:21 567.18524:59 569.17035:34 570.19299:13 571.17896:66 583.16241:28 584.14691:16 584.19226:234 584.2644:9 599.16687:32 616.3374:16 633.46985:15 634.76483:34 642.15155:35 642.19293:42 643.19885:29 643.22784:16 646.12402:23 661.66626:28 670.44128:6 672.85919:9 684.13696:43 695.46515:23 739.71216:29 776.51959:44 796.31891:58 803.9693:8 805.98114:121 806.87909:17 806.98804:451 807.24493:5 807.33344:23 807.93689:18 807.99097:83 808.23694:6 851.77679:9 863.4953:158 889.49866:10 889.58105:24 891.36493:27 921.42285:22 921.49164:23 922.51691:9 933.06879:16 944.66998:33 965.86926:23 970.55713:6 974.53882:6 974.66272:23 974.97577:10 975.20276:23 975.36401:5 975.45862:13 975.55847:13 975.68781:5 975.77393:20 975.80652:20 975.90576:8 975.99152:10 976.09821:12 977.0592:17 977.49524:14 977.62097:37 978.22107:7 978.29089:5 978.76654:19 978.82172:16 979.12329:48 980.37793:8 980.57397:11 980.64844:15 980.68091:8 980.74005:47 980.8703:49 980.92865:117 981.0199:740 981.15619:49 981.52466:56383 982.00873:159 54434 59890 49582 0 0 0 0 525437 518418 512300 519134 522664 529900 519234 0 737461 902969 661832 672532 823601 672467 276652 296944 46544 0 0 767420.791666667 722866.541666667 206713.229166667 54635.3567708333 521012.428571429 0 0 123328.929159964 87238.3895005952 139080.938197893 5156.71007791373 5636.52070123644 1142 6.14 981.52429 w/o MS2:PI 20:3_22:5;3O [M-H]- 0.292 True 7.63 981.53461 C51H83O16P OxPI CWHUHBCCIUCTRT-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCC(O)C(O)C=CCC=CCC=CCC=CCC=CC(O)C)COP(=O)(O)OC1C(O)C(O)C(O)C(O)C1O)CCCCCCCCCC=CCC=CCC=CCC 530 True True False False False null null 87.1 100 null null null 518.4 B. cold 3 981.52429:61546 982.52764:57028 983.531:33275 59.0147:126 198.93225:68 203.071:5 224.99417:25 356.54169:46 403.35742:44 408.89566:11 434.83774:38 435.86874:12 481.18213:20 495.16968:10 511.0097:41 512.17426:25 526.18054:23 531.22601:12 539.21124:7 541.20349:34 555.18335:21 556.19336:60 557.22058:10 569.17664:7 571.17828:63 583.18121:6 583.31055:9 584.18683:179 585.16473:32 625.17059:29 635.17206:25 642.19141:41 643.2002:41 660.36688:52 669.45514:54 685.21051:9 695.46277:39 718.64124:12 744.41602:23 798.46973:19 805.98004:163 806.79102:30 806.91827:21 806.98749:518 807.78229:17 807.99347:74 808.25378:17 812.56152:11 863.41882:10 863.49188:63 863.94861:22 912.06177:7 921.1947:42 921.51227:15 922.01294:13 928.06989:35 929.85675:18 949.55841:5 951.63593:26 967.54138:21 974.73499:15 974.81348:13 975.39496:10 975.63873:25 975.74933:11 975.82489:10 976.72272:16 977.35828:23 978.79553:31 978.84808:15 979.79034:30 979.85522:21 980.14557:24 980.35181:25 980.74237:20 981.01727:959 981.12317:15 981.21857:68 981.25336:113 981.52454:38986 981.87:89 981.92523:26 982.01868:162 237431 228623 204850 0 0 0 0 525437 518418 512300 519134 522666 529900 519234 0 737461 902958 661832 672661 147121 672467 276652 295774 205604 0 0 767416.8125 497416.557291667 259343.015625 223634.760416667 521012.674107143 0 0 123322.430131929 303364.609933901 47511.5749420997 16854.0146722913 5636.60785643565 1143 7.154 981.55896 w/o MS2:Ac2PIM1 15:0_18:2 [M-H]- 0.583 False 7.59 981.55573 C48H87O18P Ac2PIM1 NSBHFPMDZTUOHX-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCCCCCCCCC)COP(=O)(O)OC1C(O)C(O)C(O)C(O)C1OC2OC(CO)C(O)C(O)C2O)CCCCCCCC=CCC=CCCCCC 530 True True False False False null null 94.9 100 null null null 76.21 B. room temp 2 981.55896:7320 982.56231:6866 983.56567:4734 12578 13035 16167 0 0 0 0 32981 29017 31682 31452 30493 31881 32494 0 46215 51304 33346 41997 42616 38338 16469 38168 14559 0 0 43621.67578125 40983.72265625 23065.4296875 13926.4036458333 31428.4946986607 0 0 9255.89898241008 2311.71747878854 13113.9768442988 1953.78245137852 1323.16173633131 1144 4.703 981.57874 w/o MS2:DGDG 13:0_22:6 [M+FA-H]- ion correlated with 1050; adduct linked to 1050_[M-H]- 0.542 False 8.4 981.57922 C50H82O15 DGDG MSEMTXKVGRWAQA-UHFFFAOYSA-N O=C(OCC(OC(=O)CCC=CCC=CCC=CCC=CCC=CCC=CCC)COC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O)CCCCCCCCCCCC 530 True True False False False null null 99.9 99.9 null null null 83.26 B. cold 2 981.57874:6449 982.58209:4620 983.58545:1467 21085 22751 19706 0 0 0 0 30278 29202 26842 26197 25873 25798 26022 0 31261 36988 38538 30496 43916 42250 25017 23461 25067 0 0 35595.666015625 38887.3404947917 24514.912109375 21180.515625 27173.0368303571 0 0 3832.73546231517 7314.73230935461 913.205198202489 1524.72009504332 1813.36227165011 1145 7.531 981.71558 w/o MS2:HBMP 22:3_12:0_16:0 [M-H]- 0.25 False 13.18 981.71649 C56H103O11P HBMP XLLSLRIEYPHGGC-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCCCCCCCCCC)COP(=O)(O)OCC(OC(=O)CCCCCCCCCCC)CO)CCCCCCCCC=CCC=CCC=CCCCCC 530 True True False False False null null 99.6 99.8 null null null 95.98 B. room temp 1 981.71558:6442 982.71893:4504 983.72229:1261 4203 4883 5571 0 0 0 0 13673 13617 13369 12459 13463 13632 14039 0 62366 57015 31926 64740 63388 45794 5888 5012 5571 0 0 50435.6295572917 57974.0455729167 5490.35188802083 4885.75146484375 13464.6819196429 0 0 16251.8671939592 10569.7138093965 443.516489448755 684.048515334239 490.654749415584 1147 7.073 983.53906 Unknown [M-H]- 0.458 False null null null null null null 999 False False False False False null null null null null null null 84.98 B. room temp 2 983.53906:6446 984.54241:7090 985.54577:3638 17265 16575 14959 0 0 0 0 22357 18786 22910 20501 22118 20792 20691 0 35064 42322 23784 19963 33866 32837 20931 20459 18097 0 0 33723.5442708333 28888.515625 19828.8704427083 16266.1539713542 21165.1587611607 0 0 9341.38219699399 7747.0493797254 1518.46915411789 1183.67685836211 1404.59639084236 1148 5.181 983.59473 w/o MS2:DGDG 13:0_22:5 [M-H]- 0.167 False 8.7 983.59491 C50H84O15 DGDG SNRGALCNMPGAMI-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCC=CCC=CCC=CCC=CCC=CCC)COC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O)CCCCCCCCCCCC 530 True True False False False null null 100 99.9 null null null 70.95 QC-1 983.59473:3817 984.59808:2864 985.60144:1006 30306 31630 27827 0 0 0 0 30478 26962 27994 27914 28847 28013 29214 0 16974 19633 24398 17939 23832 23389 29882 33187 31729 0 0 20334.8821614583 21720.0091145833 31599.4134114583 29920.9244791667 28488.9093191964 0 0 3761.21450900753 3282.09747388124 1656.55703184929 1930.64644426526 1136.08654033247 1149 7.771 983.73181 w/o MS2:HBMP 22:2_12:0_16:0 [M-H]- 0.208 False 13.37 983.73218 C56H105O11P HBMP FHEXPJQWUTWINJ-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCCCCCCCCCC)COP(=O)(O)OCC(OC(=O)CCCCCCCCCCC)CO)CCCCCCCCCCCC=CCC=CCCCCC 530 True True False False False null null 99.9 99.8 null null null 91.73 B. cold 1 983.73181:5321 984.73516:4302 985.73852:1353 5707 6086 7205 0 0 0 0 9773 8742 8318 7449 7563 8192 8142 0 34647 28904 15902 37506 34704 29115 11751 9384 8834 0 0 26484.5426432292 33774.8333333333 9989.65299479167 6332.61946614583 8311.41482979911 0 0 9603.67608940764 4272.23428281178 1550.08923230945 779.02182239821 781.984247518395 1150 10.187 983.82227 w/o MS2:CL 24:0_28:0_28:0_28:0 [M-H]- 0.458 False 15.94 983.82312 C117H230O17P2 CL GOVBLDLLMBXMEY-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCCCCCCCCCCCCCCCCCC)COP(=O)(O)OCC(O)COP(=O)(O)OCC(OC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCCCCCCCCCCC 530 True True False False False null null 99.6 99.8 null null null 82.21 B. cold 1 983.82227:4866 984.82562:4960 985.82898:1576 29033 27989 30197 0 0 0 0 14295 18663 17336 16116 18330 17458 17479 0 22786 25518 34066 36522 36454 28762 27969 16802 32054 0 0 27456.6341145833 33912.53125 25608.4635416667 29073.0266927083 17096.7036830357 0 0 5884.90899833654 4460.56159709283 7895.28881163119 1104.25736411911 1478.44635778791 1151 6.219 984.52588 Unknown [M-H]- 0.042 False null null null null null null 999 False False False False False null null null null null null null 129.09 QC-6 984.52588:6454 985.52923:1837 986.53259:460 45378 8825 12100 0 0 0 0 78107 74738 75665 80270 78063 81835 78751 0 108258 136904 94390 95946 124795 104420 12136 51439 8119 0 0 113183.622395833 108386.802083333 23897.8245442708 22100.8567708333 78204.1171875 0 0 21680.7934713596 14827.7932085392 23935.408319259 20224.9150847764 2457.81054429572 1152 7.082 985.47186 w/o MS2:RIKEN N-VS1 ID-8349 from Mouse_Muscle_WT_CTX0_Ctr [M+FA-H]- adduct linked to 1165_[M+Hac-H]- 0.042 False 8.72 985.47113 Unknown 530 True True False False False null null 99.7 100 null null null 66.93 P. room temp 2 985.47186:3346 986.47521:2882 987.47857:2793 4377 4179 0 0 0 0 0 1958 2257 1409 2354 1612 2214 1338 0 0 315 0 0 0 244 1304 23306 0 0 0 105.087565104167 81.4852905273438 8203.31013997396 2852.22005208333 1877.32189941406 0 0 182.017002004119 141.13666326287 13095.7163495725 2472.08054431893 422.808082317242 1153 7.928 985.51117 w/o MS2:PI 22:6_22:6;2O [M+Hac-H]- adduct linked to 1127_[M+FA-H]- 0.25 True 7.31 985.50842 C53H79O15P OxPI VTILXOZBSPCLBL-UHFFFAOYSA-N O=C(OCC(OC(=O)CCC=CCC=CCC=CC=CC(O)CC=CCC=CC(O)C)COP(=O)(O)OC1C(O)C(O)C(O)C(O)C1O)CCC=CCC=CCC=CCC=CCC=CCC=CCC 530 True True False False False null null 99 100 null null null 234.39 P. room temp 2 985.51117:43193 986.51452:45933 987.51788:42031 59.01476:63 82.97373:58 145.00517:45 185.83582:13 279.23813:28 481.19034:25 517.1579:13 517.18427:39 521.92816:35 538.18597:43 539.12689:24 559.13214:76 560.14532:112 560.20251:5 561.14349:20 566.87964:11 575.1701:164 597.15417:16 643.87604:24 646.17529:18 891.75507:82 925.45087:21 925.49957:38 925.995:6 926.48926:21 979.05627:30 979.35907:10 979.66144:16 980.04041:15 981.89105:20 982.086:20 982.23761:32 983.06079:10 983.41846:17 984.19873:28 984.50226:13 984.68115:5 984.74078:13 985.04443:14 985.1637:54 985.24377:112 985.28296:115 985.51233:29947 985.77112:95 985.83502:33 985.87695:69 985.9306:38 986.00177:75 53143 56889 2916 0 0 0 0 21718 19417 20256 19205 19177 20235 21460 0 1801 1716 2535 2487 3373 3608 33153 305313 3048 0 0 2016.95324707031 3155.93237304688 113838.14436849 37649.4497070313 20209.7310267857 0 0 450.464590229291 590.880618873918 166503.982402648 30138.0635818116 1044.44611376911 1154 5.641 985.6098 w/o MS2:DGDG 13:0_22:4 [M+FA-H]- ion correlated with 1057; adduct linked to 1057_[M-H]- 0.458 False 8.92 985.61047 C50H86O15 DGDG AHRXTMCNILXDIA-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCCCC=CCC=CCC=CCC=CCC)COC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O)CCCCCCCCCCCC 530 True True False False False null null 99.8 99.9 null null null 71.93 P. room temp 2 985.6098:4208 986.61315:2577 987.61651:708 30856 30137 30493 0 0 0 0 25468 23335 23130 23801 25706 26171 25294 0 14735 16847 22140 18124 23042 20529 31899 32912 31785 0 0 17907.5865885417 20564.8619791667 32198.8125 30495.3932291667 24700.9054129464 0 0 3814.61105243095 2459.14139506265 620.292796726888 359.354474396505 1242.11122572545 1155 2.664 985.66077 Unknown [M-H]- 0.458 False null null null null null null 999 False False False False False null null null null null null null 95.89 QC-2 985.66077:5245 986.66412:3891 987.66748:1436 21511 21588 30416 0 0 0 0 38116 38579 36074 33238 35152 36050 35315 0 0 0 0 317 325 297 37633 27838 38637 0 0 0 312.830403645833 34702.9166666667 24504.623046875 36074.8392857143 0 0 0 14.3257076820865 5965.95313860198 5119.20439019657 1821.85055826121 1156 10.364 985.83759 w/o MS2:SM 12:1;2O/38:0 [M-H2O-H]- adduct linked to 1172_[M-H]- 0.708 False 13.66 985.83179 C55H111N2O6P SM NPFBBHMEYZUTSS-UHFFFAOYSA-N O=C(NC(COP(=O)([O-])OCC[N+](C)(C)C)C(O)C=CCCCCCCC)CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC 530 True True False False False null null 84.5 99.9 null null null 117.98 B. cold 2 985.83759:8230 986.84094:8708 987.8443:2735 54692 53319 51106 0 0 0 0 27279 25930 25616 24624 25872 25117 24826 0 47042 52235 56206 56326 62222 44871 45778 26654 56948 0 0 51827.73828125 54473.3346354167 43126.6686197917 53039.2604166667 25609.0379464286 0 0 4595.52796954917 8822.86841785133 15319.9899570828 1809.24120805428 893.17818635849 1157 5.38 987.60614 w/o MS2:PG 15:4_38:10 [M-H]- adduct linked to 1197_[M+Hac-H]- 0.083 False 10.73 987.61212 C59H89O10P PG WHIOWJJRWMHZHX-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCC=CCC=CCC=CCC=CCC=CCC=CCC=CCC=CCC=CCC=CCC)COP(=O)(O)OCC(O)CO)CC=CCC=CCC=CCC=CCC 530 True True False False False null null 83.6 99.9 null null null 63.32 P. room temp 1 987.60614:3182 988.60949:2937 989.61285:761 18911 18671 20550 0 0 0 0 12222 16643 14130 15751 17542 16740 15323 0 14654 19098 18810 8722 13089 13166 22753 22384 20638 0 0 17520.3564453125 11659.142578125 21925.111328125 19377.3001302083 15478.7131696429 0 0 2486.6130707039 2543.79007366529 1129.50861620983 1022.34711297157 1813.34587450968 1158 5.618 987.66919 w/o MS2:HBMP 22:6_12:0_17:1 [M-H]- 0.167 False 12.46 987.66962 C57H97O11P HBMP WIAKNIZYROGGBR-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCCC=CCCCCCCC)COP(=O)(O)OCC(OC(=O)CCCCCCCCCCC)CO)CCC=CCC=CCC=CCC=CCC=CCC=CCC 530 True True False False False null null 99.9 99.8 null null null 12.8 B. cold 1 987.66919:5737 988.67254:3547 989.6759:1501 0 0 0 0 0 0 0 13424 15810 14474 13677 14853 14231 13345 0 39546 40237 35242 64213 53883 47108 0 0 0 0 0 38341.3645833333 55068.2486979167 0 0 14259.1103515625 0 0 2706.57356129916 8613.64091575134 0 0 882.760733222008 1159 10.562 987.85754 w/o MS2:SM 12:0;2O/38:0 [M-H]- similar chromatogram in higher mz_1184 0.792 True 13.86 987.84747 C55H113N2O6P SM XFYUYPQIXDHMLA-UHFFFAOYSA-N O=C(NC(COP(=O)([O-])OCC[N+](C)(C)C)C(O)CCCCCCCCC)CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC 530 True True False False False null null 87.8 99.9 null null null 537.89 P. room temp 3 987.85754:47326 988.86089:54482 989.86425:19548 54.23961:26 149.05264:75 270.39993:24 284.26685:48 308.42438:31 339.24536:19 346.89346:35 354.38791:54 374.25772:79 374.2829:276 442.34354:15 450.79126:19 452.00858:22 529.46033:20 555.44489:6 585.57562:16 643.06152:41 748.60925:187 749.62201:38 941.77252:63 941.89899:15 942.69452:10 943.84064:7 964.75146:25 981.15576:5 981.63208:6 981.68622:15 982.07599:10 982.32507:12 982.8233:7 984.90424:31 985.77203:14 986.16193:34 986.62927:17 987.21545:21 987.57678:62 987.62909:134 987.85437:27694 988.14813:29 988.22028:67 988.29315:44 325262 310276 278046 0 0 0 0 124948 113890 112924 108487 113004 110577 103000 0 165354 180874 204391 188177 213432 157589 245835 159189 327098 0 0 183539.645833333 186399.192708333 244040.510416667 304527.760416667 112404.3515625 0 0 19654.3843537463 27963.9266235861 83968.8355532357 24127.1189615361 6674.77896438441 1160 6.294 995.5379 Unknown [M-H]- 0.167 False null null null null null null 999 False False False False False null null null null null null null 85.03 B. cold 1 995.5379:5373 996.54125:5249 997.54461:3465 3843 2300 2828 0 0 0 0 15956 14052 13545 15784 15184 16950 14383 0 27150 29417 22549 39982 26506 17324 4890 10437 2447 0 0 26372.0143229167 27937.25 5924.8505859375 2990.16446940104 