Class Solvent blank Solvent blank Solvent blank Solvent blank IS before extraction IS before extraction IS before extraction IS before extraction IS before extraction IS before extraction IS after extraction IS after extraction IS after extraction IS after extraction IS after extraction IS after extraction NA NA NA NA NA NA File type Blank Blank Sample Sample Sample Sample Sample Sample Sample Sample Sample Sample Sample Sample Sample Sample NA NA NA NA NA NA Injection order 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 NA NA NA NA NA NA Batch ID 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Average Average Average 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 PostRun1 YILU0361-neg-1 YILU0361-neg-2 YILU0361-neg-3 YILU0370-neg-1 YILU0370-neg-2 YILU0370-neg-3 YILU0371-neg-1 YILU0371-neg-2 YILU0371-neg-3 YILU0372-neg-1 YILU0372-neg-2 YILU0372-neg-3 YILU0373-neg-1 YILU0373-neg-2 YILU0373-neg-3 Solvent blank IS before extraction IS after extraction Solvent blank IS before extraction IS after extraction 0 7.491 100.9338 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 5.21 YILU0370-neg-1 100.9338:5500 101.93715:521 102.94051:263 50669 123444 142690 68308 98804 48822 50921 42307 79736 34246 36253 36943 72613 39881 74598 26486 96278.025390625 59139.39453125 47795.6236979167 43797.0666874379 24797.0647372322 20503.9201394202 1 7.016 100.93394 Unknown [M-H]- 0.75 False null null null null null null 999 False False False False False null null null null null null null 7.27 YILU0370-neg-2 100.93394:6638 101.93729:544 102.94065:270 49809 50390 95231 53933 86198 90412 84864 81055 85192 78216 70739 73995 71126 77089 73942 72283 62340.828125 84322.8125 73195.6432291667 22002.5046405919 4233.74978616539 2345.37791886333 2 4.563 100.93404 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 6.19 YILU0370-neg-1 100.93404:5591 101.93739:804 102.94075:0 21235 24500 50705 20834 60969 55353 56736 52119 54759 52272 54464 47852 47406 52956 51313 47831 29318.5200195313 55367.986328125 50303.6002604167 14351.8435295878 3278.94040681365 3029.18483408986 3 6.7 112.9852 Unknown [M-H]- ion correlated with 46 0.062 False null null null null null null 999 False False False False False null null null null null null null 12.29 YILU0373-neg-2 112.9852:6899 113.98855:0 114.99191:0 77741 45818 26925 45765 18930 19400 18887 11857 11198 9261 9576 10769 10890 11333 79276 23461 49062.3115234375 14922.3168945313 24217.4451497396 21086.4961931362 4629.24055239479 27462.4920970249 4 3.064 112.98534 Unknown [M-H]- 0.062 True null null null null null null 999 False False False False False null null null null null null null 10.36 YILU0373-neg-2 112.98534:11080 113.98869:374 114.99205:0 68.99535:2387 112.98451:144 3108 7763 5359 11079 38310 32666 42313 34821 51874 8141 8104 34069 23855 27383 244174 39051 6827.11047363281 34687.4173177083 62772.8758138021 3412.70595200476 14665.9542648121 89497.2297723839 5 4.574 112.98543 Unknown [M-H]- ion correlated with 48 0.062 True null null null null null null 999 False False False False False null null null null null null null 12.54 YILU0373-neg-2 112.98543:10046 113.98878:350 114.99214:0 68.99547:2131 112.98723:64 9306 7238 38876 11060 28081 27714 26528 20089 12146 12968 12486 13541 13756 15366 131628 26999 16619.9379882813 21254.3673502604 35629.3009440104 14919.3806309953 7336.80248249745 47334.4724635194 6 7.599 115.25191 Unknown [M-H]- ion correlated with 9; similar chromatogram in higher mz_7; similar chromatogram in higher mz_8; similar chromatogram in higher mz_10; similar chromatogram in higher