15121.8000837054 0 0 3499.66661155678 11396.457875604 4094.07105475667 784.50391353842 1201.30189739287 1161 4.698 995.59546 DGDG 36:6|DGDG 18:3_18:3 [M+CH3COO]- adduct linked to 1050_[M-H]- 0.792 True 8.62 995.59491 C51H84O15 DGDG KDYAPQVYJXUQNY-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCCC=CCC=CCC=CCC)COC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O)CCCCCCCC=CCC=CCC=CCC 430 True True True False True null null 82.8 99.9 53.6 56.1 87.5 192.58 B. cold 2 995.59546:15895 996.59881:12992 997.60217:3657 112.92896:29 123.04584:69 149.04375:18 203.05698:26 233.21883:19 235.0927:42 243.21324:17 277.21643:277 277.2529:5 278.16476:58 278.9837:16 287.0748:37 291.22964:36 305.08319:25 319.22733:15 379.12421:72 380.11389:41 397.1351:242 398.1348:12 409.26373:25 601.31622:11 657.25397:71 657.34692:490 657.73212:33 658.10437:8 658.30713:13 658.34351:27 659.00879:21 675.35938:296 676.35492:36 687.7099:8 930.28796:7 930.5943:11 932.85144:17 934.25562:8 934.70984:24 935.25775:24 935.28741:12 935.34833:78 935.41193:47 935.46185:156 935.57147:7162 935.73486:43 935.81732:23 935.85114:19 935.93463:50 935.98029:23 936.06335:29 936.1474:23 936.18176:54 936.36737:21 936.45374:49 936.49561:46 936.57172:233 936.71814:30 936.78156:20 936.89136:14 936.98303:21 937.06714:19 937.12:42 937.15186:13 937.34216:21 937.48419:17 937.62781:23 937.95587:19 938.90497:22 939.05676:20 939.76636:8 989.0705:7 995.32043:27 995.362:22 995.45209:30 995.5354:123 995.59119:1052 995.69019:9 995.883:12 995.91772:16 996.01788:21 48055 57744 58157 0 0 0 0 80787 67999 66963 64350 66406 65714 62638 0 82369 92506 98172 85076 114808 108101 63326 60308 64335 0 0 91015.3854166667 102661.260416667 62656.2122395833 54652.06640625 67836.7979910714 0 0 8006.01784440904 15594.3829244857 2095.0063842142 5716.63901757333 5975.52078889705 1162 4.992 997.51373 Unknown [M-H]- 0.25 False null null null null null null 999 False False False False False null null null null null null null 75.65 QC-1 997.51373:5337 998.51708:4741 999.52044:2746 37756 37021 37553 0 0 0 0 39168 32191 33001 41076 41929 28444 31049 0 28100 26040 19941 20395 29599 30342 38454 35298 38787 0 0 24693.6100260417 26778.5533854167 37512.9908854167 37443.3515625 35265.6353236607 0 0 4242.87327487598 5541.0278991049 1925.5038392689 379.676467175097 5358.60599984 1163 5.89 997.51929 Unknown [M+Hac-H]- adduct linked to 1146_[M+FA-H]- 0.792 True null null null null null null 999 True False False False True null null null null null null null 496.03 B. room temp 2 997.51929:49747 998.52264:54842 999.526:30694 131.85313:25 195.06789:12 297.23514:21 318.87079:28 325.18314:37 327.22391:13 365.34027:9 407.17804:32 442.15494:28 457.18359:134 482.12448:18 485.17935:39 497.14856:20 511.16086:96 511.37881:33 516.15613:7 524.89948:17 526.14313:42 527.15802:147 527.6814:14 528.15826:36 541.20032:33 543.18787:40 555.20197:8 559.18719:48 583.14514:34 583.18176:218 587.17529:155 599.17944:315 599.5733:8 600.17419:45 601.04645:12 670.45068:28 671.45459:19 686.64325:27 776.65491:45 821.59338:18 850.57739:13 861.49585:56 863.49518:23 878.28845:32 878.36298:22 878.48138:1052 878.6189:20 878.71045:11 878.78497:7 878.83417:7 878.88538:13 878.98779:22 879.02881:38 879.18243:8 879.22345:15 879.3855:17 879.48828:155 879.7887:11 880.2381:17 880.30969:15 888.53033:25 893.51007:140 909.45862:83 909.49762:323 909.58405:20 909.65594:7 910.39667:7 910.50098:19 923.90637:28 931.81104:7 936.74329:48 936.84912:25 936.95831:11 937.20874:21 937.27228:25 937.33661:94 937.38574:191 937.49652:6713 937.63892:38 937.70624:54 937.7887:11 937.83191:31 937.92468:25 937.99268:25 938.03406:42 938.12952:51 938.17572:10 938.22461:38 938.35242:27 938.4964:402 938.58752:29 938.65857:30 938.69434:28 938.72211:11 938.7962:12 938.87012:14 938.95502:11 939.008:14 939.05029:18 939.25049:23 939.33624:29 940.44855:9 941.75513:7 942.21906:25 948.50861:6 953.53174:33 965.51935:17 969.51385:16 980.02161:37 981.51495:23 983.49292:15 990.83612:22 991.33655:13 991.67389:10 991.81134:5 995.065:17 995.60168:9 996.45703:14 996.71295:8 996.76416:24 996.81757:8 996.88232:35 997.12482:23 997.20013:58 997.26892:150 997.51782:23028 997.75385:63 997.82513:35 997.93567:16 997.97302:27 107427 92102 86584 0 0 0 0 165768 165726 161839 163643 166076 164114 176237 0 340281 397455 278269 140281 324016 289001 126559 168719 93277 0 0 338668.40625 251099.359375 129518.325520833 95370.9192708333 166200.580357143 0 0 59609.5634229247 97555.4291952302 37807.5711826752 10798.8811901627 4674.05754756628 1164 5.177 997.61078 DGDG 36:5|DGDG 18:2_18:3 [M+CH3COO]- adduct linked to 1054_[M-H]- 0.792 True 8.81 997.61047 C51H86O15 DGDG GKSHYDZIFVNLSS-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCCC=CCC=CCC=CCC)COC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O)CCCCCCCC=CCC=CCCCCC 420 True True True False True null null 82.3 99.9 43.1 53.7 90.9 203.37 QC-6 997.61053:10260 998.61388:7395 999.61724:2251 44.99731:42 61.98674:16 86.99947:13 89.0229:95 125.02309:47 161.04471:22 221.06419:15 235.08096:63 259.08109:37 277.21402:188 279.23077:224 305.08755:55 379.12161:214 397.13095:218 397.24396:6 541.12286:21 586.00629:15 586.16486:47 627.20807:42 656.0304:13 657.3443:176 657.74359:5 658.23602:6 658.34943:68 659.23627:31 659.35999:112 660.45233:15 675.30255:20 675.35645:19 675.79657:6 677.19196:16 677.36945:35 755.24603:16 933.73462:8 935.13983:19 937.29419:23 937.32709:24 937.37939:31 937.4422:71 937.48926:108 937.58228:3825 937.6972:16 937.75342:23 937.81964:23 937.88782:44 937.97778:23 938.06134:50 938.19476:37 938.24719:29 938.41498:11 938.45935:20 938.53839:29 938.58228:202 938.7558:28 938.80872:14 938.91461:35 939.04132:12 939.29211:11 939.35931:9 939.50763:22 939.58173:7 939.78302:7 939.87756:19 940.13263:11 965.3349:10 965.48517:39 995.10614:6 997.06897:11 997.27649:7 997.43604:102 997.50616:1092 997.60333:364 997.7146:22 997.85492:24 997.93127:11 997.96405:10 998.10596:13 99726 95206 91349 0 0 0 0 90846 80217 73784 77040 80131 81433 80407 0 54037 57210 64091 57385 76294 74583 98848 109375 98791 0 0 58445.9596354167 69420.34765625 102337.932291667 95427.0520833333 80551.1629464286 0 0 5139.53805078758 10458.3609345242 6094.44623915368 4192.79436293322 5247.26532609064 1165 7.074 999.48938 Unknown [M+Hac-H]- adduct linked to 1152_[M+FA-H]- 0.125 True null null null null null null 999 False False False False False null null null null null null null 203.08 P. room temp 2 999.48938:23544 1000.49273:22502 1001.49609:22269 35.45282:8 189.86134:14 242.20279:6 252.96791:43 255.23172:18 350.47385:20 455.12994:19 520.17468:43 531.14539:54 573.52197:10 574.0517:49 574.12622:9 589.14978:50 660.151:18 805.92853:28 939.39758:47 939.45105:55 993.01013:20 993.27118:6 993.67444:11 993.81604:23 993.89233:12 996.39941:39 998.71185:30 998.88782:19 999.07343:12 999.10779:37 999.17181:21 999.21619:51 999.28516:94 999.4895:15463 999.65344:159 999.72119:169 999.84595:77 999.89471:71 999.92792:52 24163 23604 0 0 0 0 0 10877 11421 11104 9842 9978 10290 9757 0 1371 617 2810 2184 2173 1632 13681 163541 0 0 0 1599.2367960612 1996.37064615885 59073.9225260417 15922.3736979167 10467.0936104911 0 0 1114.3702731751 315.490113689791 90729.5376255448 13792.0105852853 664.304768618309 1166 5.646 999.62585 w/o MS2:DGDG 14:0_22:4 [M+Hac-H]- adduct linked to 1057_[M-H]- 0.792 False 9.13 999.62622 C51H88O15 DGDG YQGNQZUFCKZTJF-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCCCC=CCC=CCC=CCC=CCC)COC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O)CCCCCCCCCCCCC 530 True True False False False null null 99.9 99.9 null null null 176.76 P. room temp 3 999.62585:11361 1000.6292:7697 1001.63256:1958 77877 79771 77939 0 0 0 0 73149 65700 64714 61627 65640 65238 67391 0 46504 50798 61811 51196 63877 63334 82737 83860 87843 0 0 53037.6822916667 59469.0911458333 84812.9375 78528.8619791667 66208.3443080357 0 0 7895.38816033364 7169.5786945889 2683.20199136268 1076.10812258231 3519.39377285405 1167 6.978 1001.54614 w/o MS2:DGDG 15:4_22:6 [M-H]- 0.125 False 7.84 1001.54791 C52H78O15 DGDG ZSMXPVPAWDIISN-UHFFFAOYSA-N O=C(OCC(OC(=O)CCC=CCC=CCC=CCC=CCC=CCC=CCC)COC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O)CC=CCC=CCC=CCC=CCC 530 True True False False False null null 98.4 100 null null null 60.97 P. cold 1 1001.54614:3062 1002.54949:2238 1003.55285:978 31698 26387 26804 0 0 0 0 12347 12084 11832 11365 11340 11825 10899 0 8419 9273 4718 4106 10514 11600 31861 25902 17636 0 0 7469.89420572917 8740.052734375 25132.734375 28296.1529947917 11670.3037109375 0 0 2421.60723726328 4049.75647528824 7143.55216312194 2953.03303111246 495.984947539546 1168 3.612 1001.56213 w/o MS2:PI 20:3_22:3;4O [M-H]- 0.042 False 7.46 1001.56079 C51H87O17P OxPI NSOXFESFSBZJLP-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCC(O)CCC(O)C(O)C=CCC=CCC=CCCCC(O)C)COP(=O)(O)OC1C(O)C(O)C(O)C(O)C1O)CCCCCCCCCC=CCC=CCC=CCC 530 True True False False False null null 99.1 99.9 null null null 67.79 B. cold 1 1001.56213:3615 1002.56548:2672 1003.56884:1025 4440 3311 3599 0 0 0 0 7185 3969 5729 126 3580 3907 4216 0 48764 66353 8918 28154 41022 44971 4199 6819 3201 0 0 41345.1852213542 38048.9296875 4739.68961588542 3783.46492513021 4101.77542550223 0 0 29427.1640285599 8793.94204215219 1868.81784723957 586.548980074617 2171.94280650251 1169 9.304 1001.83075 w/o MS2:SM 24:0;2O(FA 26:0) [M-H]- 0.042 False 13.76 1001.82672 C55H111N2O7P ASM RJCSNFBJAIZLMF-UHFFFAOYSA-N O=C(OC(CCCCCCCCC)C(NC(=O)CCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C)CCCCCCCCCCCCCCCCCCCCCCCCC 530 True True False False False null null 92.2 99.9 null null null 151.43 B. room temp 1 1001.83075:8160 1002.8341:6311 1003.83746:2150 19513 23216 22439 0 0 0 0 38945 32595 42375 27815 38334 28928 32234 0 92357 84775 66852 75753 83900 59110 23448 20721 23263 0 0 81328.0520833333 72921.0234375 22477.2389322917 21722.94921875 34460.8881138393 0 0 13097.1083471702 12635.4114178971 1523.51731741319 1952.87671915777 5491.82115857458 1170 9.534 1001.8324 w/o MS2:SM 24:0;2O(FA 26:0) [M-H]- 0.042 False 13.76 1001.82672 C55H111N2O7P ASM RJCSNFBJAIZLMF-UHFFFAOYSA-N O=C(OC(CCCCCCCCC)C(NC(=O)CCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C)CCCCCCCCCCCCCCCCCCCCCCCCC 530 True True False False False null null 85.1 99.9 null null null 166.47 B. room temp 1 1001.8324:8449 1002.83575:7814 1003.83911:47504 11968 6759 10515 0 0 0 0 30896 20107 26304 29779 30058 27730 27396 0 80819 72895 59927 70617 69152 52450 33275 12976 5952 0 0 71213.5807291667 64072.9895833333 17401.3471679688 9747.26171875 27467.1431361607 0 0 10546.9259952538 10092.2381020559 14188.896486439 2687.74309079004 3637.87730646527 1171 3.659 1002.56567 w/o MS2:PC 22:5_22:6;4O [M-H]- ion correlated with 1168 0.042 False 7.06 1002.57129 C52H82NO12P OxPC NVJHFIVIKAXDBR-UHFFFAOYSA-N O=C(OCC(OC(=O)CCC(O)C=CC(O)C=CC=CC=CC(O)CC=CCC=CC(O)C)COP(=O)([O-])OCC[N+](C)(C)C)CCCCCC=CCC=CCC=CCC=CCC=CCC 530 True True False False False null null 85.4 99.9 null null null 82.5 B. room temp 1 1002.56567:4413 1003.56902:1795 1004.57238:463 2115 1663 2283 0 0 0 0 2932 2725 3893 4915 3429 3460 2296 0 31713 37574 5857 14415 23628 29056 2530 3140 2832 0 0 25048.0143229167 22366.5061848958 2833.96313476563 2020.23323567708 3378.47659737723 0 0 16876.6028967675 7401.73123392819 305.272251044645 320.831319903717 859.549325022567 1172 10.352 1003.84766 w/o MS2:SM 50:0;3O [M-H]- adduct linked to 1156_[M-H2O-H]- 0.75 True 13.73 1003.84241 C55H113N2O7P SM IAEMHOULKFEVJI-UHFFFAOYSA-N O=C(NC(COP(=O)([O-])OCC[N+](C)(C)C)C(O)C(O)CCCCCCCC)CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC 530 True True False False False null null 96.6 99.9 null null null 100.7 B. room temp 3 1003.84766:9201 1004.85101:9828 1005.85437:2824 150.04997:57 150.07011:56 389.30557:288 390.30713:40 390.33545:25 422.55527:52 764.61591:24 943.79102:124 1000.76874:10 1003.16241:25 1003.43787:30 1003.49249:10 1003.5639:19 1003.65588:78 1003.67853:85 1003.74146:125 1003.84723:5211 1003.99695:62 1004.06177:17 1004.11652:14 1004.17145:39 1004.26288:31 1004.341:15 28292 28446 29237 0 0 0 0 25709 28019 24933 22854 24774 23789 21904 0 42647 51311 63121 54289 58537 44065 23275 13960 28471 0 0 52359.6341145833 52297.0143229167 21901.94140625 28658.3255208333 24568.6130022321 0 0 10276.8768269613 7438.6206069919 7352.43222847568 507.20091538126 2001.22971507505 1173 9.77 1003.84937 w/o MS2:SM 50:0;3O [M-H]- 0.583 True 13.73 1003.84241 C55H113N2O7P SM IAEMHOULKFEVJI-UHFFFAOYSA-N O=C(NC(COP(=O)([O-])OCC[N+](C)(C)C)C(O)C(O)CCCCCCCC)CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC 530 True True False False False null null 94.2 99.9 null null null 569.99 B. room temp 3 1003.84937:39400 1004.85272:36856 1005.85608:11742 151.07587:43 202.90105:28 218.12846:24 219.13498:28 231.14268:17 232.1357:29 247.13409:27 374.28232:216 375.28641:15 469.36432:27 662.52795:8 718.57001:19 718.90222:20 747.61633:21 764.60577:95 765.50726:13 765.61639:220 765.74298:5 766.6134:20 912.73175:30 986.10022:15 988.0625:15 997.02179:16 997.22687:6 997.27277:11 997.40369:10 997.76404:5 998.39703:7 1001.12878:6 1003.00983:26 1003.41479:26 1003.48047:45 1003.56238:89 1003.84711:18390 1004.02209:84 1004.08948:60 1004.1571:62 1004.18646:64 1004.2403:57 1004.29175:70 1004.34613:50 147465 139938 176723 0 0 0 0 292295 244250 274420 251338 272324 256288 266234 0 351909 456208 465089 478983 492683 266277 175573 144677 166451 0 0 424402.020833333 412647.520833333 162233.807291667 154708.755208333 265307.008928571 0 0 62937.316555346 126945.671916426 15874.0212995429 19432.6453074108 16234.7649295334 1174 9.553 1003.84955 w/o MS2:SM 50:0;3O [M-H]- 0.792 True 13.73 1003.84241 C55H113N2O7P SM IAEMHOULKFEVJI-UHFFFAOYSA-N O=C(NC(COP(=O)([O-])OCC[N+](C)(C)C)C(O)C(O)CCCCCCCC)CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC 530 True True False False False null null 93.9 99.9 null null null 529.89 B. room temp 1 1003.84955:40539 1004.8529:35578 1005.85626:11170 163.07811:42 166.05315:7 243.0591:25 247.16313:12 256.31406:10 345.55069:74 355.26224:40 374.24396:21 374.2818:123 374.31128:6 391.28568:29 573.33405:41 587.47699:27 587.50751:26 610.96564:10 637.32819:6 696.47839:35 722.28992:18 726.66125:38 739.3374:12 764.63641:52 765.00909:8 765.54553:21 765.61346:121 766.6347:8 799.65253:31 879.76099:17 943.77966:52 943.85443:17 965.99963:32 970.60614:22 985.83002:103 986.83838:22 997.19928:14 997.42297:11 997.56714:10 998.01782:16 998.57458:39 999.62311:7 1000.07306:29 1000.65033:14 1002.77197:25 1002.83765:21 1003.36298:22 1003.43964:23 1003.48883:15 1003.53333:44 1003.59186:60 1003.84851:17754 1004.00543:160 1004.06586:116 1004.15222:57 1004.25116:44 1004.32129:58 158766 168253 223751 0 0 0 0 169249 145988 156503 164675 149577 156198 158191 0 308053 305379 241595 266622 250471 230448 187636 169916 204622 0 0 285008.713541667 249180.125 187391.1875 183589.755208333 157197.283482143 0 0 37621.5178195272 18121.4621289688 17354.5880014606 35102.3067200774 8034.7530528267 1175 5.032 1007.59613 DGDG 38:7|DGDG 18:3_20:4 [M+FA-H]- adduct linked to 1103_[M-H]- 0.792 True null null null null null null 999 True False False False True null null null null null null null 179.76 P. cold 3 1007.59613:12096 1008.59948:10936 1009.60284:3121 86.00105:45 101.02551:66 143.03549:26 217.07335:22 235.08417:24 277.21558:136 283.26004:73 301.19128:31 303.23215:194 303.46243:11 303.4985:5 304.23157:33 341.1127:5 345.24127:21 379.12463:89 379.68518:19 397.13647:278 595.44183:25 657.27301:31 657.31036:29 657.3465:152 657.58307:5 657.83118:7 675.29852:42 675.36298:66 683.28674:15 683.32861:70 683.36047:283 684.35486:6 701.37708:112 701.58282:14 829.51776:23 904.2124:22 957.57397:11 961.33124:14 961.40576:34 961.50934:95 961.58746:3676 961.78082:39 961.90063:50 961.95172:28 962.01422:19 962.11084:33 962.15686:15 962.20154:9 962.38104:13 962.44537:28 962.54565:25 962.59021:184 962.74707:7 962.79913:19 962.93854:5 962.992:8 963.12109:6 963.24951:8 963.39966:38 963.88232:22 964.44025:9 964.8266:9 965.21307:12 975.5033:24 1001.38422:35 1002.56122:18 1007.26044:27 1007.33722:12 1007.43591:47 1007.48853:98 1007.59259:3209 1007.72107:20 1007.81982:20 1007.87982:24 1007.91852:15 78382 75264 81862 0 0 0 0 66568 62094 63709 58608 57710 59773 60915 0 38971 43272 52870 39162 50572 51766 82141 78910 82682 0 0 45037.5143229167 47166.4453125 81244.3776041667 78502.6796875 61339.7672991071 0 0 7116.07558151463 6957.59568444708 2039.97244498897 3300.44806248288 3076.48725316432 1176 2.433 1007.63928 w/o MS2:HBMP 22:6_12:0_19:5 [M-H]- 0.208 False 11.13 1007.63831 C59H93O11P HBMP QRMDDVOBAJDZFG-UHFFFAOYSA-N O=C(OCC(OC(=O)CCC=CCC=CCC=CCC=CCC=CCC)COP(=O)(O)OCC(OC(=O)CCCCCCCCCCC)CO)CCC=CCC=CCC=CCC=CCC=CCC=CCC 530 True True False False False null null 99.5 99.6 null null null 70.49 QC-4 1007.63928:3985 1008.64263:3710 1009.64599:1276 3677 5090 4261 0 0 0 0 26494 19579 21686 26302 21003 19216 22768 0 257 0 0 326 621 601 6132 6667 5986 0 0 85.5832214355469 516.097849527995 6261.42073567708 4342.65413411458 22435.4584263393 0 0 148.234487801785 165.244673439458 358.837503187118 710.124307246397 2963.02806283811 1177 5.49 1009.61084 w/o MS2:DGDG 15:0_22:6 [M+FA-H]- ion correlated with 1107; adduct linked to 1107_[M-H]- 0.542 False 8.92 1009.61047 C52H86O15 DGDG ARERPVMMYKLETI-UHFFFAOYSA-N O=C(OCC(OC(=O)CCC=CCC=CCC=CCC=CCC=CCC=CCC)COC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O)CCCCCCCCCCCCCC 530 True True False False False null null 99.9 99.9 null null null 171.18 P. cold 1 1009.61084:11800 1010.61419:9350 1011.61755:3091 89185 80413 79723 0 0 0 0 49624 45670 44130 45429 46372 45850 44077 0 5363 7510 9118 6229 10211 8870 76964 83126 81482 0 0 7330.6044921875 8436.73990885417 80523.7473958333 83107.0026041667 45878.8716517857 0 0 1883.91990944501 2026.39198123723 3190.8918816893 5275.08362185375 1862.98511223492 1178 2.603 1009.66241 w/o MS2:HBMP 20:4_18:2_15:4 [M-H]- 0.542 True 11.26 1009.65387 C59H95O11P HBMP LNBJZJUVYBVLMZ-UHFFFAOYSA-N O=C(OC(COC(=O)CCCCCCC=CCC=CCC=CCC=CCC)COP(=O)(O)OCC(OC(=O)CCCCCCCC=CCC=CCCCCC)CO)CC=CCC=CCC=CCC=CCC 530 True True False False False null null 71.9 99.6 null null null 93.89 P. cold 3 1009.66241:5270 1010.66576:5006 1011.66912:1485 141.63388:26 163.09586:44 189.07175:21 189.0909:285 207.10321:121 235.08777:5 253.07327:12 279.23221:186 279.82742:5 280.23337:13 303.21533:51 303.23477:82 303.40189:9 442.74634:6 443.19321:19 539.31677:28 633.29608:10 669.42023:17 696.26349:11 729.36987:150 729.42126:2377 729.56067:29 729.60492:9 729.67218:8 729.8476:25 729.90729:17 729.93164:7 730.01562:8 730.08099:8 730.13702:13 730.31982:17 730.42627:175 730.58368:11 730.612:14 731.18909:13 732.2674:49 750.97418:19 829.49274:14 1002.99805:14 1009.02802:30 1009.39917:10 1009.47144:23 1009.55286:36 1009.66193:966 1009.75049:17 1009.91095:16 1009.93719:9 1010.01404:27 1010.047:18 26012 25574 34373 0 0 0 0 35618 36530 32871 33702 35144 36247 33815 0 871 1413 685 1987 3633 3513 34179 28131 32929 0 0 989.530008951823 3044.36499023438 31746.1328125 28653.1588541667 34846.6780133929 0 0 378.300994057621 917.322321071469 3192.71913962086 4958.02078597882 1399.72614915281 1179 5.039 1011.49719 w/o MS2:PI 20:4_22:5;4O [M-H]- 0.667 True 6.74 1011.50879 C51H81O18P OxPI SAHDNSRASKSJRF-UHFFFAOYSA-N O=C(OCC(OC(=O)CC(O)CC(O)C(O)C=CCC=CCC=CCC=CCC=CC(O)CO)COP(=O)(O)OC1C(O)C(O)C(O)C(O)C1O)CCCCCCC=CCC=CCC=CCC=CCC 530 True True False False False null null 84.8 100 null null null 127.55 QC-5 1011.49719:8178 1012.50054:10769 1013.5039:5482 61.98901:43 86.08429:42 132.82581:13 186.05717:41 398.14899:32 459.34113:30 461.37323:8 541.13153:38 544.38385:16 546.42529:31 559.44196:70 573.4718:17 574.45697:42 583.14441:53 600.15302:70 601.17145:31 658.35614:10 663.39728:43 672.17633:57 673.17108:36 684.2345:21 726.52771:26 817.93042:14 863.11664:18 877.49994:7 936.41998:32 942.60828:82 950.39001:13 951.43048:32 951.47485:375 951.54065:13 952.32471:7 952.43634:30 952.47168:20 961.52692:48 964.59851:14 965.59448:32 967.60712:22 971.59894:43 979.59467:30 979.9317:28 993.59735:25 994.5564:19 999.37848:32 1000.52582:10 1008.56439:18 1010.71637:26 1011.19983:17 1011.24359:40 1011.35901:119 1011.49597:6392 1011.66327:86 1011.78534:18 1011.84821:36 1011.9032:22 1011.99109:29 27011 23638 19318 0 0 0 0 54269 52681 51393 51497 54143 52926 54163 0 41439 29928 37186 32955 47129 50798 20995 15356 12310 0 0 36184.064453125 43627.3997395833 16220.1201171875 23322.013671875 53010.4670758929 0 0 5820.23363593441 9422.54621648131 4406.93523016035 3856.26882012571 1239.70867695534 1180 6.42 1011.52808 w/o MS2:DLCL 21:3_22:6 [M-H]- 0.292 True 7.93 1011.53693 C52H86O15P2 DLCL MBAQETRVAMSPJH-UHFFFAOYSA-N O=C(OCC(O)COP(=O)(O)OCC(O)COP(=O)(O)OCC(O)COC(=O)CCCCCCCC=CCC=CCC=CCCCCC)CCC=CCC=CCC=CCC=CCC=CCC=CCC 530 True True False False False null null 90.9 100 null null null 69.35 P. room temp 2 1011.52808:4471 1012.53143:3410 1013.53479:1815 158.28255:11 511.74945:25 526.10657:29 599.17346:74 619.14282:7 878.47778:37 951.39911:14 989.85919:36 1005.03906:16 1007.96057:8 1011.28186:55 1011.35242:31 1011.41992:95 1011.52686:2153 1012.00995:13 24757 22779 21019 0 0 0 0 33711 32019 32290 15877 16111 35781 33630 0 17964 21874 15528 2437 18460 17405 29439 41925 23866 0 0 18455.4694010417 12767.1262207031 31743.5149739583 22851.4934895833 28488.4884207589 0 0 3200.95119115336 8961.43152443775 9247.26172309764 1869.83922442291 8622.21422814289 1181 5.585 1013.54993 Unknown [M-H]- 0.792 True null null null null null null 999 True False False False True null null null null null null null 305.98 B. cold 3 1013.54993:24617 1014.55328:18780 1015.55664:10960 37.93064:11 44.99693:63 47.42857:14 344.57355:33 491.68408:15 497.13916:30 541.13202:35 570.60406:10 571.07465:25 571.18469:79 583.15808:8 599.15674:40 602.19421:17 603.20691:161 625.16241:24 625.19543:10 657.22961:67 657.92773:6 881.28107:37 889.91644:6 904.09698:11 921.49347:12 931.55469:21 935.50323:25 953.42841:35 953.52332:307 953.70428:39 953.77515:18 954.4422:14 954.53827:29 955.96423:7 956.03351:18 967.63934:8 969.51178:14 981.52972:32 1007.32666:7 1007.44543:16 1007.95001:16 1010.62854:20 1011.21436:11 1012.58478:30 1012.72839:7 1012.9917:8 1013.24207:69 1013.29938:79 1013.36902:128 1013.54901:10680 1013.68658:216 1013.78369:84 1013.84247:42 1013.92322:24 1013.97699:45 231919 231989 273813 0 0 0 0 229123 220719 218454 207382 206919 204348 210900 0 308238 362750 161559 138459 325883 373731 258010 268034 233093 0 0 277515.442708333 279357.796875 253045.546875 245906.932291667 213977.948660714 0 0 104054.750042043 124344.880765289 17991.8239227336 24167.5783534026 9040.56515656374 1182 6.155 1013.68512 w/o MS2:HBMP 22:6_12:0_19:2 [M-H]- 0.083 False 12.55 1013.68518 C59H99O11P HBMP ZKMAXICVNCJRDA-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCCC=CCC=CCCCCCC)COP(=O)(O)OCC(OC(=O)CCCCCCCCCCC)CO)CCC=CCC=CCC=CCC=CCC=CCC=CCC 530 True True False False False null null 100 99.8 null null null 84.51 B. cold 1 1013.68512:4454 1014.68847:4035 1015.69183:1423 0 0 0 0 0 0 0 6660 7563 5334 6441 7811 6055 5637 0 21446 18966 11814 39111 35390 29602 0 0 0 0 0 17408.5924479167 34700.861328125 0 0 6500.12513950893 0 0 5001.40317044157 4791.8128260201 0 0 929.11504064917 1183 2.332 1013.73157 w/o MS2:SM 30:2;2O(FA 22:6) [M-H]- 0.042 False 12.02 1013.73279 C57H99N2O7P ASM CDJUVESUMCXKLE-UHFFFAOYSA-N O=C(OC(C=CCCCCCCC)C(NC(=O)CCCCCCCC=CCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C)CCC=CCC=CCC=CCC=CCC=CCC=CCC 530 True True False False False null null 99.3 99.5 null null null 61.52 IS 2 1013.73157:3076 1014.73492:2054 1015.73828:667 10173 9790 10271 0 0 13687 21266 7148 7710 7322 7376 6961 6834 8520 0 8935 8847 8674 8724 13170 6264 10683 6838 10017 0 17476.3818359375 8818.4208984375 9385.90234375 9179.22395833333 10078.0094401042 7410.38218470982 0 5359.36254946298 132.936329705988 3500.05228966331 2054.30967593837 254.275243757526 567.547209158316 1184 10.557 1013.86871 w/o MS2:SM 14:1;2O/38:0 [M-H]- 0.208 False 13.85 1013.8631 C57H115N2O6P SM BRIOPIVMTISELM-UHFFFAOYSA-N O=C(NC(COP(=O)([O-])OCC[N+](C)(C)C)C(O)C=CCCCCCCCCC)CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC 530 True True False False False null null 85.4 99.9 null null null 136.83 P. cold 1 1013.86871:8398 1014.87206:9548 1015.87542:2960 58027 54649 45879 0 0 0 0 12839 12589 13056 11777 11856 11972 11089 0 7905 8664 11831 10632 11937 8314 31877 21904 46091 0 0 9466.5615234375 10294.2591145833 33290.6354166667 52851.4557291667 12168.2769252232 0 0 2082.38475985386 1834.67731437067 12154.9823616663 6270.58001268263 691.416468888705 1185 6.813 1015.47485 Unknown [M-H]- similar chromatogram in higher mz_1193 0.042 False null null null null null null 999 False False False False False null null null null null null null 67.6 B. room temp 2 1015.47485:3380 1016.4782:2948 1017.48156:2365 255 0 328 0 0 0 0 6632 6987 6320 6200 7139 7533 6391 0 7046 30781 16845 10492 3534 8376 1787 2091 1640 0 0 18224.1236979167 7467.21223958333 1839.20662434896 194.195419311523 6743.28641183036 0 0 11927.4400685232 3566.64596939612 230.097231729183 172.125892766623 491.554079844815 1186 8.669 1019.84277 Unknown [M-H]- 0.208 False null null null null null null 999 False False False False False null null null null null null null 89.8 B. room temp 2 1019.84277:5122 1020.84612:4669 1021.84948:1377 28568 34902 22980 0 0 0 0 20858 23398 28848 32837 26332 40147 20436 0 56219 84384 37017 49363 53258 46311 27319 26605 26198 0 0 59206.8671875 49643.9856770833 26707.310546875 28816.728515625 27550.9913504464 0 0 23824.3991436859 3481.84454112679 567.83680577845 5965.30162452123 7099.78437642351 1187 9.412 1019.84308 Unknown [M-H]- 0.792 True null null null null null null 999 False False False False False null null null null null null null 103.35 P. room temp 1 1019.84375:9843 1020.8471:8345 1021.85046:2659 127.00207:9 127.03463:47 149.06084:43 150.05388:39 150.06721:14 151.07571:33 255.23184:43 282.17038:29 283.16672:24 340.23859:28 356.39789:8 389.3045:79 390.24683:28 390.28345:26 696.53705:23 725.20605:36 763.60077:78 765.65619:9 767.39685:13 781.58124:19 781.62726:27 959.5094:11 989.83276:18 990.83289:9 1001.66327:44 1001.72931:58 1001.83093:784 1001.99139:11 1002.22308:17 1002.74585:20 1002.8429:48 1004.81195:16 1019.39313:23 1019.59601:37 1019.71338:92 1019.84241:3029 1019.98126:22 1020.13123:27 1020.20294:13 1020.23242:14 1020.29675:12 76774 74170 92449 0 0 0 0 53510 51272 49639 49124 51327 46494 45661 0 49425 60105 55974 71976 67627 66204 90509 57261 67623 0 0 55168.1263020833 68602.5390625 71797.6588541667 81130.8098958333 49575.2466517857 0 0 5385.69475839884 3007.34435767378 17012.598695372 9887.58023904438 2782.36341466236 1188 5.032 1021.60596 DGDG 38:7|DGDG 18:3_20:4 [M+CH3COO]- adduct linked to 1103_[M-H]- 0.792 True 8.75 1021.61047 C53H86O15 DGDG QMVMVHMXTUNKSF-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCC=CCC=CCC=CCC=CCC)COC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O)CCCCCCCC=CCC=CCC=CCC 430 True True True False True null null 80.9 99.9 47.6 50.2 100 441.31 P. room temp 1 1021.60596:28514 1022.60931:25750 1023.61267:7395 71.01404:20 89.02399:66 119.03202:21 125.02345:22 143.03229:70 161.04121:31 179.02185:10 179.05731:29 181.04788:51 277.21512:304 301.55997:15 303.19791:81 303.23242:651 303.35617:6 303.7023:11 318.88776:6 341.11172:32 366.30295:37 379.12186:241 379.44034:7 379.4942:10 397.08044:14 397.13434:303 397.74136:10 398.13464:20 415.11383:29 415.14261:85 462.38184:7 507.27469:10 594.0412:25 657.27405:61 657.34564:415 657.54578:7 658.17499:13 658.3385:37 659.35522:73 675.22662:53 675.29657:14 675.35876:194 676.36554:12 681.34424:36 682.20209:20 683.2973:33 683.36139:534 683.82684:14 684.34698:29 684.46857:15 701.24933:18 701.37311:181 701.91223:15 789.48236:43 795.74731:32 798.0672:33 805.97559:5 955.02808:17 956.19818:6 957.57153:30 958.98322:9 959.87152:7 960.59894:19 961.14594:27 961.26379:46 961.37915:66 961.48175:396 961.5874:14897 961.69458:131 961.74109:83 961.8327:51 961.86761:39 961.94135:63 962.02051:49 962.07812:45 962.17456:53 962.23822:32 962.29352:39 962.39435:29 962.44257:38 962.50635:74 962.58954:576 962.65662:45 962.70233:40 962.7749:41 962.80713:47 962.9162:15 963.02148:26 963.1073:32 963.18597:20 963.25745:22 963.33026:13 963.354:33 963.41833:28 963.48358:19 963.76025:14 963.82245:24 963.89032:11 963.99762:10 964.03796:14 964.20142:18 964.4375:9 964.60919:20 964.67358:18 964.9585:6 971.56525:9 974.68884:12 983.44348:15 987.52759:27 1004.5835:13 1009.62012:31 1015.05853:16 1021.04736:5 1021.23322:23 1021.36572:20 1021.41626:28 1021.49811:72 1021.60602:1401 1021.69708:27 1021.81873:9 1021.92871:6 1022.0174:40 1022.07263:41 195661 196342 198434 0 0 0 0 169121 153025 140299 146730 149216 145834 145858 0 105477 123138 132983 116099 149508 144185 201212 205566 201072 0 0 120532.8125 136597.411458333 202616.807291667 196812.213541667 150011.912946429 0 0 13936.7199001047 17950.5000996755 2555.28931540695 1444.80648780062 9261.95521206234 1189 5.49 1023.62695 DGDG 38:6|DGDG 18:2_20:4 [M+CH3COO]- adduct linked to 1107_[M-H]- 0.542 True 8.96 1023.62622 C53H88O15 DGDG DYXREZAGEABATJ-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCC=CCC=CCC=CCC=CCC)COC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O)CCCCCCCC=CCC=CCCCCC 430 True True True False True null null 84.6 99.9 48.9 49.1 100 462.96 P. cold 1 1023.62695:32606 1024.6303:27090 1025.63366:8296 59.01391:52 89.02329:31 125.02398:41 143.03511:66 151.04185:23 161.04594:73 179.05925:27 279.23279:291 279.33649:18 285.22357:14 303.18484:20 303.23315:577 303.2742:7 304.23328:26 323.08752:15 379.12411:239 397.10214:44 397.1347:328 397.50851:28 415.14365:59 539.32513:26 575.46021:50 623.34155:19 659.36487:361 660.3869:36 677.32062:11 677.37427:125 