mz_9 0.75 False null null null null null null 999 False False False False False null null null null null null null 172.56 YILU0370-neg-1 115.25239:8309 116.25574:223 117.2591:0 0 0 0 0 63375 63897 65641 67962 67776 66243 66595 66592 65773 62987 62266 63717 0 65815.5989583333 64654.8216145833 0 1913.30226079257 1904.3208422605 7 7.598 115.45686 Unknown [M-H]- ion correlated with 8 0.75 False null null null null null null 999 False False False False False null null null null null null null 249.07 YILU0370-neg-1 115.45789:12565 116.46124:0 117.4646:0 0 0 0 0 95658 94758 92095 96815 97184 96668 96734 95060 98253 91888 88335 91008 0 95529.85546875 93546.2421875 0 1902.35240059474 3767.17887447815 8 7.598 115.6632 Unknown [M-H]- ion correlated with 7 0.75 False null null null null null null 999 False False False False False null null null null null null null 241.27 YILU0370-neg-1 115.66342:11963 116.66677:0 117.67013:0 0 0 0 0 90351 92303 91079 93405 92624 91544 93170 94955 93196 85342 86978 86081 0 91884.1731770833 89953.6106770833 0 1109.22312370837 4265.73694091162 9 7.599 115.86816 Unknown [M-H]- ion correlated with 6 0.75 False null null null null null null 999 False False False False False null null null null null null null 167.27 YILU0370-neg-1 115.86892:7990 116.87227:0 117.87563:0 0 0 0 0 61140 64294 63169 64438 63758 63687 65641 65689 65401 60064 59794 60007 0 63414.3932291667 62765.998046875 0 1203.93279712393 3082.09596100945 10 7.599 116.07368 Unknown [M-H]- 0.75 False null null null null null null 999 False False False False False null null null null null null null 85.63 YILU0372-neg-3 116.07368:4622 117.07703:0 118.08039:0 0 0 0 0 31221 32827 33263 33547 34382 33376 34592 33147 34970 31937 30668 30695 0 33102.6546223958 32668.1539713542 0 1053.903837865 1879.34511704752 11 0.892 121.02962 Unknown [M-H]- ion correlated with 44; ion correlated with 60; similar chromatogram in higher mz_20; similar chromatogram in higher mz_52; similar chromatogram in higher mz_229; similar chromatogram in higher mz_265 0.188 True null null null null null null 999 False False False False False null null null null null null null 118.71 YILU0370-neg-1 121.02962:7746 122.03297:710 123.03633:202 77.03978:1475 121.02935:242 24 124 35 49 48007 44364 47203 4934 4632 4852 2553 2235 1735 4578 3621 3832 57.8909773826599 25665.1589355469 3092.25278727214 45.1905556952716 22882.3813359169 1086.55128976849 12 6.733 123.98196 Unknown [M-H]- 0.062 False null null null null null null 999 False False False False False null null null null null null null 60.42 YILU0372-neg-2 123.98196:3021 124.98531:0 125.98867:0 0 0 0 0 14309 14623 13890 14180 14345 14401 14490 15540 14537 10023 10131 10429 0 14291.3058268229 12525.0201822917 0 244.461490896299 2583.87123764527 13 6.745 124.19399 Unknown [M-H]- ion correlated with 14 0.562 False null null null null null null 999 False False False False False null null null null null null null 75.82 YILU0370-neg-1 124.19468:3958 125.19803:0 126.20139:0 0 0 0 0 21501 20766 21115 21071 20054 20252 22128 21756 21628 14774 14933 15106 0 20793.0830078125 18387.6762695313 0 551.665162241556 3784.23001713828 14 6.745 124.40563 Unknown [M-H]- ion correlated with 722; ion correlated with 13 0.562 False null null null null null null 999 False False False False False null null null null null null null 72.3 YILU0371-neg-2 124.40636:3400 125.40971:0 126.41307:0 0 0 0 0 20320 20489 19946 20081 19560 19446 20460 21073 20033 13316 13394 14989 0 19973.7828776042 17210.7913411458 0 411.700499738968 3690.96149561699 15 1.021 127.00146 Unknown [M-H]- 0.312 True null null null null null null 999 False False False False False null null null null null null null 29.01 YILU0361-neg-1 127.00146:5847 128.00481:0 129.00817:0 44.99787:906 59.01412:424 1959 45914 31381 8860 24092 43381 43413 47404 48419 43038 9711 8430 10024 41228 23354 38603 22028.3976745605 41624.6800130208 21891.8497721354 20282.7696269274 8890.84804294828 15004.9087973639 16 14.142 127.00161 Unknown [M-H]- 0.438 True null null null null null null 999 False False False False False null null null null null null null 56.44 PostRun1 127.00161:9490 128.00496:0 129.00832:0 44.99788:1297 59.01404:252 398712 304409 599324 551515 415762 63774 87467 421512 253958 419065 380672 544127 260164 257868 196632 321667 463490.0703125 276923.012369792 326854.973958333 136262.035893213 168665.40643487 123527.467515598 17 14.203 127.00162 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 58.97 YILU0361-neg-1 127.00162:10960 128.00497:617 129.00833:0 44.99762:1482 59.01432:742 68.99518:71 126.90424:86 398712 274206 599324 551515 415762 58907 90714 421512 179911 419065 380672 544127 222467 116449 196632 321667 455939.3671875 264311.74609375 297002.29296875 148319.014364836 173809.501761908 152910.912083629 18 0.871 129.01927 Unknown [M-H2O-H]- similar chromatogram in higher mz_286; similar chromatogram in higher mz_328; similar chromatogram in higher mz_322; adduct linked to 130_[2M+Hac-H]- 0.188 False null null null null null null 999 False False False False False null null null null null null null 86.71 YILU0372-neg-3 129.01927:4442 130.02262:210 131.02598:350 0 40 43 133 18358 18589 17920 14389 12705 13770 33696 33049 34685 20709 19424 20165 53.9527721405029 15955.1350911458 26954.87109375 56.2335471691083 2621.54934219677 7538.70512831697 19 0.87 132.04185 Unknown [M+FA-H]- ion correlated with 43; ion correlated with 143; adduct linked to 28_[M+Hac-H]-; similar chromatogram in higher mz_43; similar chromatogram in higher mz_286; similar chromatogram in higher mz_322; similar chromatogram in higher mz_328; found in higher mz's MsMs_43 0.75 True null null null null null null 999 False False False False False null null null null null null null 249.68 YILU0371-neg-1 132.04181:5347 133.04516:486 134.04852:0 72.00915:489 89.03567:946 0 0 0 0 15596 15409 15486 26508 29269 26969 166794 165120 157811 63570 63897 62583 0 21539.5372721354 113295.623697917 0 6685.11734020049 54797.9770412967 20 0.9 133.01437 Unknown [M-H2O-H]- ion correlated with 74; ion correlated with 41; adduct linked to 122_[2M+FA-H]-; similar chromatogram in higher mz_59; similar chromatogram in higher mz_124; similar chromatogram in higher mz_143; similar chromatogram in higher mz_265; similar chromatogram in higher mz_263 0.562 True null null null null null null 999 False False False False False null null null null null null null 93.29 YILU0372-neg-1 133.01437:14532 134.01772:457 135.02108:5205 43.01864:243 71.01367:1032 72.00898:51 72.99269:433 87.00805:73 89.02363:340 96.96852:60 115.00379:1818 132.86626:70 132.99742:63 133.01427:873 439 357 197 85 33171 34689 37030 19563 18130 18518 99023 96818 98386 38812 36025 36470 269.435640335083 26850.2783203125 67589.08203125 158.967635298696 8984.59152478248 33417.8787809498 21 1.368 134.89439 Unknown [M-H]- 0.188 True null null null null null null 999 False False False False False null null null null null null null 218.08 YILU0361-neg-1 134.89439:15346 135.89774:1406 136.9011:4687 99.92358:111 134.89429:5376 0 113856 71026 57480 8404 12608 4289 10481 10932 6804 0 0 0 4674 7401 7825 60590.54296875 