677.47314:10 677.53607:12 678.36383:29 683.19629:37 683.36151:507 684.37079:34 685.17383:16 685.48322:14 701.37103:147 702.37714:63 703.38483:21 717.59167:10 843.49579:13 947.74048:46 957.74457:9 958.07709:7 958.24811:10 960.53796:6 961.53418:21 963.27484:30 963.34619:55 963.40851:35 963.46741:219 963.60461:14528 963.78766:105 963.8877:73 963.92505:39 964.01251:57 964.07526:30 964.12885:47 964.21979:36 964.27106:33 964.31427:25 964.35419:31 964.41486:38 964.6087:784 964.6958:45 964.75201:50 964.82758:30 964.92249:50 965.01874:23 965.06189:22 965.10272:29 965.21729:22 965.42584:11 965.48712:14 965.64227:22 965.68579:20 965.82483:27 965.8678:17 965.95374:19 966.06451:19 966.41559:14 966.46533:13 966.5448:6 968.17804:14 968.72333:9 975.43829:17 983.48962:19 1023.26758:20 1023.32404:15 1023.44592:12 1023.53473:102 1023.6239:1598 1023.73969:17 1023.86963:5 1023.94312:13 1024.03162:14 232444 233427 223245 0 0 0 0 137664 117013 116741 114001 113846 118970 120871 0 14134 17368 18975 17115 20677 21924 216425 219350 228354 0 0 16825.6416015625 19904.978515625 221375.984375 229705.270833333 119872.170758929 0 0 2465.36449429999 2495.69498198015 6217.3853884574 5616.53304733098 8237.14574569715 1190 7.614 1025.58459 Unknown [M-H]- 0.042 False null null null null null null 999 False False False False False null null null null null null null 83.53 B. room temp 2 1025.58459:4176 1026.58794:3786 1027.5913:2506 7501 8235 8574 0 0 0 0 10527 11258 10927 10785 10817 9109 11407 0 20858 28100 12219 7233 21597 21569 11510 18322 11922 0 0 20392.3499348958 16799.4340820313 13917.7750651042 8102.95458984375 10689.7952008929 0 0 7950.81454112743 8285.14102317584 3819.51502790469 548.493396356111 757.687614457212 1191 9.544 1029.86279 w/o MS2:SM 24:0;2O(FA 28:0) [M-H]- 0.042 False 13.95 1029.85803 C57H115N2O7P ASM FBDVRIYDLFJEGR-UHFFFAOYSA-N O=C(OC(CCCCCCCCC)C(NC(=O)CCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C)CCCCCCCCCCCCCCCCCCCCCCCCCCC 530 True True False False False null null 89.3 99.9 null null null 92.57 P. cold 3 1029.86279:4670 1030.86614:4368 1031.8695:1266 29840 24221 37529 0 0 0 0 18281 12193 15913 14417 17582 14847 15154 0 19437 11932 15482 17824 17182 13403 31652 25755 27572 0 0 15617.1487630208 16136.1243489583 28326.5358072917 30529.9915364583 15483.9637276786 0 0 3754.25268008061 2388.85823956173 3019.63337681555 6680.54616287893 2036.80826049449 1192 7.354 1033.55164 Unknown [M-H]- ion correlated with 1221 0.792 True null null null null null null 999 False False False False False null null null null null null null 97.82 P. cold 1 1033.552:5167 1034.55535:4487 1035.55871:2011 141.01666:71 613.23303:8 677.21655:37 891.52271:114 892.4718:13 940.51318:20 946.91492:9 951.354:15 951.41797:71 951.53973:454 951.59918:26 952.0116:14 952.4201:46 952.50531:13 952.53772:38 953.1134:20 953.77417:12 954.52203:31 973.52222:140 974.41724:29 974.53729:25 1028.25269:19 1033.15588:12 1033.28955:28 1033.37805:37 1033.45483:137 1033.54285:1850 1033.64355:13 1033.80029:18 1033.94458:15 61965 59571 59889 0 0 0 0 60911 54870 55872 58241 56872 59981 59554 0 46239 49428 46451 48093 55847 54480 58419 60066 58364 0 0 47372.5690104167 52806.9283854167 58949.8541666667 60474.9557291667 58042.9670758929 0 0 1783.19770627571 4139.01244529579 967.114187466043 1299.81227362276 2253.0337820012 1193 6.808 1039.5575 Unknown [M-H]- similar chromatogram in higher mz_1289 0.792 False null null null null null null 999 False False False False False null null null null null null null 182.2 B. room temp 2 1039.5575:18774 1040.56085:21753 1041.56421:10189 32031 29788 31682 0 0 0 0 61501 60977 56650 59445 57447 59436 61440 0 104311 131784 74273 53948 110878 98156 44305 63849 36145 0 0 103455.830729167 87660.7799479167 48099.6640625 31167.1634114583 59556.7494419643 0 0 28764.9532285237 29880.70341032 14236.8674203061 1206.87337123946 1926.56506581188 1194 6.076 1041.57825 w/o MS2:DGDG 18:5_22:6 [M-H]- 0.583 False 8.43 1041.57922 C55H82O15 DGDG IYOSIYILSJUDHW-UHFFFAOYSA-N O=C(OCC(OC(=O)CCC=CCC=CCC=CCC=CCC=CCC=CCC)COC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O)CC=CCC=CCC=CCC=CCC=CCC 530 True True False False False null null 99.5 100 null null null 72.94 QC-2 1041.57825:4022 1042.5816:3365 1043.58496:3100 49406 47926 45071 0 0 0 0 58503 57400 55145 53100 55234 54431 54679 0 41141 42620 33043 23038 47369 50254 43867 35598 30706 0 0 38934.546875 40220.2805989583 36723.5455729167 47467.9674479167 55498.8186383929 0 0 5155.59200471514 14950.1105833992 6652.29801633292 2203.47251653472 1844.01979024237 1196 6.708 1046.72131 w/o MS2:PC 24:0_22:3;4O [M-H]- 0.208 False 9.61 1046.72778 C54H102NO12P OxPC NIYSSBWBTCJKQV-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCC(O)CCC(O)C(O)C=CCC=CCC=CCCCC(O)C)COP(=O)([O-])OCC[N+](C)(C)C)CCCCCCCCCCCCCCCCCCCCCCC 530 True True False False False null null 81.1 100 null null null 130.73 B. cold 2 1046.72131:8892 1047.72466:7838 1048.72802:2796 5092 4642 5527 0 0 0 0 16629 19189 17113 15688 17076 16770 16214 0 34804 44649 32940 50067 65067 48942 4562 4161 5748 0 0 37464.2708333333 54692.1328125 4823.79524739583 5086.951171875 16954.2265625 0 0 6291.19873015353 9002.55692911536 825.090735676908 442.711824578495 1105.12575786314 1197 5.384 1047.62537 w/o MS2:DGDG 18:2_22:6 [M+Hac-H]- adduct linked to 1157_[M-H]- 0.542 False 9.18 1047.62622 C55H88O15 DGDG ZPXYEZUUGCDZSC-UHFFFAOYSA-N O=C(OCC(OC(=O)CCC=CCC=CCC=CCC=CCC=CCC=CCC)COC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O)CCCCCCCC=CCC=CCCCCC 530 True True False False False null null 99.6 99.9 null null null 96.84 P. room temp 3 1047.62537:6878 1048.62872:5856 1049.63208:1588 42795 43748 44002 0 0 0 0 31551 24489 24144 24721 24873 26362 25347 0 10583 14433 14685 8685 12897 12730 46013 47556 48831 0 0 13233.4456380208 11437.4365234375 47466.8203125 43514.8684895833 25926.7075892857 0 0 2299.07382412683 2385.28755733623 1410.91205263359 636.296402945456 2580.95494828181 1198 6.995 1048.73706 w/o MS2:RIKEN N-VS1 ID-8584 from Mouse_Kidney_WT_N_F1DHA [M-H]- 0.542 False 12.92 1048.74243 Unknown 530 True True False False False null null 86.6 99.8 null null null 137.48 B. cold 2 1048.73706:12760 1049.74041:10688 1050.74377:3091 13463 14184 14026 0 0 0 0 29818 31693 29140 30682 32290 31926 31410 0 80210 86004 59696 78430 96667 74819 14512 13345 14938 0 0 75303.6002604167 83305.4088541667 14265.1331380208 13890.9189453125 30994.1866629464 0 0 13823.4794941108 11711.4727027296 824.530403638652 378.779848561788 1163.83066692055 1199 7.329 1051.50439 Unknown [M-H]- 0.125 True null null null null null null 999 False False False False False null null null null null null null 134.37 P. cold 3 1051.5033:6711 1052.50665:7796 1053.51001:4222 88.9888:39 99.91724:41 100.93372:563 101.21495:6 156.98048:58 158.93951:74 158.97491:3103 159.00095:39 159.09203:14 159.70714:5 159.97435:58 355.75366:15 365.95392:32 696.15552:42 697.15491:95 698.16113:51 893.54333:17 953.505:23 953.5473:93 954.54028:28 967.5752:21 975.45001:22 976.4754:20 991.50385:36 993.35638:21 993.41431:40 993.46649:104 1046.18872:25 1050.54089:8 1051.5094:1015 1051.59119:66 1051.76196:11 1051.80676:26 79977 74247 75781 0 0 0 0 75321 75467 73747 70884 71816 67658 69087 0 54672 30737 52382 55330 58339 61259 76104 80967 77058 0 0 45930.3548177083 58309.3645833333 78043.015625 76668.1822916667 71997.1852678571 0 0 13207.3044361538 2964.88797359335 2576.76459144109 2965.89454802275 3019.89190557754 1200 9.112 1051.80273 Unknown [M-H]- 0.042 False null null null null null null 999 False False False False False null null null null null null null 61.52 B. room temp 1 1051.80273:3076 1052.80608:2794 1053.80944:943 1972 1555 2761 0 0 0 0 2815 3258 3161 3274 3076 3145 3216 0 21436 17794 9104 16887 16859 12307 6562 4204 4707 0 0 16111.5849609375 15351.0979817708 5157.58251953125 2096.16569010417 3135.18861607143 0 0 6335.7547726855 2636.48118265382 1242.22479989456 612.834212109863 156.780395509023 1201 1.652 1055.521 Unknown [M-H]- 0.042 False null null null null null null 999 False False False False False null null null null null null null 74.58 B. cold 2 1055.521:3729 1056.52435:4067 1057.52771:2359 0 484 0 0 0 0 0 7981 8170 8043 7114 7307 6789 6756 0 6550 12165 7671 9590 24533 13709 0 0 476 0 0 8795.27294921875 15943.8170572917 158.669026692708 161.237487792969 7451.26206752232 0 0 2971.86966779241 7718.19079230186 274.822815819273 279.271520942189 606.032871748828 1202 6.044 1057.6283 w/o MS2:PI 24:0_22:6;4O [M-H]- ion correlated with 1080 0.042 False 7.96 1057.62341 C55H95O17P OxPI SBVHJJFNCIHYKB-UHFFFAOYSA-N O=C(OCC(OC(=O)CCC(O)C=CC(O)C=CC=CC=CC(O)CC=CCC=CC(O)C)COP(=O)(O)OC1C(O)C(O)C(O)C(O)C1O)CCCCCCCCCCCCCCCCCCCCCCC 530 True True False False False null null 88.8 100 null null null 63.69 P. room temp 2 1057.6283:3185 1058.63165:1925 1059.63501:786 26748 26875 23244 0 0 0 0 20588 20405 17505 18652 19822 22052 20291 0 3992 4401 5175 4910 5670 5944 24434 29539 27063 0 0 4522.44759114583 5508.01481119792 27012.0397135417 25622.24609375 19902.1071428571 0 0 600.801406815349 535.822058104924 2553.08781045885 2060.171659944 1461.33265427316 1203 6.44 1065.47961 Unknown [M-H]- 0.542 True null null null null null null 999 False False False False False null null null null null null null 83.94 QC-1 1065.48132:4852 1066.48467:4008 1067.48803:2453 114.93112:50 158.97388:271 435.76553:52 710.12433:24 711.12646:40 711.89734:14 743.13055:42 931.4834:15 967.52106:65 989.43066:23 1005.47729:23 1007.3299:35 1007.39001:32 1007.43164:92 1019.47375:10 1064.84998:45 1065.15381:32 1065.23279:33 1065.27783:40 1065.37158:115 1065.4292:185 1065.48108:1960 1065.66138:26 1065.77344:6 1065.80798:5 1065.89832:14 23469 21681 21493 345 0 0 0 34300 32393 33083 17886 35159 33300 34275 0 2323 825 17329 14728 12242 11517 21361 22830 22162 115.06874593099 0 6825.40120442708 12829.1184895833 22117.4283854167 22214.3385416667 31485.0708705357 199.304914315708 0 9126.92090616597 1684.21012167849 735.475181034634 1091.02407825787 6066.61207111767 1204 7.497 1065.72473 Unknown [M-H]- 0.167 False null null null null null null 999 False False False False False null null null null null null null 76.07 B. cold 2 1065.72473:4521 1066.72808:4233 1067.73144:1321 258 373 0 0 0 0 0 10263 11176 10004 10457 9978 9526 9566 0 21577 23522 20848 26898 33722 28401 344 278 454 0 0 21982.220703125 29673.6953125 358.983174641927 210.416493733724 10138.8130580357 0 0 1382.5525125957 3585.92700765886 88.9328050838264 190.985917490217 568.704413523869 1205 7.79 1067.74121 Unknown [M-H]- 0.25 False null null null null null null 999 False False False False False null null null null null null null 118.43 B. cold 2 1067.74121:7518 1068.74456:7344 1069.74792:2246 1045 1173 841 0 0 0 0 15030 15111 15570 13395 13119 13737 15180 0 37688 38949 32608 39557 50734 42509 2412 1877 2189 0 0 36414.9016927083 44266.5325520833 2159.39542643229 1019.64178466797 14448.8899274554 0 0 3356.76666950115 5792.05757174849 268.677225280309 167.449929927446 996.169809699632 1206 8.073 1069.75464 Unknown [M-H]- 0.167 False null null null null null null 999 False False False False False null null null null null null null 82.55 B. cold 2 1069.75464:4767 1070.75799:4174 1071.76135:1514 1475 1293 1154 0 0 0 0 8891 12032 11421 11298 12274 12497 13342 0 23265 24395 19237 25799 36695 30821 2392 2608 2142 0 0 22299.1145833333 31104.9524739583 2380.67073567708 1307.51700846354 11679.2264229911 0 0 2711.01806606557 5453.65759283145 233.07104291861 160.898444988639 1408.20133517837 1207 6.636 1070.7207 Unknown [M-H]- 0.25 False null null null null null null 999 False False False False False null null null null null null null 114.69 B. cold 2 1070.7207:6442 1071.72405:6303 1072.72741:2214 1628 1730 2130 0 0 0 0 14352 14811 14532 14808 14692 15311 14243 0 41620 43483 34832 39134 45806 36584 2107 1375 1796 0 0 39978.26171875 40507.74609375 1759.47029622396 1829.58646647135 14678.4249441964 0 0 4553.39081927064 4762.03219215025 367.643531760291 265.196891260226 354.097400370037 1208 6.921 1072.73828 w/o MS2:SHexCer 56:8;2O [M-H]- 0.583 True 13.05 1072.74915 C62H107NO11S SHexCer BEBBJQUJWMSKRQ-UHFFFAOYSA-N O=C(NC(COC1OC(CO)C(O)C(OS(=O)(=O)O)C1O)C(O)C=CCCC=CCCCCCCCCCCCCCCCCCCC)CCCCCCCCC=CCC=CCC=CCC=CCC=CCC=CCC 530 True True False False False null null 72.6 99.8 null null null 542.01 B. room temp 2 1072.73828:46286 1073.74163:48486 1074.74499:15137 303.1615:60 303.2319:534 347.13159:27 439.19034:30 768.49921:20 786.40985:48 786.50671:14 905.6579:7 994.73181:28 1052.47461:10 1065.39465:23 1065.76965:12 1065.83826:10 1066.45874:26 1066.65979:17 1066.7522:7 1067.07947:13 1071.47485:24 1071.96106:21 1072.02917:42 1072.1084:6 1072.16492:7 1072.22156:8 1072.31201:19 1072.42456:83 1072.46716:59 1072.5105:135 1072.73633:25053 1073.01855:22 1073.06909:19 1073.19958:47 18857 18756 19588 0 0 0 0 119158 117465 121100 114265 117276 117646 122531 0 321560 320334 257773 268784 310477 261057 17579 18130 21065 0 0 299889.125 280105.994791667 18924.4368489583 19066.7845052083 118491.472098214 0 0 36478.4834448277 26584.4961988848 1873.90589962706 454.177168841711 2728.44245826521 1209 8.649 1073.78528 w/o MS2:HBMP 22:6_13:0_22:0 [M-H]- ion correlated with 1217 0.208 False 13.45 1073.77905 C63H111O11P HBMP OPDMDBRMXJLOOS-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCCCCCCCCCCCCCCCC)COP(=O)(O)OCC(OC(=O)CCCCCCCCCCCC)CO)CCC=CCC=CCC=CCC=CCC=CCC=CCC 530 True True False False False null null 82.4 99.9 null null null 76.48 B. room temp 2 1073.78528:4484 1074.78863:3603 1075.79199:1278 1734 2072 1868 0 0 0 0 9683 9281 9318 9721 10784 9013 10332 0 28481 35634 20252 27112 31025 27427 2672 3075 2706 0 0 28122.3834635417 28521.3717447917 2817.56551106771 1891.1728515625 9733.19294084821 0 0 7697.11385408209 2173.92800697815 223.224156939895 169.979874014907 627.237393262243 1210 8.002 1093.75525 Unknown [M-H]- ion correlated with 730 0.042 False null null null null null null 999 False False False False False null null null null null null null 75.27 B. cold 2 1093.75525:3763 1094.7586:3211 1095.76196:1415 0 0 0 0 0 0 0 8535 8071 7289 7684 7914 7901 8281 0 18941 21560 16025 18999 26903 23845 284 0 0 0 0 18841.73046875 23248.91015625 94.750233968099 0 7953.35470145089 0 0 2768.77799699255 3985.92133224241 164.112219261786 0 403.877333964386 1211 8.561 1097.78687 Unknown [M-H]- 0.208 False null null null null null null 999 False False False False False null null null null null null null 96.1 B. room temp 2 1097.78687:5902 1098.79022:5323 1099.79358:1585 1261 641 934 0 0 0 0 16880 10383 13489 14663 16419 14323 14631 0 37993 46926 30328 31790 44386 40541 3018 2945 3189 0 0 38415.9225260417 38905.775390625 3050.40958658854 945.493998209635 14398.2649274554 0 0 8307.18626840407 6455.14354820495 125.266390116479 310.173324184381 2133.90978953556 1212 2.197 1113.59009 w/o MS2:GM3 32:6;2O [M-H]- 0.042 False 6.55 1113.59631 C55H90N2O21 GM3 MGNBTPLEOJFYFE-UHFFFAOYSA-N O=C(O)C1(OC2C(O)C(OC(CO)C2O)OC3C(O)C(O)C(OCC(NC(=O)CCC=CCC=CCC=CCC=CCC)C(O)C=CCCC=CCCCCCCC)OC3CO)OC(C(O)C(O)CO)C(N=C(O)C)C(O)C1 530 True True False False False null null 82.4 99.9 null null null 79.82 P. room temp 3 1113.59009:3991 1114.59344:3768 1115.5968:1905 31216 35445 22153 0 0 0 0 44298 48853 2845 4603 5462 44763 3027 0 6885 13876 55638 84752 6684 2089 15841 5900 36269 0 0 25466.1399739583 31174.8915201823 19336.5584309896 29604.5651041667 21978.7056710379 0 0 26362.3535673365 46456.0292250724 15483.6228202297 6790.62478122515 22507.5111288547 1213 2.301 1113.59229 w/o MS2:GM3 32:6;2O [M-H]- 0.625 False 6.55 1113.59631 C55H90N2O21 GM3 MGNBTPLEOJFYFE-UHFFFAOYSA-N O=C(O)C1(OC2C(O)C(OC(CO)C2O)OC3C(O)C(O)C(OCC(NC(=O)CCC=CCC=CCC=CCC=CCC)C(O)C=CCCC=CCCCCCCC)OC3CO)OC(C(O)C(O)CO)C(N=C(O)C)C(O)C1 530 True True False False False null null 92.2 99.9 null null null 130.88 B. cold 2 1113.59229:12977 1114.59564:12395 1115.599:6273 31216 35445 3208 0 0 0 0 44298 48853 51884 55451 49456 44763 48951 0 79105 95041 55638 84752 109625 55124 15841 5900 6275 0 0 76594.65625 83167.0026041667 9338.41927083333 23289.5467122396 49093.7907366071 0 0 19821.2181000186 27285.136784846 5634.33848282261 17519.0508391435 3876.538889242 1214 8.034 1119.77136 Unknown [M-H]- ion correlated with 666 0.292 False null null null null null null 999 False False False False False null null null null null null null 151.91 B. cold 2 1119.77136:10708 1120.77471:10251 1121.77807:4117 0 0 0 0 0 0 0 17513 22432 20689 20453 21457 22201 21941 0 50414 60952 40822 43083 77626 65012 0 0 0 0 0 50729.2239583333 61907.1015625 0 0 20955.1319754464 0 0 10069.187809024 17479.6906475339 0 0 1689.80203801082 1215 8.304 1121.78699 Unknown [M-H]- 0.167 False null null null null null null 999 False False False False False null null null null null null null 85.09 B. cold 2 1121.78699:4984 1122.79034:4484 1123.7937:1669 0 0 0 0 0 0 0 10917 13711 12836 13216 13294 10808 14532 0 15935 29926 18959 26850 41257 35748 0 528 0 0 0 21606.5706380208 34618.4641927083 176.071024576823 0 12758.9207589286 0 0 7361.88113099355 7269.51213424207 304.963960307766 0 1399.42850476359 1216 6.581 1121.91016 w/o MS2:PG 23:0_38:3 [M-H]- 0.167 False 13.96 1121.90942 C67H127O10P PG JGVPNUIYJIVSPF-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCCCCCCCCCCCCCCCCCC=CCC=CCC=CCCCCCCC)COP(=O)(O)OCC(O)CO)CCCCCCCCCCCCCCCCCCCCCC 530 True True False False False null null 99.7 99.7 null null null 69.1 P. room temp 1 1121.91016:4079 1122.91351:4679 1123.91687:1631 13848 16103 17842 0 0 0 0 11327 12113 12479 11149 10986 10788 10943 0 10493 13081 7003 13789 17114 16643 25255 20106 21208 0 0 10192.3011067708 15848.6630859375 22189.693359375 15930.9410807292 11397.7586495536 0 0 3050.21209329834 1799.37816958822 2711.12501310881 2002.5929196511 645.13134758275 1217 8.708 1123.80225 Unknown [M-H]- ion correlated with 825 0.083 False null null null null null null 999 False False False False False null null null null null null null 100.28 B. room temp 2 1123.80225:5643 1124.8056:5430 1125.80896:1863 3385 3122 2652 0 0 0 0 12066 13229 11783 12296 12946 12170 11838 0 30118 40031 24941 26182 34029 30657 6963 7591 9001 0 0 31696.8203125 30289.3483072917 7851.87532552083 3053.1064453125 12332.5085100446 0 0 7668.19732922628 3936.36038008196 1043.51909973753 371.420126467505 551.565862829953 1218 1.617 1125.50513 Unknown [M-H]- 0.208 False null null null null null null 999 False False False False False null null null null null null null 107.01 B. cold 2 1125.50513:6400 1126.50848:6076 1127.51184:3321 6396 6261 3635 0 0 0 0 17163 20376 19650 20008 19836 18521 19865 0 41178 19173 28118 39077 47428 34432 2006 0 2142 0 0 29489.80859375 40312.2239583333 1382.64949544271 5430.68286132813 19345.75390625 0 0 11066.7629299078 6585.95873927608 1199.35549358709 1556.86071489517 1121.66730306266 1219 8.232 1131.77014 w/o MS2:HBMP 22:6_18:0_22:6 [M+FA-H]- adduct linked to 1220_[M+Hac-H]- 0.042 False 13.14 1131.76355 C68H109O11P HBMP DLFIYMFJAPBXRX-UHFFFAOYSA-N O=C(OCC(OC(=O)CCC=CCC=CCC=CCC=CCC=CCC=CCC)COP(=O)(O)OCC(OC(=O)CCCCCCCCCCCCCCCCC)CO)CCC=CCC=CCC=CCC=CCC=CCC=CCC 530 True True False False False null null 80.5 99.9 null null null 62.31 B. cold 2 1131.77014:3116 1132.77349:3252 1133.77685:1175 0 0 0 0 0 0 0 7542 7651 5669 7551 6998 6480 6770 0 13610 19233 13467 12566 20670 17484 0 0 0 0 0 15436.3766276042 16906.6507161458 0 0 6951.53892299107 0 0 3288.35839628143 4082.42238341895 0 0 718.811025369934 1220 8.225 1145.78674 Unknown [M+Hac-H]- adduct linked to 1219_[M+FA-H]- 0.542 False null null null null null null 999 False False False False False null null null null null null null 141.2 B. cold 2 1145.78674:13521 1146.79009:13718 1147.79345:4505 0 0 0 0 0 0 0 26557 25098 26308 24822 26044 25347 25516 0 61238 79292 56371 55284 88547 77944 296 264 249 0 0 65633.30859375 73924.78125 269.487187703451 0 25670.2712053571 0 0 12076.2882998359 16991.5580384183 24.2067167749688 0 646.46207617127 1221 7.389 1147.76819 Unknown [M-H]- ion correlated with 1192; ion correlated with 1228 0.708 False null null null null null null 999 False False False False False null null null null null null null 83.3 P. cold 1 1147.76819:4998 1148.77154:5117 1149.7749:2906 45971 42404 41821 0 0 0 0 59499 56548 58104 56501 58053 57225 57440 0 31999 35106 53302 47055 31409 36663 38276 42421 37826 0 0 40135.8346354167 38375.9322916667 39507.6966145833 43398.859375 57624.3264508929 0 0 11507.3020097455 7962.01324507241 2532.93794600475 2246.83157198515 1044.03786341347 1222 8.481 1147.80322 Unknown [M-H]- 0.208 False null null null null null null 999 False False False False False null null null null null null null 79.32 B. cold 2 1147.80322:4778 1148.80657:5516 1149.80993:2179 490 681 612 0 0 0 0 10496 10282 9968 10162 11136 10583 10414 0 26093 26216 20447 23836 33575 30076 1408 1422 1179 0 0 24252.2115885417 29162.2897135417 1336.34529622396 594.569600423177 10434.2393973214 0 0 3295.63241362196 4932.97564194186 136.46173110265 96.6409592811068 372.701863079836 1223 6.425 1161.73975 w/o MS2:PI 21:3_38:10 [M-H]- 0.375 False 12.01 1161.73767 C68H107O13P PI XMOVQMBKFFQNOD-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCC=CCC=CCC=CCC=CCC=CCC=CCC=CCC=CCC=CCC=CCC)COP(=O)(O)OC1C(O)C(O)C(O)C(O)C1O)CCCCCCCC=CCC=CCC=CCCCCC 530 True True False False False null null 97.9 99.8 null null null 68.76 P. cold 1 1161.73975:3721 1162.7431:3169 1163.74646:1617 37680 33837 33438 557 0 0 0 33376 33064 37297 15780 15343 16195 16532 0 11494 11454 12315 12672 11507 11509 34518 36591 36647 185.642069498698 0 11754.4036458333 11895.8844401042 35918.4596354167 34985.0794270833 23941.1102120536 321.541496393977 0 486.079680791995 672.170413585545 1213.13330344664 2342.38323559942 10050.3257615554 1224 7.403 1175.79712 Unknown [M-H]- 0.042 False null null null null null null 999 False False False False False null null null null null null null 61.15 P. room temp 2 1175.79712:3057 1176.80047:3242 1177.80383:1837 31098 29882 21896 0 0 0 0 39110 37018 36510 37967 37569 36677 25329 0 20605 20969 23070 19512 22544 24282 25833 29582 24657 0 0 21548.0735677083 22112.4296875 26690.4251302083 27625.4069010417 35739.8856026786 0 0 1330.95682346456 2414.14464719468 2572.14153789162 4998.59064047135 4675.14226864428 1225 1.979 1183.52966 Unknown [M-H]- 0.25 True null null null null null null 999 False False False False False null null null null null null null 105.64 B. room temp 1 1183.52869:4929 1184.53204:5362 1185.5354:1642 211.1331:25 252.20786:9 262.97467:53 515.18219:18 515.24341:386 515.36426:23 515.74738:10 516.20392:32 516.24323:41 559.14978:34 559.18658:8 559.23328:514 560.23004:26 560.55609:10 562.52124:16 586.46393:28 587.50098:8 590.05908:10 591.04993:20 591.10071:37 591.25964:4148 591.34399:28 591.39441:42 591.44415:29 591.52545:8 591.67175:17 591.7124:11 592.04248:13 592.08313:42 592.1593:11 592.2182:38 592.26294:156 592.33716:7 592.45367:23 592.54834:13 592.74805:9 593.26135:11 595.3797:7 805.99023:10 1182.85962:12 1183.0022:18 1183.21619:22 1183.36597:19 1183.46033:34 1183.5293:244 1183.69348:5 0 0 0 0 0 0 0 8058 7500 7857 7240 7603 8060 8788 0 34034 26997 25321 71017 37688 29388 0 0 0 0 0 28784.1126302083 46031.0638020833 0 0 7872.32638113839 0 0 4623.4064329938 22032.9548103321 0 0 503.10963727332 1226 2.339 1189.75256 Unknown [M-H]- ion correlated with 801 0.542 True null null null null null null 999 True False False False True null null null null null null null 246.98 P. room temp 1 1189.75256:24422 1190.75591:23490 1191.75927:7517 196.03929:31 287.2861:13 288.29044:396 289.32208:8 329.99091:28 457.00385:31 482.39539:27 482.63925:18 482.71414:23 482.82803:13 484.26428:55 484.32974:500 484.73508:18 485.09332:15 485.17093:53 485.2269:196 485.33749:26367 485.53961:83 485.57236:18 485.62231:39 485.6488:59 485.70813:25 485.73267:44 485.78159:36 485.80176:27 485.84357:53 485.86908:62 485.91641:54 486.02985:64 486.13885:36 486.19165:52 486.22067:90 486.25079:68 486.34119:180 486.39554:23 486.44867:18 486.51077:29 486.56415:25 486.59534:19 486.65244:18 486.67758:33 486.73108:14 486.90628:14 487.07404:26 487.15604:15 487.2189:21 487.31769:10 487.341:6 487.49811:6 487.78043:19 488.25677:14 489.53271:11 490.15982:22 501.46219:25 557.84039:53 613.34979:64 873.13513:5 1189.75342:116 138976 145680 158086 0 0 0 0 23285 24096 26111 23648 26053 26849 26049 0 0 0 0 0 0 348 161310 130128 152669 0 0 0 115.901936848958 148035.466145833 147580.692708333 25155.91015625 0 0 0 200.748043318035 16099.0589363366 9695.62340816879 1430.58911173925 1227 2.235 1211.65308 w/o MS2:MLCL 22:6_15:3_20:5 [M-H]- 0.083 False 9.61 1211.65698 C66H102O16P2 MLCL KGOGKHFRTNDTOR-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCC=CCC=CCC=CCC=CCC=CCC)COP(=O)(O)OCC(O)COP(=O)(O)OCC(O)COC(=O)CCCCC=CCC=CCC=CCC)CCC=CCC=CCC=CCC=CCC=CCC=CCC 530 True True False False False null null 92.7 99.7 null null null 77.19 B. cold 1 1211.65308:4646 1212.65643:4251 1213.65979:3250 0 0 0 0 0 0 0 6614 6348 5780 7182 6688 6057 6546 0 21053 20526 11996 37185 17495 18213 0 0 0 0 0 17858.1891276042 24297.8209635417 0 0 6459.25460379464 0 0 5083.30371598881 11166.3301833317 0 0 455.004085302689 1228 7.365 1223.80054 w/o MS2:GM3 39:0;2O [M-H]- ion correlated with 1221 0.667 False 9.22 1223.7998 C62H116N2O21 GM3 QDBOSJLDHVVYCZ-UHFFFAOYSA-N O=C(O)C1(OC2C(O)C(OC(CO)C2O)OC3C(O)C(O)C(OCC(NC(=O)CCCCCCCCCCCCCCCCCCCCCC)C(O)CCCCCCCCCCCCC)OC3CO)OC(C(O)C(O)CO)C(N=C(O)C)C(O)C1 530 True True False False False null null 99.7 100 null null null 82.96 QC-1 1223.80054:4731 1224.80389:5347 1225.80725:2905 56253 54990 50340 292 0 0 0 60343 56145 54080 53896 54368 31113 53098 0 37517 42105 25284 43245 30484 46528 53773 54656 53704 97.2653198242188 0 34968.7890625 40085.55078125 54044.35546875 53860.8671875 51863.3415178571 168.468475749983 0 8695.24841170561 8475.98474698767 531.246148466622 3114.04089944058 9466.16742310935 1229 2.457 1224.23389 Unknown [M-H]- 0.375 False null null null null null null 999 False False False False False null null null null null null null 65.02 B. cold 3 1224.23389:3464 1225.23724:1291 1226.2406:424 1584 958 1161 0 0 0 0 24854 29575 25484 27990 28421 26923 27349 0 27155 31741 29942 27579 31057 31347 2399 1846 2331 0 0 29612.7721354167 29994.3372395833 2191.875 1234.33744303385 27227.9054129464 0 0 2310.57144383329 2097.0013595747 301.805666781096 319.066913987463 1647.9585486483 1230 6.413 1237.77039 w/o MS2:MLCL 22:6_14:0_22:2 [M-H]- 0.042 False 11.16 1237.7666 C67H116O16P2 MLCL OSSXGDOTLNWLSL-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCCCCCCC=CCC=CCCCCC)COP(=O)(O)OCC(O)COP(=O)(O)OCC(O)COC(=O)CCCCCCCCCCCCC)CCC=CCC=CCC=CCC=CCC=CCC=CCC 530 True True False False False null null 93.1 99.9 null null null 60.83 QC-7 1237.77039:3041 1238.77374:3149 1239.7771:2149 21880 22072 21536 0 0 0 0 26102 26414 25620 8599 26253 22466 11948 0 7831 8545 4093 6888 8055 6848 20100 22510 21684 0 0 6822.96297200521 7263.67936197917 21431.2591145833 21829.4309895833 21057.4324776786 0 0 2390.87279671176 685.360573031199 1224.93429509474 271.825946224122 7551.21518930989 1231 6.534 1240.09326 Unknown [M-H]- 0.75 True null null null null null null 999 True False False False True null null null null null null null 157.47 IS 2 1240.09326:30451 1241.09661:32675 1242.09997:11113 241.21468:80 288.29382:136 288.70099:5 702.53253:8 708.49829:38 708.54279:145 708.79279:16 709.04938:8 709.2627:20 709.37158:48 709.55072:13541 709.69464:57 709.73401:74 709.85004:29 709.91296:46 709.97601:42 710.04834:45 710.1123:24 710.1825:30 710.26532:37 710.32709:19 710.40338:43 710.44666:84 710.49628:53 710.5528:760 710.66351:28 710.7074:24 710.75348:20 710.81793:25 711.01147:51 711.08978:11 711.18756:16 711.2326:15 711.36163:8 711.61047:17 711.8891:12 712.07202:6 712.1452:20 712.20361:10 712.60632:11 713.09302:8 947.0061:30 1221.80725:53 1222.97888:38 1240.07764:24 50392 60155 60387 0 0 92500 213092 23882 12308 17321 20750 19623 20555 20510 0 22874 31050 21849 45908 46505 13508 66766 48414 58855 0 152796.16015625 25257.78515625 35307.3092447917 58011.5703125 56978.19921875 19278.6647600446 0 85271.1723646204 5042.6252033639 18880.8239963665 9205.35001858156 5705.15368518625 3629.58238736928 1232 6.576 1273.8728 Unknown [M-H]- 0.75 True null null null null null null 999 True False False False True null null null null null null null 221.77 B. room temp 2 1273.8728:32409 1274.87615:46785 1275.87951:28090 153.36324:12 234.99046:18 367.35669:43 555.18518:25 743.46655:45 905.51276:51 1168.80408:28 1265.61267:11 1269.56519:25 1271.00647:28 1272.97705:11 1273.16284:20 1273.33545:6 1273.50305:66 1273.87097:9517 1274.00415:138 1274.05701:91 1274.17969:54 1274.23462:44 1274.28052:41 1274.3468:34 16323 19629 24792 0 0 0 0 38148 29866 33109 32019 34215 28903 30636 0 169420 215724 81777 122586 185077 188966 26422 20872 25861 0 0 155640.635416667 165542.856770833 24385.1373697917 20247.6888020833 32413.5080915179 0 0 68028.615333221 37252.7422071538 3055.56065045301 4268.16295001777 3129.11416776843 1233 7.342 1287.9231 Unknown [M-H]- 0.25 True null null null null null null 999 False False False False False null null null null null null null 75.33 P. cold 2 1287.92419:3733 1288.92754:5226 1289.9309:2724 438.50729:48 530.7489:34 982.4743:12 1068.62622:32 1287.55347:10 1287.66943:20 1287.75122:34 1287.92297:2392 1288.06128:29 1288.11084:26 1288.28442:24 1288.35938:42 24049 27041 32083 0 0 0 0 10186 9264 9654 9691 9514 9059 8260 0 7037 7915 5979 7681 8827 9255 31947 23175 26932 0 0 6977.31233723958 8587.55501302083 27351.4811197917 27724.4251302083 9375.32114955357 0 0 969.307056193092 813.706120076659 4400.74918418969 4060.34671410144 606.818406676795 1234 6.179 1301.8667 Unknown [M-H]- 0.208 False null null null null null null 999 False False False False False null null