8919.85904947917 3316.75838216146 46999.9531348576 3042.50471880492 3790.85699556785 22 0.846 134.89445 Unknown [M-H]- 0.75 True null null null null null null 999 False False False False False null null null null null null null 110.24 YILU0370-neg-1 134.89461:6240 135.89796:802 136.90132:2225 56.99837:64 59.01253:124 72.99463:75 75.0086:276 99.92464:70 134.89467:1978 135.02818:82 48 6071 2629 2159 47350 48918 41995 51318 48746 44764 33598 33029 35284 42352 41751 43933 2727.07747840881 47181.8912760417 38324.3990885417 2496.00308753723 3327.04822807194 4879.50118518665 23 0.859 135.03011 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 112.69 YILU0370-neg-2 135.03027:3917 136.03362:350 137.03698:764 56.99859:58 59.0129:83 75.00856:902 134.86627:76 134.89418:2893 135.02985:423 0 0 0 0 21336 21534 24889 11612 13579 12078 54633 52686 50773 18698 17521 18880 0 17504.6389973958 35531.87109375 0 5745.15078304914 18849.0910766453 24 6.633 141.01714 Unknown [M-H]- 0.062 False null null null null null null 999 False False False False False null null null null null null null 7.3 YILU0371-neg-2 141.01714:5781 142.02049:0 143.02385:0 131029 99993 117425 146592 96907 59668 51994 92703 75120 54893 95278 57996 62307 100510 99390 98840 123759.703125 71880.8717447917 85720.26171875 19825.4865966243 19512.3289947708 19929.416567552 25 1.021 141.0174 Unknown [M-H]- found in higher mz's MsMs_112 0.938 True null null null null null null 999 False False False False False null null null null null null null 92.39 YILU0361-neg-1 141.01733:45230 142.02068:1913 143.02404:225 59.01401:13721 25000 375403 278878 174754 653333 644855 633008 605998 599360 603760 359855 370694 364303 615853 600490 601271 213509.020019531 623385.84375 485411.109375 150022.67937461 23302.7942288698 132116.078846874 26 14.114 141.01752 Unknown [M-H]- 1 True null null null null null null 999 False False False False False null null null null null null null 126.18 PostRun1 141.01743:64477 142.02078:2091 143.02414:287 59.014:15348 59.04461:69 83.01178:53 2268839 2925790 2351540 3856019 2565690 3952552 4095562 2302696 2199463 2362222 2408392 2623853 2520794 4048062 2292268 2509292 2850547.0625 2913030.66666667 2733776.54166667 731215.532830476 870023.737362143 653603.751753469 27 1.127 142.97493 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 55.28 YILU0373-neg-3 142.97493:3783 143.97828:0 144.98164:0 0 0 0 0 41523 44069 43660 42565 42371 44293 63258 62273 59277 48917 48500 50338 0 43080.2298177083 55427.3372395833 0 1093.56307765026 6917.8529496381 28 0.869 146.04649 Unknown [M+Hac-H]- ion correlated with 69; ion correlated with 74; ion correlated with 230; ion correlated with 122; adduct linked to 19_[M+FA-H]- 0.562 True null null null null null null 999 False False False False False null null null null null null null 169.91 YILU0372-neg-1 146.04633:14945 147.04968:1071 148.05304:852 41.03921:61 80.94384:77 84.04526:85 102.03435:121 102.05605:3748 116.03413:115 128.03603:1115 146.0464:947 0 0 0 0 10538 9254 9626 18117 17887 17027 85170 87979 83207 37438 37788 37999 0 13741.7867838542 61596.8515625 0 4346.51752500086 26176.7015055254 29 0.878 147.0302 Unknown [M-H2O-H]- adduct linked to 41_[M-H]- 0.188 False null null null null null null 999 False False False False False null null null null null null null 38.55 YILU0372-neg-3 147.0302:3706 148.03355:0 149.03691:1074 20 0 0 0 10696 10785 9659 9202 8388 7977 23457 24810 25333 14596 13957 14345 5.08945322036743 9451.24332682292 19416.3100585938 10.1789064407349 1160.74595456548 5642.26263932253 30 0.838 152.9856 Unknown [M-H]- 0.062 False null null null null null null 999 False False False False False null null null null null null null 65.04 YILU0373-neg-1 152.9856:3252 153.98895:0 154.99231:689 0 0 0 0 2629 3143 3080 617 630 453 5582 4862 5206 17337 15732 14173 0 1758.50854492188 10481.9969889323 0 1319.08136915951 5858.38643180458 31 1.078 156.9913 Unknown [M-H]- 0.75 True null null null null null null 999 False False False False False null null null null null null null 653.35 YILU0370-neg-1 156.99167:64040 157.99502:2453 158.99838:4876 59.01416:22111 59.05468:88 144 2562 149 419 710960 729927 729127 651828 661802 690964 1354382 1333288 1349242 885209 872415 860964 818.398761749268 695768.145833333 1109250.14583333 1169.22810079979 33519.8486499433 259156.210113604 32 0.928 157.0369 Unknown [M-H]- ion correlated with 152; ion correlated with 59 0.188 False null null null null null null 999 False False False False False null null null null null null null 56.19 YILU0372-neg-1 157.0369:7408 158.04025:556 159.04361:0 0 0 0 0 6275 5796 6485 8945 9691 10893 40644 40390 38314 17327 18147 18067 0 8014.32543945313 28814.8694661458 0 2109.32359028556 12045.1817529324 33 1.289 157.1236 w/o MS2:FA 9:0 [M-H]- similar chromatogram in higher mz_117; similar chromatogram in higher mz_81; similar chromatogram in higher mz_272 0.75 False 2.81 157.1234 C9H18O2 FA FBUKVWPVBMHYJY-UHFFFAOYSA-N O=C(O)CCCCCCCC 530 True True False False False null null 100 100 null null null 58.1 YILU0371-neg-2 157.1236:6891 158.12695:668 159.13031:0 440 958 632 380 47374 48076 48048 55737 56818 54197 37939 43312 44696 47440 48306 47531 602.610504150391 51708.4173177083 44870.6106770833 260.354786386781 4333.85261376041 3898.45906154692 34 7.459 158.97534 w/o MS2:RIKEN N-VS1 ID-104 from Mouse_Macrophage_WT_N_F1 [M-H]- 0.5 False 13.05 158.9751 Unknown 530 True True False False False null null 100 99.8 null null null 6.54 YILU0370-neg-1 158.97534:6413 159.97869:625 160.98205:0 119764 182169 45955 96960 113049 54719 51164 55537 92761 40446 89711 47460 89785 50525 51468 90710 111211.947265625 67946.166015625 69943.3287760417 56478.8078349143 28343.9126777249 22088.9361341115 35 13.382 158.97539 w/o MS2:RIKEN N-VS1 ID-104 from Mouse_Macrophage_WT_N_F1 [M-H]- 0.062 True 13.05 158.9751 Unknown 530 True True False False False null null 79.4 100 null null null 6.95 YILU0361-neg-1 158.97539:15871 159.97874:1478 160.9821:397 84.93834:59 100.93373:6107 116.92858:348 241888 333774 418728 294445 332289 250499 174138 329677 307355 92008 381966 446833 268455 206238 193790 112366 322208.82421875 247660.979166667 268274.700520833 74547.0910571798 97049.8965174916 125310.01162536 36 4.566 158.97548 w/o MS2:RIKEN N-VS1 ID-104 from Mouse_Macrophage_WT_N_F1 [M-H]- 0.375 False 13.05 158.9751 Unknown 530 True True False False False null null 99.9 99.6 null null null 5.64 YILU0370-neg-1 158.97548:5534 159.97883:824 160.98219:0 5930 39553 39413 21417 57717 56436 54768 56382 50529 51172 55319 51880 49790 52004 54644 52040 26578.1818847656 54500.6998697917 52612.8125 16187.1513560513 2985.14569358291 2032.5121179904 37 7.013 158.97551 w/o MS2:RIKEN N-VS1 ID-104 from Mouse_Macrophage_WT_N_F1 [M-H]- 0.75 False 13.05 158.9751 Unknown 530 True True False False False null null 99.9 99.8 null null null 7.74 YILU0370-neg-2 158.97551:7442 159.97886:973 160.98222:436 47513 86183 50176 91534 102150 105047 99361 98072 104921 99985 93485 93588 92729 104097 96688 99120 68851.7373046875 101589.294270833 96617.6692708333 23230.5029370434 2942.01771742627 4388.92042671963 38 1.085 158.98926 Unknown [M-H]- ion correlated