null null null null null 87.56 B. room temp 2 1301.8667:5521 1302.87005:7148 1303.87341:4673 0 0 0 0 0 0 0 10732 11396 10846 10477 10825 11002 12502 0 26238 39883 20679 23872 39970 31653 0 0 0 0 0 28933.4140625 31831.70703125 0 0 11111.3136160714 0 0 9881.25567102452 8050.65023242854 0 0 673.87160314149 1235 1.598 1303.46545 Unknown [M-H]- ion correlated with 1237 0.042 False null null null null null null 999 False False False False False null null null null null null null 90.46 B. cold 1 1303.46545:4523 1304.4688:6621 1305.47216:4934 0 0 0 0 0 0 0 2736 3626 3452 2301 3359 4056 3711 0 5894 10542 8175 29361 18420 3483 0 0 0 0 0 8203.42106119792 17087.837890625 0 0 3320.11788504464 0 0 2324.22818842592 12990.4708272065 0 0 603.474323746436 1236 2.212 1315.52002 Unknown [2M+Hac-H]- ion correlated with 1266; adduct linked to 601_[M+FA-H]- 0.042 False null null null null null null 999 False False False False False null null null null null null null 92.88 B. cold 1 1315.52002:4644 1316.52337:8610 1317.52673:6245 346 386 0 0 0 0 0 1973 1785 2075 1932 2520 2368 2098 0 3120 2938 674 28216 14285 5242 0 0 548 0 0 2243.80379231771 15914.4254557292 182.632263183594 244.018676757813 2107.31042480469 0 0 1362.68500707491 11573.1843454471 316.328358935275 212.229386446261 255.771730924708 1237 1.616 1329.46472 Unknown [2M+FA-H]- ion correlated with 1235; ion correlated with 1241; adduct linked to 630_[M+FA-H]- 0.083 False null null null null null null 999 False False False False False null null null null null null null 104.8 B. cold 1 1329.46472:5675 1330.46807:8729 1331.47143:7440 0 0 0 0 0 0 0 3898 3679 3223 3141 3814 3515 3581 0 7654 6731 10409 36037 29270 5397 0 0 0 0 0 8264.88736979167 23568.0895182292 0 0 3550.02877371652 0 0 1913.77472644191 16096.0432437227 0 0 283.943400592114 1238 8.126 1330.2572 Unknown [M-H]- ion correlated with 1249 0.25 False null null null null null null 999 False False False False False null null null null null null null 247.89 B. room temp 1 1330.2572:18730 1331.26055:27013 1332.26391:12304 0 0 0 0 0 0 0 17611 14506 13526 14687 13555 14515 14970 0 124080 107995 61629 84570 60067 42918 0 0 0 0 0 97901.15234375 62518.3359375 0 0 14767.2374441964 0 0 32425.6461132328 20933.8680478142 0 0 1371.09619403704 1239 8.585 1334.28735 Unknown [2M-H]- adduct linked to 719_[M+CH3COO]- 0.208 False null null null null null null 999 False False False False False null null null null null null null 68.42 B. room temp 3 1334.28735:3654 1335.2907:5278 1336.29406:1903 4072 2596 2018 0 0 0 0 20300 20779 21729 15716 19484 10870 11117 0 11087 6021 22025 5524 7666 6448 1636 1922 3254 0 0 13044.0208333333 6546.09423828125 2270.3662516276 2895.56062825521 17142.3600725446 0 0 8179.39163841766 1074.4042470231 863.524181181439 1059.00321297811 4608.004215283 1240 7.458 1341.8783 Unknown [M-H]- 0.542 True null null null null null null 999 True False False False True null null null null null null null 190.68 B. room temp 2 1341.8783:24528 1342.88165:46790 1343.88501:29560 196.0542:39 238.10181:44 283.26465:31 434.32217:25 435.09857:8 449.34033:154 454.04031:21 541.21167:23 582.13672:24 637.4859:13 639.50067:22 651.51227:13 671.46143:42 696.60223:36 738.56897:12 759.60779:16 761.62811:21 769.21863:56 829.04785:13 891.5177:5 951.55371:36 952.53668:27 954.48724:30 954.51929:28 964.65588:30 1021.80042:12 1148.79736:7 1281.51099:22 1284.66724:39 1317.11963:13 1333.24719:19 1333.59985:16 1333.68726:10 1333.91943:5 1334.64697:7 1334.94971:8 1335.31616:10 1335.42163:13 1337.20813:6 1339.63806:38 1341.04224:15 1341.12891:18 1341.30896:30 1341.44592:81 1341.57349:75 1341.64722:183 1341.87769:19429 1342.13074:94 1342.16565:60 1342.22534:92 1342.27991:79 1342.36963:68 3447 3790 2702 0 0 0 0 28348 27126 25607 24000 23863 22043 22112 0 122045 152102 43466 75063 101316 95900 4554 3550 3541 0 0 105870.897135417 90759.7239583333 3881.52132161458 3312.93733723958 24728.2706473214 0 0 56094.5259850806 13860.7589770481 582.439275017417 556.50459706102 2413.62216724588 1241 1.606 1343.48022 Unknown [2M+Hac-H]- adduct linked to 660_[M+Hac-H]- 0.083 True null null null null null null 999 False False False False False null null null null null null null 223.17 B. cold 1 1343.48022:13677 1344.48357:24755 1345.48693:17890 59.0114:48 85.0269:31 453.14984:39 497.17935:77 540.16876:34 554.18164:43 555.13629:11 555.18817:284 555.40155:23 555.43762:16 556.18701:51 583.21472:46 627.21326:49 640.97675:29 641.12659:13 641.22546:236 642.17743:7 642.2356:24 642.82581:25 685.19464:8 696.8844:7 697.0127:8 700.90436:19 701.06616:113 701.11133:128 701.24634:14368 701.37592:63 701.44177:59 701.52502:69 701.55438:86 701.59979:60 701.65381:42 701.69086:59 701.77124:22 701.81781:23 701.84863:24 701.90308:27 701.95679:24 702.01172:36 702.06238:32 702.10303:19 702.14905:29 702.24762:365 702.29559:12 702.3692:24 702.43427:29 702.46954:33 702.56146:6 702.60693:23 702.63611:40 702.67108:25 702.71686:6 702.79932:17 702.83899:14 702.89453:18 703.1842:17 703.30225:8 703.55609:8 703.7066:15 703.82544:14 705.21973:30 705.36945:21 1299.63464:20 1327.71313:17 1334.89966:25 1338.23523:48 1343.47412:32 0 0 0 0 0 0 0 4144 4984 5229 4705 4376 5854 4831 0 10985 11605 15493 84929 52738 7169 0 0 0 0 0 12694.2998046875 48278.7010091146 0 0 4874.75969587054 0 0 2443.87715607878 39071.269782272 0 0 564.250357494826 1242 8.329 1358.29053 w/o MS2:RIKEN N-VS1 ID-8988 from Mouse_AdrenalGlands_fads2KO_N_Ctr [2M-H]- adduct linked to 744_[M+CH3COO]- 0.208 False 13.23 1358.28723 Unknown 530 True True False False False null null 94.7 99.9 null null null 111.31 B. room temp 1 1358.29053:8547 1359.29388:14820 1360.29724:6303 0 0 0 0 0 0 0 6542 5998 5478 4992 3376 3772 4060 0 52850 40916 22993 35790 20370 13021 0 0 0 0 0 38920 23060.462890625 0 0 4888.24661690848 0 0 15028.2023893897 11620.7956464295 0 0 1193.2976575792 1243 8.113 1360.2677 Unknown [M-H]- ion correlated with 1249; ion correlated with 1238 0.25 False null null null null null null 999 False False False False False null null null null null null null 133.84 B. room temp 1 1360.2677:10099 1361.27105:15092 1362.27441:6717 0 0 0 0 0 0 0 14197 10462 10077 9252 8635 9132 9299 0 63525 56964 29754 40806 36917 25981 0 0 0 0 0 50080.951171875 34567.9010416667 0 0 10150.5345982143 0 0 17907.0968715941 7686.63507886298 0 0 1886.2550186242 1244 8.558 1360.30371 Unknown [M-H]- 0.083 False null null null null null null 999 False False False False False null null null null null null null 86.02 B. room temp 1 1360.30371:4485 1361.30706:7498 1362.31042:3134 0 0 0 0 0 0 0 12461 9378 12266 10462 10820 7693 6297 0 28171 17177 25385 16323 13762 9279 0 0 0 0 0 23577.6341145833 13121.0081380208 0 0 9910.953125 0 0 5715.68319158693 3565.4763112716 0 0 2289.06774385659 1245 7.887 1362.24939 Unknown [2M-H]- ion correlated with 681; adduct linked to 613_[M-H]- 0.542 True null null null null null null 999 False False False False False null null null null null null null 411.62 B. room temp 1 1362.24939:49492 1363.25274:72885 1364.2561:36791 104.38766:7 107.11284:15 156.98985:24 166.43623:5 215.08788:41 255.23233:68 267.23413:31 278.21872:17 334.87531:19 335.23004:28 335.29068:21 335.33075:45 380.35101:51 381.27124:16 381.33621:457 381.54535:9 406.36639:74 416.23242:19 422.35788:10 424.3764:119 436.37952:130 608.74646:16 644.59998:27 648.55127:16 649.25549:7 660.828:27 662.60956:27 669.66394:15 671.46246:11 675.92828:12 676.03674:10 676.25238:21 676.33356:12 676.37732:13 676.4859:10 676.55835:16 676.66058:30 676.76465:20 676.90576:27 677.25:5 677.65491:10 678.05072:11 678.34772:24 678.67615:10 678.73474:17 679.0578:26 679.31995:5 679.65326:14 679.91144:25 679.94159:18 680.00464:6 680.03442:33 680.06775:30 680.19122:34 680.22992:33 680.28412:26 680.42938:132 680.62024:56303 681.0506:34 681.0849:94 681.13989:90 681.22284:52 681.27509:35 681.35358:97 681.39319:34 681.43781:15 681.48706:53 681.52423:87 681.6217:2440 681.67908:108 681.71741:68 681.75378:82 681.81384:23 681.86597:38 681.90179:16 681.9433:54 682.06122:36 682.0968:19 682.18488:67 682.23608:56 682.32068:28 682.35449:32 682.39648:42 682.46722:20 682.52094:36 682.56854:12 682.59314:39 682.63831:20 682.70148:54 682.73175:15 682.81622:14 682.87305:23 682.95435:13 683.10785:13 683.13495:17 683.28503:13 683.38983:12 683.45105:11 683.6496:31 683.80145:12 683.87573:7 683.94244:16 684.05505:5 684.16156:16 684.37512:11 684.79163:11 684.95148:10 685.29517:22 685.70074:13 686.6889:6 687.21442:9 687.86652:11 689.9071:16 696.51208:26 698.67505:10 699.09528:11 763.42316:14 1182.45581:15 1204.46436:10 1234.78088:34 1246.26953:25 2216 2881 4576 0 0 0 0 58129 52094 48530 47885 46030 45492 47895 0 310045 219857 157188 226896 226783 152408 5989 2974 4478 0 0 229030.125 202029.213541667 4480.18245442708 3224.42277018229 49436.35546875 0 0 76840.0923630024 42973.2145402681 1507.45516915358 1216.68459283426 4385.26547444819 1246 8.128 1364.26233 Unknown [M-H]- 0.042 False null null null null null null 999 False False False False False null null null null null null null 61.17 QC-1 1364.26233:3058 1365.26568:4668 1366.26904:1900 4850 5223 5097 0 0 0 0 18424 17550 15726 14378 15384 12347 13357 0 9173 7012 4595 5826 4275 3258 6908 3397 7369 0 0 6926.84391276042 4452.85196940104 5891.23974609375 5056.42333984375 15309.3706752232 0 0 2290.07791383467 1293.65608175192 2172.30185536588 189.843051013052 2173.86704705482 1247 8.352 1366.27832 Unknown [M-H]- 0.542 True null null null null null null 999 False False False False False null null null null null null null 204.8 P. cold 1 1366.27832:20347 1367.28167:30696 1368.28503:13085 146.20988:26 161.09315:11 255.20921:23 365.29202:11 383.31918:12 383.34845:146 391.22559:6 392.40457:10 426.39105:9 438.40399:23 650.60016:20 678.26709:11 678.86652:31 679.18225:23 679.5509:14 680.69537:49 681.54266:14 681.7486:6 682.03027:26 682.21075:8 682.24689:28 682.31903:27 682.37323:30 682.40887:41 682.45282:96 682.63464:20522 682.83838:44 682.88898:52 682.92676:65 682.99451:51 683.0144:64 683.05957:45 683.13666:59 683.19257:54 683.21301:93 683.26929:70 683.37537:32 683.40857:43 683.48383:30 683.51978:46 683.57263:62 683.63745:742 683.72595:58 683.79987:24 683.84534:44 683.89325:31 683.92682:40 684.01703:24 684.06158:12 684.11639:33 684.19824:43 684.31628:29 684.39392:39 684.4599:27 684.50458:20 684.65704:14 684.76727:14 684.92102:8 685.27417:27 685.7442:29 686.07001:5 686.30536:7 686.53168:10 704.13501:19 704.18085:16 708.80066:20 1329.98877:5 126058 87434 79223 0 0 0 0 57648 57188 57839 44424 52748 29121 37392 0 13502 9749 7143 4488 7114 4667 65894 45313 81300 0 0 10131.3927408854 5422.95833333333 64169.2747395833 97571.75 48051.4285714286 0 0 3196.40300376301 1466.88630071523 18055.3215188349 25009.1337323629 11391.3656314837 1248 8.536 1386.31946 w/o MS2:RIKEN N-VS1 ID-9021 from Mouse_Ear_fads2KO_N_Ctr [2M-H]- adduct linked to 782_[M+CH3COO]- 0.083 False 13.34 1386.31873 Unknown 530 True True False False False null null 99.7 99.9 null null null 87.24 B. room temp 1 1386.31946:5232 1387.32281:9532 1388.32617:4657 0 0 0 0 0 0 0 2977 1616 2680 2326 2995 2886 1810 0 30747 20914 14136 16313 7958 5125 0 0 0 0 0 21932.2317708333 9798.58203125 0 0 2469.79844447545 0 0 8351.903762593 5816.66264010187 0 0 568.125139790083 1249 8.11 1390.27905 Unknown [2M-H]- ion correlated with 1238; adduct linked to 641_[M-H]- 0.25 False null null null null null null 999 False False False False False null null null null null null null 214.51 B. room temp 1 1390.27905:15256 1391.2824:23040 1392.28576:9317 239 266 327 0 0 0 0 17743 16730 16912 16049 12053 15431 14967 0 96800 88329 41835 64219 66261 42339 1107 261 269 0 0 75654.8346354167 57606.4075520833 545.635772705078 277.353373209635 15697.8685825893 0 0 29593.4514780861 13261.099328441 486.590163981554 44.8103763484168 1858.94851567688 1250 7.451 1395.93506 w/o MS2:CL 12:0_12:0_22:3_22:3 [M-H]- 0.208 False 13.15 1395.93359 C77H138O17P2 CL YFUWKOIKMRYSDS-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCCCC=CCC=CCC=CCCCCC)COP(=O)(O)OCC(O)COP(=O)(O)OCC(OC(=O)CCCCCCCCCCC)COC(=O)CCCCCCCCCCC)CCCCCCCCC=CCC=CCC=CCCCCC 530 True True False False False null null 98.9 99.8 null null null 93.73 P. room temp 3 1395.93506:7378 1396.93841:13984 1397.94177:9525 7874 20978 30168 0 0 0 0 2847 2683 3177 1721 2836 2954 1738 0 0 0 0 0 0 0 25317 19215 43126 0 0 0 0 29219.4765625 19673.1744791667 2565.27980259487 0 0 0 0 12423.8598801149 11204.0424642583 589.934804240426 1251 5.472 1407.98962 Unknown [M-H]- 0.083 False null null null null null null 999 False False False False False null null null null null null null 81.48 P. cold 3 1407.98962:4695 1408.99297:5798 1409.99633:2386 14338 20651 27970 0 0 0 0 1561 1244 987 1277 952 1337 1211 0 0 0 0 664 550 0 12811 6483 14079 0 0 0 404.656677246094 11124.51171875 20986.2236328125 1224.05097307478 0 0 0 355.037516191526 4068.98214071446 6821.92538639887 207.953345803109 1252 5.541 1417.97449 Unknown [M-H]- 0.083 False null null null null null null 999 False False False False False null null null null null null null 80.15 B. room temp 2 1417.97449:4042 1418.97784:3842 1419.9812:1452 3201 3078 4320 0 0 0 0 2545 2697 2761 1835 1615 483 902 0 30620 34085 4527 15821 16041 7861 9882 3878 6058 0 0 23077.5133463542 13241.1240234375 6606.06437174479 3532.73990885417 1834.02798461914 0 0 16157.9544054438 4660.58880822166 3039.28812081051 684.287173291418 899.137072029892 1253 5.068 1429.97485 Unknown [M-H]- 0.042 False null null null null null null 999 False False False False False null null null null null null null 63.82 P. cold 2 1429.97485:3191 1430.9782:4789 1431.98156:1936 19763 20309 18892 0 0 0 0 2766 2539 2383 2464 2170 2934 2705 0 0 0 0 0 273 0 4764 3118 10493 0 0 0 90.901845296224 6124.95336914063 19654.609375 2565.70629882813 0 0 0 157.446614554826 3871.58601814548 715.092746732082 256.932224316719 1254 6.5 1436.04077 Unknown [M-H]- 0.792 True null null null null null null 999 False False False False False null null null null null null null 571.05 QC-1 1436.03723:20150 1437.04058:51786 1438.04394:32724 223.20328:51 266.24347:14 529.34607:8 555.18018:54 556.17426:23 583.4328:19 724.49451:11 890.4613:10 905.20337:40 905.33771:25 905.42102:38 905.4964:308 905.73389:10 906.49622:65 906.84369:14 907.33606:42 907.52667:24 1028.97229:7 1126.23755:5 1407.84534:42 1426.23792:11 1426.6814:11 1426.75977:9 1427.09912:13 1430.1814:6 1434.66711:11 1434.78491:12 1434.89844:11 1435.32153:14 1435.43921:21 1435.46558:26 1435.62036:55 1435.69019:96 1435.78357:190 1436.0354:17461 1436.21069:152 1436.37634:153 1436.42578:89 1436.51758:123 170450 185918 208830 0 0 0 0 124435 120913 110181 146496 148996 151014 90302 0 160383 195679 143536 230710 240826 174287 218330 177533 172727 0 0 166533.130208333 215274.328125 189529.864583333 188399.479166667 127476.530133929 0 0 26609.9097459725 35854.5593711588 25056.7350368541 