with 227 0.312 True null null null null null null 999 False False False False False null null null null null null null 6.49 YILU0372-neg-1 158.98956:5502 159.99291:316 160.99627:0 84.93691:56 100.93359:1603 158.93874:82 0 0 0 0 43119 41717 41568 38722 38406 39519 74537 72562 78512 51068 52429 47673 0 40508.626953125 62796.923828125 0 1896.77737743148 13812.7035131915 39 0.839 160.06107 Unknown [M-H]- ion correlated with 53; ion correlated with 190 0.188 False null null null null null null 999 False False False False False null null null null null null null 67.65 YILU0372-neg-3 160.06107:3510 161.06442:0 162.06778:0 0 0 0 0 3954 5018 4204 3774 3432 4427 18926 17955 19446 8407 7317 7516 0 4134.70878092448 13260.9487304688 0 552.71052215379 6070.85464973479 40 0.879 165.01996 Unknown [M-H]- 0.188 True null null null null null null 999 False False False False False null null null null null null null 317.69 YILU0370-neg-1 165.01996:24045 166.02331:2918 167.02667:315 59.01443:69 73.02998:70 75.00868:479 77.04023:5271 87.00937:488 99.00818:82 101.0252:65 105.01958:288 120.99967:86 121.0298:5705 147.02937:165 164.83508:53 165.02077:394 165.03931:740 56 27 75 36 139719 133657 132496 3783 4210 4425 517 624 141 7063 8289 7765 48.6388187408447 69714.9357096354 4066.26115671794 21.207513155099 71876.6502751682 4008.62157664391 41 0.884 165.04027 Unknown [M-H]- ion correlated with 20; similar chromatogram in higher mz_229; similar chromatogram in higher mz_52; similar chromatogram in higher mz_230; similar chromatogram in higher mz_190; similar chromatogram in higher mz_265; similar chromatogram in higher mz_290; similar chromatogram in higher mz_729; adduct linked to 29_[M-H2O-H]- 0.438 True null null null null null null 999 False False False False False null null null null null null null 114.34 YILU0372-neg-2 165.04027:13114 166.04362:704 167.04698:252 43.01756:64 57.02922:52 59.01441:135 75.0085:553 77.03841:69 87.00898:452 89.02624:52 99.0078:469 101.02537:155 105.01951:680 119.02827:68 121.02999:120 129.01904:146 147.02992:206 164.83778:83 165.02057:74 165.04057:1425 0 0 0 0 36489 37734 35533 16343 18557 16351 83417 85143 84103 37735 36774 35687 0 26834.3676757813 60476.5768229167 0 10734.782577887 26024.8491974529 42 1.408 171.13933 FA 10:0 [M-H]- 0.75 True 3.13 171.1391 C10H20O2 FA GHVNFZFCNZKVNT-UHFFFAOYSA-N O=C(O)CCCCCCCCC 410 True True True False False null null 100 100 75 75 100 39.71 YILU0372-neg-2 171.1394:4714 172.14275:477 173.14611:0 171.13901:655 327 67 40 43 35735 33169 32705 45557 47355 42526 37558 38099 41001 35528 38403 35676 119.325880050659 39507.9293619792 37710.8522135417 139.163971126247 6449.52058779565 2019.10458306065 43 0.87 175.0473 Unknown [M-H]- ion correlated with 19; ion correlated with 230; ion correlated with 122; ion correlated with 143 0.625 True null null null null null null 999 False False False False False null null null null null null null 142.62 YILU0371-neg-1 175.0477:4854 176.05105:607 177.05441:516 72.00908:417 89.03577:3599 115.01351:295 132.04161:874 138.9334:60 154.94759:225 156.92865:53 174.82539:85 174.8613:104 175.06285:53 0 0 0 0 14007 14064 13215 24262 23743 24896 133238 134404 135029 56700 56371 53965 0 19031.0109049479 94951.205078125 0 5791.46261520997 43034.8545670743 44 0.879 181.01483 Unknown [M-H]- ion correlated with 11; ion correlated with 60 0.188 False null null null null null null 999 False False False False False null null null null null null null 32.23 YILU0370-neg-3 181.01483:4625 182.01818:600 183.02154:490 922 332 753 210 26947 28456 28450 8669 8066 8028 8846 7446 