19309.5407840617 22775.1193036154 1255 5.494 1444.01331 Unknown [2M-H]- adduct linked to 709_[M-H]- 0.458 True null null null null null null 999 True False False False True null null null null null null null 282.82 P. room temp 1 1444.01331:39394 1445.01666:58997 1446.02002:28419 32.85462:54 152.995:213 241.21518:31 255.16518:30 255.23216:1665 255.54088:20 255.88345:19 256.23752:24 354.88031:49 372.44656:55 391.1817:14 391.22641:214 409.23685:9 450.04285:29 465.21771:30 465.26184:55 466.26944:19 483.1937:28 483.27539:98 592.67059:11 669.44781:154 684.75824:12 695.46997:13 717.0498:33 717.07025:16 717.13312:16 717.23846:16 717.35651:9 717.61432:22 717.70789:20 717.79041:22 717.85437:6 718.08649:11 718.53101:5 718.64215:6 719.29694:10 719.99988:14 721.10828:18 721.19189:49 721.28687:130 721.50366:55064 721.98901:46 722.07336:49 722.12067:45 722.15704:19 722.23633:64 722.27655:74 722.30731:27 722.3537:61 722.44196:149 722.50385:1442 722.55981:94 722.60114:32 722.65753:28 722.69684:48 722.74854:84 722.82306:57 722.87238:30 722.96887:83 723.02295:16 723.10968:56 723.21332:29 723.30817:15 723.37909:16 723.45428:46 723.50415:80 723.56464:11 723.59723:27 723.74738:19 723.83887:36 723.95978:31 724.20148:15 724.29449:38 724.48981:12 724.56354:24 724.81537:13 725.23407:24 725.27557:14 725.38293:21 726.2406:17 726.3139:21 727.47375:9 728.28534:15 729.2876:16 730.27795:8 731.27655:14 767.3974:18 782.40265:9 1367.45044:32 1444.02319:14 34274 57262 111880 0 0 0 0 8034 6220 7187 6294 6510 6582 6481 0 36219 30027 6911 48816 55381 24563 228889 117334 142271 0 0 24385.7408854167 42919.78125 162831.403645833 67805.1666666667 6758.1650390625 0 0 15447.18176216 16233.0316422497 58550.4130710414 39862.7874936235 643.866417801464 1256 5.277 1461.03638 Unknown [M-H]- 0.167 False null null null null null null 999 False False False False False null null null null null null null 76.97 B. cold 2 1461.03638:5069 1462.03973:6885 1463.04309:2812 3684 4176 5233 0 0 0 0 3612 3459 3448 2238 2758 2988 2624 0 21673 19868 9645 19834 29755 9868 4324 3172 4931 0 0 17061.8736979167 19818.9339192708 4142.48429361979 4364.37727864583 3018.09838867188 0 0 6486.40915054392 9943.26506654543 893.038666939888 791.273253310447 510.44321467366 1257 6.567 1464.10986 Unknown [M-H]- 0.208 False null null null null null null 999 False False False False False null null null null null null null 83.2 P. room temp 1 1464.10986:4680 1465.11321:6033 1466.11657:2527 21848 21866 24183 0 0 0 0 9785 7005 9218 9569 9326 9945 7710 0 4469 5327 3788 6717 8073 4186 30395 28349 30648 0 0 4528.08406575521 6325.42041015625 29797.0755208333 22632.3385416667 8936.88811383929 0 0 770.71826884911 1973.27503685852 1260.71201504963 1343.03976026141 1125.55489071109 1258 5.53 1470.02759 Unknown [M-H]- 0.083 False null null null null null null 999 False False False False False null null null null null null null 89.82 P. room temp 3 1470.02759:4722 1471.03094:7093 1472.0343:3045 8985 13135 15762 0 0 0 0 2001 1977 1509 1576 1550 2122 2153 0 2738 2494 0 2205 3555 2920 24316 15061 26663 0 0 1744.16080729167 2893.5068359375 22013.4798177083 12627.3385416667 1841.18505859375 0 0 1515.4139159302 675.759571906855 6134.0992439913 3416.88036801159 284.481757358343 1259 5.256 1482.10059 Unknown [2M-H]- adduct linked to 748_[M-H]- 0.5 True null null null null null null 999 True False False False True null null null null null null null 120.3 P. room temp 3 1482.10059:9129 1483.10394:14593 1484.1073:5042 241.17207:42 241.21365:103 286.50146:17 288.29099:230 299.45508:9 451.23984:75 469.25909:47 733.50574:59 736.23383:6 739.46735:28 739.53894:188 739.71167:13 739.815:12 740.27563:49 740.32263:60 740.41779:242 740.5462:9571 740.69751:92 740.74634:61 740.83905:28 740.93024:40 740.99323:54 741.04028:41 741.08563:41 741.13702:34 741.17822:30 741.21729:13 741.26654:41 741.31873:27 741.39484:15 741.44965:31 741.54846:844 741.67627:19 741.82684:28 741.92169:5 741.98761:51 742.00653:40 742.09125:18 742.16656:43 742.23242:31 742.29834:14 742.35486:21 742.50671:9 743.15619:8 743.50385:7 743.88037:14 744.21069:15 744.36621:6 744.4668:10 745.48383:30 747.8468:16 764.9118:9 1069.45203:9 36617 39632 43783 0 0 11038 33750 14273 13629 13879 11486 12414 11729 11360 0 26962 25521 21263 24411 37776 10412 43257 33082 53299 0 22394.2431640625 24581.6354166667 24199.748046875 43212.4440104167 40010.7825520833 12681.3727678571 0 16059.9514643059 2963.29290454528 13683.2098604121 10108.8129271788 3598.24324792137 1225.91372662938 1260 4.884 1487.97852 Unknown [M-H]- 0.292 True null null null null null null 999 True False False False True null null null null null null null 138.4 B. cold 2 1487.98083:8411 1488.98418:12018 1489.98754:5176 78.96002:32 152.99719:85 153.79337:20 253.21741:244 279.20941:24 279.23279:173 330.37476:31 415.22095:30 439.20154:16 489.2511:41 507.12808:26 507.22318:29 507.27121:870 508.28036:71 508.42062:22 509.20529:11 511.42471:8 739.55115:7 742.18463:7 743.28503:39 743.3429:150 743.38922:121 743.48645:9779 743.63727:47 743.77472:32 743.8172:29 743.87061:31 744.01117:16 744.03284:35 744.07806:19 744.11285:30 744.16278:19 744.22101:17 744.27594:12 744.32263:56 744.34857:26 744.4079:31 744.48859:422 744.65289:29 744.7002:17 744.77563:27 744.83221:15 744.86993:8 745.00195:16 745.10571:11 745.15289:27 745.32812:24 745.43701:10 745.53967:36 745.66235:31 747.58984:7 749.81024:8 770.61743:9 824.45636:20 857.52417:23 932.05145:27 1487.80042:14 1487.89392:28 18183 18959 23956 0 0 0 0 10807 11035 8625 7385 9003 11159 10732 0 53752 61154 25883 52375 49799 34029 11884 10952 15713 0 0 46929.5 45400.9830729167 12849.5904947917 20366.107421875 9820.69161551339 0 0 18599.0000098863 9931.89599483352 2523.15283992364 3132.85136671566 1477.43361200408 1261 4.652 1487.98108 Unknown [M-H]- 0.375 True null null null null null null 999 True False False False True null null null null null null null 141.59 P. room temp 2 1487.98181:8152 1488.98516:14119 1489.98852:32254 136.12045:19 254.25006:23 255.23466:376 277.21786:167 413.20953:35 488.24173:36 505.23105:25 738.56488:12 741.46838:63 743.258:7 743.3194:40 743.48688:7696 743.58221:52 743.61664:20 743.71954:20 743.76678:22 743.90387:37 744.00983:27 744.10608:11 744.16205:7 744.24744:13 744.41742:44 744.49109:357 744.58685:14 744.61517:17 744.72681:35 744.77539:12 744.86981:10 744.9024:6 745.05835:13 745.13385:6 745.37915:18 745.68103:16 746.48798:6 747.10632:5 791.49518:50 1418.1261:30 39264 45557 53235 0 0 0 0 15142 15100 16126 12641 15347 16580 16265 0 15885 17348 8178 23336 34904 21162 43380 46347 57883 0 0 13803.6599934896 26467.4791666667 49203.2682291667 46018.6197916667 15314.4151785714 0 0 4926.85477204798 7386.93042567191 7662.23024313634 6996.73939442243 1315.86922467692 1262 5.09 1489.97412 Unknown [M-H]- 0.167 False null null null null null null 999 False False False False False null null null null null null null 98.1 B. room temp 2 1489.97412:5773 1490.97747:9005 1491.98083:0 5400 4879 5722 0 0 0 0 12170 13183 9872 6217 5537 2987 3571 0 39529 42403 12760 28133 35920 17996 8968 5541 7160 0 0 31563.8522135417 27349.91796875 7222.93831380208 5333.66959635417 7648.20239257813 0 0 16347.8870658992 8987.34062501368 1714.04057084989 425.782836043551 4100.61156816415 1263 4.671 1489.9856 Unknown [M-H]- 0.292 False null null null null null null 999 False False False False False null null null null null null null 137.97 QC-1 1489.9856:9399 1490.98895:13196 1491.99231:7187 104678 113490 120369 0 0 0 0 54443 41028 39196 36060 37559 38131 37156 0 9886 10207 7733 14875 23098 16915 120812 110375 133855 0 0 9275.27425130208 18296.1927083333 121680.567708333 112845.671875 40510.3013392857 0 0 1345.26433816636 4282.05131364262 11764.4807367123 7865.1162667442 6345.01847458841 1264 5.091 1492.01331 Unknown [M-H]- similar chromatogram in higher mz_1276; similar chromatogram in higher mz_1286 0.667 True null null null null null null 999 True False False False True null null null null null null null 928.51 P. room temp 2 1492.01453:91295 1493.01788:137502 1494.02124:64786 78.95734:27 85.01035:46 152.99464:268 153.03979:8 153.58235:12 168.13818:14 210.04909:31 215.88826:40 255.23218:2384 255.34723:11 255.44662:6 255.47424:6 255.55708:8 255.74493:21 255.87206:16 255.94943:5 256.2038:26 256.23141:42 270.30664:9 279.15213:50 279.23254:738 279.31281:8 279.52692:6 279.75189:13 314.01956:16 319.88217:13 348.2197:32 391.11191:23 415.13565:37 415.22354:161 456.09534:15 465.26929:72 489.26028:322 489.84521:10 490.25928:54 507.22827:37 507.27112:131 513.13171:31 683.73688:39 740.56049:6 740.68719:7 740.74298:15 740.84869:18 740.95648:36 741.00696:17 741.05396:9 741.16846:22 741.21991:15 741.29242:11 741.37384:5 741.4397:10 741.60907:20 741.67395:13 741.8161:26 741.91962:10 742.01373:16 742.04022:12 742.46564:8 742.54095:20 742.71985:23 742.83289:21 743.47028:26 743.63361:10 743.7655:25 743.85632:14 743.91626:17 743.94458:15 744.37738:16 744.47662:33 744.54126:18 744.66156:37 744.81189:22 744.94391:24 745.02881:25 745.06512:17 745.14203:65 745.18201:115 745.2359:93 745.29108:173 745.50305:105829 746.32367:125 746.44684:354 746.5047:3281 746.59583:105 746.62732:129 746.66919:103 746.73767:36 746.79242:75 746.91644:63 746.9693:70 747.03326:25 747.06805:24 747.11255:88 747.15112:39 747.19916:83 747.26581:37 747.36261:63 747.4079:34 747.45508:25 747.51196:133 747.70038:22 747.76154:37 747.7923:9 747.83844:28 747.87494:31 747.92712:40 748.04053:12 748.09729:12 748.19342:22 748.27155:9 748.41583:28 748.48651:18 748.55096:10 748.62634:23 748.65698:24 748.711:19 748.84662:26 748.91974:23 749.005:22 749.07104:19 749.37219:5 749.43988:19 749.71423:18 749.93262:6 750.03595:6 750.16846:13 750.26312:13 750.42401:16 750.46252:6 750.55005:21 750.70227:25 750.83112:5 750.96381:11 751.2099:16 751.27612:9 751.87299:5 753.65131:8 753.7027:6 755.07861:6 756.20929:15 761.00586:9 767.77716:6 768.35626:8 768.48792:16 804.27997:8 819.57062:30 1140.29419:25 1273.47998:40 1491.78528:42 1492.01221:22 449195 464692 507022 0 0 0 0 159077 171148 157358 143707 158974 164405 155628 0 52555 73861 41653 72384 80154 64470 554423 555218 623692 0 0 56023.08984375 72335.7278645833 577777.958333333 473636.53125 158613.816964286 0 0 16381.8421792327 7841.77128142455 39764.822160576 29933.3161624379 8403.20950364413 1265 5.592 1498.04529 Unknown [M-H]- 0.25 False null null null null null null 999 False False False False False null null null null null null null 95.61 P. room temp 3 1498.04529:5673 1499.04864:8308 1500.052:6791 30828 28308 31160 0 0 0 0 11020 7133 6987 6569 6700 7537 7367 0 280 594 0 941 270 0 31580 27861 38558 0 0 291.073333740234 403.888549804688 32666.2376302083 30098.7024739583 7616.1728515625 0 0 296.979299358219 484.63045395292 5430.71526290626 1560.01190199632 1539.47651279567 1266 2.231 1510.72644 Unknown [M-H]- ion correlated with 1236 0.042 False null null null null null null 999 False False False False False null null null null null null null 74.56 B. cold 1 1510.72644:3728 1511.72979:6030 1512.73315:2987 0 0 0 0 0 0 0 1522 1278 1514 1557 1716 1589 1459 0 5017 5121 506 21110 15411 6515 0 0 0 0 0 3547.63735961914 14345.5522460938 0 0 1519.54668317522 0 0 2634.8596237152 7355.75224379111 0 0 133.281081512714 1267 5.905 1514.05554 Unknown [M-H]- 0.125 False null null null null null null 999 False False False False False null null null null null null null 90.15 P. cold 1 1514.05554:4585 1515.05889:7342 1516.06225:3488 27528 26945 27153 0 0 0 0 4496 4641 4214 4235 4183 4755 4274 0 0 0 0 0 0 0 6264 4434 12545 0 0 0 0 7747.6318359375 27208.5514322917 4399.74888392857 0 0 0 0 4254.4074997916 295.614076759097 230.251602095781 1268 7.39 1519.10767 Unknown [M-H]- 0.25 True null null null null null null 999 False False False False False null null null null null null null 110.15 P. room temp 1 1519.10767:7583 1520.11102:15615 1521.11438:9995 198.76677:20 326.30463:32 382.33398:18 562.97009:42 626.53717:67 626.5708:286 626.66278:6 891.52771:35 1219.83826:13 1509.77795:7 1510.69104:11 1510.89258:10 1515.16675:5 1515.92004:27 1518.20801:17 1518.70618:15 1518.79468:48 1518.8877:60 1519.10498:5295 1519.24487:37 1519.33911:39 1519.39282:53 1519.4718:37 1519.51831:22 1519.56812:30 25211 31687 29004 0 0 0 0 11456 10283 10224 10182 7871 9353 7252 0 2191 1844 1974 1756 1636 1100 47379 28887 39420 0 0 2003.02583821615 1497.16564941406 38561.97265625 28634.02734375 9517.23521205357 0 0 175.158079978916 349.253203948867 9276.09678669073 3254.03078583466 1480.73633484908 1269 2.226 1533.7262 Unknown [M-H]- 0.208 True null null null null null null 999 False False False False False null null null null null null null 243.51 B. cold 1 1533.72668:16421 1534.73003:38509 1535.73339:30942 142.33394:19 233.23224:33 277.21771:430 277.99597:35 435.25131:24 526.32489:8 541.21161:90 541.98517:14 627.10065:19 627.18976:20 627.24744:147 628.24341:13 655.46234:21 832.68298:26 899.88483:9 900.30017:36 900.44543:5 900.67346:5 901.7627:6 902.01172:7 904.65991:13 904.99261:15 905.17761:28 905.21338:50 905.26807:79 905.47186:19380 905.62268:188 905.69202:73 905.75751:85 905.82751:43 905.85681:65 905.90912:73 906.00195:66 906.08411:58 906.13593:96 906.18835:48 906.23785:38 906.29181:74 906.40662:114 906.47321:572 906.57336:40 906.62421:52 906.70844:59 906.77106:37 906.83197:11 906.90442:24 906.9574:30 907.09894:14 907.177:8 907.25677:14 907.30182:17 907.33679:11 907.41626:35 907.50116:21 907.62421:6 907.71899:20 907.80145:5 907.89514:27 908.04614:19 908.20123:11 908.48871:21 908.99915:8 909.28644:24 909.72852:16 910.89618:23 911.22772:32 938.33997:34 941.46509:47 1371.59607:72 1533.6394:16 1533.71936:50 0 0 0 0 0 0 0 5754 7685 6315 6553 7653 8665 7355 0 24453 41874 8155 95054 147747 42287 0 0 0 0 0 24827.6927083333 95029.33984375 0 0 7140.17375837054 0 0 16862.7143087763 52729.9006894439 0 0 989.673074340376 1270 5.165 1537.98633 w/o MS2:Ac4PIM2 14:0_14:0_14:0_17:1 [M-H]- 0.042 False 13.01 1537.98962 C80H147O25P Ac4PIM2 WCQSIELHCFICQQ-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCCCCCCCC)COP(=O)(O)OC1C(OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C(OC(=O)CCCCCCCC=CCCCCCCC)C1OC3OC(COC(=O)CCCCCCCCCCCCC)C(O)C(O)C3O)CCCCCCCCCCCCC 530 True True False False False null null 94.7 99.7 null null null 72.04 B. cold 2 1537.98633:3602 1538.98968:5859 1539.99304:0 271 693 1219 0 0 0 0 2422 1816 1822 987 1031 0 0 0 18265 17375 6207 17258 22595 11955 2698 864 1900 0 0 13948.9921875 17269.3795572917 1820.77012125651 727.337148030599 1154.02141462054 0 0 6719.43908328734 5319.59797072326 919.571616921485 475.028276599458 930.841753243891 1271 6.831 1538.2052 Unknown [2M-H]- adduct linked to 896_[M+FA-H]- 0.25 False null null null null null null 999 False False False False False null null null null null null null 102.69 B. cold 2 1538.2052:5851 1539.20855:10859 1540.21191:4790 0 0 0 0 0 0 0 5133 6533 6301 5746 6388 5509 5709 0 29601 30214 24670 34221 34276 28119 0 0 235 0 0 28161.9153645833 32205.1927083333 78.2743733723958 0 5902.80859375 0 0 3039.690902974 3538.87937175885 135.575191611606 0 516.490689463694 1272 5.135 1540.02466 Unknown [M-H]- 0.375 True null null null null null null 999 True False False False True null null null null null null null 159.79 P. room temp 3 1540.02612:12116 1541.02947:19349 1542.03283:9630 79.95727:31 80.96601:55 372.9675:27 537.27332:17 684.46198:40 788.6311:9 790.48358:24 790.7309:30 790.87421:28 791.48657:14 792.5368:34 793.25873:11 793.34845:74 793.51477:14206 793.66095:124 793.71625:48 793.78235:29 793.82825:57 793.88635:56 793.94983:27 793.99713:34 794.06213:70 794.1803:30 794.23071:32 794.30902:47 794.3764:41 794.40564:34 794.51636:542 794.56152:74 794.64948:28 794.70892:14 794.76599:23 794.89282:29 794.94946:10 795.03394:16 795.21783:31 795.36035:13 795.44318:40 795.52521:32 795.57477:11 795.64142:10 795.89642:17 795.96466:21 820.53418:10 828.51025:13 855.52155:32 34927 46248 70435 0 0 0 0 11395 9800 9657 8836 9045 7211 9657 0 20932 18134 5973 24584 26165 14402 83302 57348 73341 0 0 15012.9290364583 21717.0345052083 71330.5729166667 50536.6627604167 9371.66489955357 0 0 7953.24830523445 6383.8469624689 13093.1920399894 18138.3167906218 1258.32388715277 1273 8.345 1550.21069 Unknown [M-H]- 0.042 False null null null null null null 999 False False False False False null null null null null null null 64.92 B. room temp 1 1550.21069:3246 1551.21404:2056 1552.2174:719 0 0 0 0 0 0 0 5906 5854 5141 5147 4063 4432 3879 0 22262 18968 16349 17206 14996 11367 0 0 0 0 0 19192.9954427083 14522.892578125 0 0 4917.34563337054 0 0 2962.54558841529 2948.08081023688 0 0 816.695701190225 1274 8.361 1553.20129 Unknown [M-H]- 0.083 False null null null null null null 999 False False False False False null null null null null null null 61.55 QC-3 1553.20129:3113 1554.20464:5630 1555.208:2529 1858 1767 2247 0 0 0 0 20026 19214 19936 17556 19028 12382 12012 0 11304 8913 9422 7083 9102 6742 2664 4297 3642 0 0 9879.85188802083 7642.29638671875 3534.2861328125 1957.58471679688 17164.7142857143 0 0 1259.77073932515 1275.52829354993 821.846406151797 254.756112979229 3490.93090974126 1275 7.648 1559.13892 Unknown [M-H]- 0.167 False null null null null null null 999 False False False False False null null null null null null null 92.99 B. room temp 2 1559.13892:5987 1560.14227:11911 1561.14563:8445 1519 1874 1362 0 0 0 0 5901 5574 5741 3284 5316 5123 4703 0 25646 36904 10511 11934 29856 20400 3036 1704 3102 0 0 24353.3948567708 20730.06640625 2614.10701497396 1585.14213053385 5091.66165597098 0 0 13244.1556048635 8965.79938744252 788.663529932589 262.402081505526 892.481339441518 1276 5.072 1575.07239 Unknown [M-H]- 0.375 True null null null null null null 999 False False False False False null null null null null null null 96.19 P. cold 1 1575.07104:5144 1576.07439:6771 1577.07775:3096 78.96167:18 287.28122:42 288.29483:33 395.21719:6 723.42041:28 745.50104:111 810.53644:44 823.30493:23 827.54877:133 828.33398:44 828.44446:114 828.56:4273 828.6875:34 828.7674:12 828.81091:12 828.84692:40 828.92621:25 829.02771:21 829.10547:11 829.17291:26 829.36115:40 829.43365:24 829.50336:35 829.5636:152 829.79016:34 830.01099:7 830.20013:18 830.26984:6 830.39502:8 830.55859:30 831.83875:6 1049.82202:26 1514.97815:27 29809 31916 33802 0 0 0 0 14246 14641 14631 12818 12948 16014 13867 0 15927 18449 11087 19094 17552 9986 35373 29811 37343 0 0 15153.8564453125 15543.7923177083 34175.8893229167 31842.1197916667 14166.2516741071 0 0 3741.3219626971 4874.83806575803 3906.1307272598 1997.79720043297 1099.56699062662 1277 4.905 1578.01172 Unknown [M-H]- ion correlated with 1288 0.125 False null null null null null null 999 False False False False False null null null null null null null 67.8 P. cold 3 1578.01172:3709 1579.01507:6711 1580.01843:3106 16583 18388 21792 0 0 0 0 4853 3886 4584 4453 4911 5054 4717 0 4736 3530 2584 3433 4164 4475 14018 13880 18155 0 0 3616.86263020833 4023.90014648438 15350.83984375 18920.857421875 4636.78404017857 0 0 1078.59571497638 534.874142516111 2429.63539325991 2645.44538415449 387.787324550425 1278 5.158 1588.03418 w/o MS2:CL 17:0_22:3_22:6_22:6 [M-H]- 0.042 False 13.41 1588.02759 C92H150O17P2 CL DKLIPOAINQQXQV-UHFFFAOYSA-N O=C(OCC(OC(=O)CCC=CCC=CCC=CCC=CCC=CCC=CCC)COP(=O)(O)OCC(O)COP(=O)(O)OCC(OC(=O)CCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCC=CCC=CCC=CCCCCC)CCC=CCC=CCC=CCC=CCC=CCC=CCC 530 True True False False False null null 80.5 99.7 null null null 73.69 P. room temp 1 1588.03418:3684 1589.03753:5084 1590.04089:2888 4972 8012 15308 0 0 0 0 2196 2048 1824 2089 2325 2347 1631 0 11132 8059 3839 12161 12318 7004 22170 8973 13776 0 0 7676.45255533854 10494.298828125 14972.8938802083 9430.35563151042 2065.79666573661 0 0 3661.7736917782 3023.59295261663 6679.50204536313 5311.94299302631 261.879628746988 1279 4.869 1602.01062 Unknown [M-H]- 0.083 False null null null null null null 999 False False False False False null null null null null null null 72.07 B. cold 2 1602.01062:3735 1603.01397:5826 1604.01733:2057 8084 8090 10296 0 0 0 0 5980 6216 6231 5626 5788 6676 5652 0 13900 16937 10216 19035 22209 16705 5903 5919 7175 0 0 13684.439453125 19316.263671875 6332.39697265625 8823.24267578125 6024.21602957589 0 0 3365.58071927126 2762.88106376211 730.182727224432 1275.41936030798 378.335987283854 1280 5.618 1610.06226 Unknown [M-H]- 0.083 False null null null null null null 999 False False False False False null null null null null null null 76.82 B. room temp 2 1610.06226:4032 1611.06561:4793 1612.06897:2273 3814 3047 3348 0 0 0 0 5269 6067 5724 5176 3687 2465 1430 0 28564 31673 8643 15058 18523 11869 5959 3559 5454 0 0 22960.0126953125 15149.7001953125 4990.51432291667 3402.83976236979 4259.52237374442 0 0 12495.8639776018 3327.79611921575 1265.34067240356 386.381416694939 1771.12603431609 1281 6.534 1616.06702 Unknown [M-H]- 0.792 False null null null null null null 999 False False False False False null null null null null null null 203.42 B. cold 2 1616.06702:16049 1617.07037:30546 1618.07373:20995 61782 73177 41307 0 0 0 0 48202 29573 40767 41471 58031 59036 41451 0 73066 91383 68480 93013 100779 66981 79134 73325 58772 0 0 77642.8151041667 86924.125 70410.3203125 58755.0807291667 45504.626953125 0 0 12118.2796029208 17702.4343186665 10489.0882277046 16149.218063029 10458.272732653 1282 4.918 1623.9845 Unknown [M-H]- ion correlated with 994 0.042 False null null null null null null 999 False False False False False null null null null null null null 178.7 B. cold 1 1623.9845:8935 1624.98785:16138 1625.99121:10982 233 765 1187 0 0 0 0 3035 2643 3114 2632 3164 2116 2664 0 9371 5638 8662 51323 6081 5242 315 0 830 0 0 7890.16145833333 20882.150390625 381.467926025391 728.602528889974 2766.82069614955 0 0 1982.30447901065 26366.2399626096 418.798823453271 477.873727370044 369.185873941613 1283 4.761 1636.03577 Unknown [M-H]- 0.25 True null null null null null null 999 False False False False False null null null null null null null 159.82 P. cold 1 1636.03503:5105 1637.03838:12703 1638.04174:7737 138.05746:25 812.80438:11 813.17883:10 813.93799:9 814.72656:16 815.35779:16 817.1814:16 817.28302:54 817.35144:67 817.50934:11117 817.61792:68 817.72253:66 817.81781:54 817.88727:41 817.96588:34 818.02826:70 818.09802:30 818.14618:39 818.18225:7 818.34039:17 818.36902:22 818.43805:15 818.50983:353 818.59741:25 818.67651:49 818.75244:11 818.7998:25 818.88416:24 818.93359:10 818.98187:10 819.10553:16 819.16327:17 819.23022:15 819.3031:28 819.4082:22 819.46765:11 819.52698:18 819.58691:22 819.64569:11 819.8335:28 820.07111:7 820.31842:33 820.47687:47 820.95837:9 28889 45300 50844 0 0 0 0 14184 15666 14781 13236 15189 15051 15890 0 7680 7195 5582 6824 8827 6306 49947 48442 57481 0 0 6818.82877604167 7319.115234375 51956.7083333333 41677.4459635417 14856.7553013393 0 0 1098.10808534468 1331.35773290888 4842.82409548635 11416.9642459036 908.771432541967 1284 5.549 1636.09863 w/o MS2:Ac4PIM2 14:0_14:0_20:0_18:1 [M-H]- 0.083 False 13.59 1636.09924 C87H161O25P Ac4PIM2 WTIGJDJCTUKRID-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCCCCCCCC)COP(=O)(O)OC1C(OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C(OC(=O)CCCCCCCC=CCCCCCCCC)C1OC3OC(COC(=O)CCCCCCCCCCCCCCCCCCC)C(O)C(O)C3O)CCCCCCCCCCCCC 530 True True False False False null null 99.8 99.7 null null null 76.02 P. room temp 3 1636.09863:3817 1637.10198:5868 1638.10534:2672 11295 12008 11015 0 0 0 0 5503 5618 5764 5564 5494 5607 4457 0 5048 3822 4289 7649 8474 5021 23379 18383 24230 0 0 4386.12662760417 7047.900390625 21997.2864583333 11439.2060546875 5429.56640625 0 0 618.819870769242 1803.20327228859 3159.1583109173 512.100391234301 438.147348810906 1285 5.468 1650.0918 Unknown [M-H]- 0.042 False null null null null null null 999 False False False False False null null null null null null null 69.63 P. cold 1 1650.0918:3482 1651.09515:5608 1652.09851:2717 21393 18751 16639 0 0 0 0 3252 3936 3072 2808 2978 3238 3095 0 0 0 0 0 0 0 6429 5232 10069 0 0 0 0 7243.47965494792 18927.7317708333 3197.146484375 0 0 0 0 2519.10381994307 2382.18942519228 359.767832317726 1286 5.061 1658.08313 w/o MS2:Ac4PIM2 14:0_18:0_18:2_18:2 [2M-H]- ion correlated with 1096; adduct linked to 923_[M-H]- 0.25 False 13.33 1658.0835 C89H159O25P Ac4PIM2 XBAGFEUSBXRYDW-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCCCCCCCC)COP(=O)(O)OC1C(OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C(OC(=O)CCCCCCCC=CCC=CCCCCC)C1OC3OC(COC(=O)CCCCCCCC=CCC=CCCCCC)C(O)C(O)C3O)CCCCCCCCCCCCCCCCC 530 True True False False False null null 99.9 99.7 null null null 104.99 P. room temp 3 1658.08313:6282 1659.08648:11121 1660.08984:5724 19926 32435 31938 0 0 0 0 10499 9815 9641 11806 11809 10807 10884 0 0 892 753 392 0 2536 33821 28728 38574 0 0 548.348185221354 976.145345052083 33707.6354166667 28099.5221354167 10751.6526227679 0 0 479.883592482941 1365.09885068329 4923.90302087266 7083.06014599895 858.650108996871 1287 5.567 1662.1145 w/o MS2:Ac4PIM2 14:0_16:0_20:0_18:2 [M-H]- 0.25 False 13.54 1662.11475 C89H163O25P Ac4PIM2 GGHZAXYDDLYNDG-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCCCCCCCC)COP(=O)(O)OC1C(OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C(OC(=O)CCCCCCCC=CCC=CCCCCC)C1OC3OC(COC(=O)CCCCCCCCCCCCCCCCCCC)C(O)C(O)C3O)CCCCCCCCCCCCCCC 530 True True False False False null null 100 99.7 null null null 111.51 P. room temp 3 1662.1145:6183 1663.11785:11813 1664.12121:6331 35031 31648 35821 0 0 0 0 13145 13686 13485 12773 12585 13016 13283 0 5812 5120 4980 6496 6994 6021 33355 30733 37322 0 0 5304.11344401042 6503.70263671875 33803.1334635417 34166.7174479167 13139.0479910714 0 0 445.427635785446 486.739448420506 3317.49450105002 2216.54491404469 386.176748640026 1288 4.927 1668.04321 Unknown [2M-H]- ion correlated with 1277; ion correlated with 279; adduct linked to 930_[M-H]- 0.25 False null null null null null null 999 False False False False False null null null null null null null 71.38 P. cold 3 1668.04321:3898 1669.04656:6998 1670.04992:3230 19562 21408 22894 0 0 0 0 4736 5546 4972 4029 4355 3700 4508 0 666 0 0 1068 0 854 19788 18861 22166 0 0 221.891296386719 640.571838378906 20271.8040364583 21287.7102864583 4549.70315987723 0 0 384.326999099121 564.996975694537 1704.86344110459 1669.30478773388 610.796421669586 1289 6.811 1675.11438 Unknown [M-H]- 0.125 False null null null null null null 999 False False False False False null null null null null null null 81.4 B. room temp 3 1675.11438:4100 1676.11773:9715 1677.12109:6716 0 285 0 0 0 0 0 4847 5045 4109 4508 5366 4680 4606 0 24326 14284 24496 11139 24814 13372 0 0 0 0 0 21034.9947916667 16441.787109375 0 94.9817911783854 4737.29547991071 0 0 5847.55007496671 7336.216388716 0 164.513288114861 402.16678574503 1290 4.684 1680.06702 w/o MS2:Ac4PIM2 16:1_18:2_18:2_18:2 [M-H]- 0.167 False 13.22 1680.06787 C91H157O25P Ac4PIM2 NBXVAXJOMXWMRM-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCCC=CCCCCCC)COP(=O)(O)OC1C(OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C(OC(=O)CCCCCCCC=CCC=CCCCCC)C1OC3OC(COC(=O)CCCCCCCC=CCC=CCCCCC)C(O)C(O)C3O)CCCCCCCC=CCC=CCCCCC 530 True True False False False null null 99.6 99.6 null null null 76.2 B. cold 2 1680.06702:4716 1681.07037:7979 1682.07373:4062 9956 10068 12071 0 0 0 0 10927 11985 12383 10979 13083 11433 11727 0 15104 19381 16426 20107 27797 22958 12666 11753 13738 0 0 16970.2880859375 23620.865234375 12718.9518229167 10698.5608723958 11788.30859375 0 0 2189.86555279921 3887.49793163919 993.783037334826 1190.12618677185 774.329670435003 1291 6.455 1684.05725 Unknown [M-H]- 0.542 True null null null null null null 999 False False False False False null null null null null null null 68.36 QC-3 1684.04944:3020 1685.05279:5292 1686.05615:4136 49.36117:39 226.98775:10 303.22617:51 555.1803:112 595.17615:31 670.13141:15 860.49445:26 904.97949:27 905.36066:26 905.39075:22 905.5022:106 906.12909:6 906.86774:20 923.51978:12 943.52051:21 965.50665:8 1067.5354:19 1068.53967:11 1161.73901:33 1397.80396:34 1427.81714:8 1457.99243:50 1677.08777:14 1683.69482:13 1683.80688:56 1683.88855:73 1684.04846:1765 1684.33142:19 1684.4032:39 1684.5437:19 15456 15222 16600 0 0 0 0 16552 5140 15597 15372 15501 16847 16424 0 13819 15274 17114 15135 18209 17528 15607 19002 19196 0 0 15401.9720052083 16957.4430338542 17934.9264322917 15759.4781901042 14490.227608817 0 0 1651.22102417435 1614.49487513994 2018.16147217631 737.512835246967 4163.29548756215 1292 5.494 1686.11475 Unknown [M-H]- 0.542 True null null null null null null 999 True False False False True null null null null null null null 159.88 P. room temp 1 1686.11475:16548 1687.1181:27942 1688.12146:14031 34.56349:11 152.99644:189 237.18504:14 255.23198:437 321.71436:21 465.10223:10 465.25497:26 483.27676:13 685.43713:22 716.63306:13 716.94763:19 717.00311:7 717.37:5 717.57666:13 718.06744:5 719.30975:12 719.46301:14 720.46777:34 721.01721:14 721.16357:21 721.35071:111 721.50177:23746 721.68292:94 721.8089:58 721.84808:62 721.91162:91 721.99286:57 722.07465:86 722.12921:42 722.18451:109 722.23193:43 722.2821:24 722.36493:42 722.43274:51 722.50549:441 722.60156:47 722.67664:23 722.76978:14 722.88513:29 722.97217:21 723.07635:13 723.18042:31 723.3363:23 723.41882:7 723.51862:5 723.55219:25 723.82916:11 724.05231:10 724.27228:11 724.32196:6 724.5545:8 724.66614:39 724.96381:10 728.98859:13 734.73761:12 742.90881:16 747.51434:8 825.57697:26 962.45117:11 963.5484:54 964.53546:30 1685.91565:12 61049 69084 80475 0 0 0 0 18704 20529 20449 19026 19636 22243 20977 0 3369 4874 3703 4902 5641 5407 100381 94347 74377 0 0 3981.87263997396 5316.78662109375 89701.6510416667 70202.50390625 20223.5471540179 0 0 790.192025325188 377.446851654291 13609.9710714496 9761.40669252006 1216.44041549977