7843 9875 10640 11327 554.267997741699 18102.4831542969 9329.56046549479 338.197651855204 10804.6744530107 1549.02263908233 45 7.529 182.98808 Unknown [M-H]- 0.062 True null null null null null null 999 False False False False False null null null null null null null 31.11 YILU0373-neg-2 182.98808:9349 183.99143:553 184.99479:0 68.9952:1458 112.98529:3335 35699 15101 63588 16044 17804 15552 16383 9383 8166 7403 7540 8134 8778 9488 83764 18335 32608.0954589844 12448.5960286458 22673.0689290365 22731.4860579533 4625.88549149327 30193.5774674002 46 6.7 182.9882 Unknown [M-H]- ion correlated with 3 0.062 False null null null null null null 999 False False False False False null null null null null null null 27.07 YILU0373-neg-2 182.9882:8196 183.99155:0 184.99491:0 17528 20011 142812 43066 16673 15506 16419 8754 5706 5582 5713 4713 5469 8164 79820 20026 55854.1650390625 11440.0279134115 20650.578125 59100.8966860845 5349.96519420622 29546.3040572814 47 6.24 182.98827 Unknown [M-H]- 0.062 False null null null null null null 999 False False False False False null null null null null null null 17.52 YILU0373-neg-2 182.98827:5635 183.99162:0 184.99498:0 36146 23592 146857 43826 16153 17192 15968 7989 4149 6272 5551 5463 5019 2005 78215 16976 62605.1997070313 11287.1180826823 18871.3707478841 56783.5553154598 5787.05963832641 29525.9270915852 48 4.574 182.98845 Unknown [M-H]- ion correlated with 5 0.062 True null null null null null null 999 False False False False False null null null null null null null 30.81 YILU0373-neg-2 182.98845:12405 183.9918:420 184.99516:0 68.99554:4773 112.98537:442 10921 7123 193235 29599 29112 27188 26982 21254 12867 11544 12655 9893 10935 13167 162202 28463 60219.6066894531 21491.3211263021 39552.7827148438 89219.6204411533 7669.140243791 60471.7829039842 49 0.965 183.10316 Unknown [M-H]- 0.562 True null null null null null null 999 False False False False False null null null null null null null 36.7 YILU0370-neg-1 183.10303:8374 184.10638:1745 185.10974:712 43.01791:76 57.0299:86 59.0141:76 68.9932:91 112.98567:407 124.01415:57 139.11301:354 155.10744:373 182.85754:67 183.00635:51 183.03319:52 183.10245:1708 0 0 0 0 47612 48633 44565 56337 61640 60022 9119 8247 10516 35598 35028 38724 0 53134.736328125 22872.1359049479 0 7130.77177322627 14944.6141527484 50 1.574 185.15431 FA 11:0 [M-H]- similar chromatogram in higher mz_115 0.562 True 3.69 185.15469 C11H22O2 FA ZDPHROOEEOARMN-UHFFFAOYSA-N O=C(O)CCCCCCCCCC 410 True True True False False null null 100 100 75 75 100 132.46 YILU0372-neg-2 185.15459:7112 186.15794:1132 187.1613:0 185.1534:2257 0 0 0 0 22417 22816 21620 54533 60976 58435 50629 50528 50906 34309 34014 31686 0 40132.9091796875 42012.0930989583 0 19663.5215635503 9547.85900242864 51 4.288 189.09181 Unknown [M-H]- similar chromatogram in higher mz_222; found in higher mz's MsMs_222 0.188 False null null null null null null 999 False False False False False null null null null null null null 68.7 YILU0370-neg-2 189.09181:3486 190.09516:663 191.09852:0 0 0 0 0 26440 26486 25954 22376 21519 23047 13103 11099 13193 15233 14599 15733 0 24303.5940755208 13826.7163085938 0 2240.72729182329 1707.26763016978 52 0.892 191.02014 Unknown [M-H]- 0.938 True null null null null null null 999 False False False False False null null null null null null null 218.01 YILU0370-neg-1 191.01953:11047 192.02288:717 193.02624:1597 57.03297:92 59.01437:72 71.01376:91 85.02954:750 87.00927:980 89.02303:65 99.00939:50 111.00905:1732 129.01862:174 173.01279:60 191.01907:106 27 7196 7763 6926 72333 76533 84353 92709 90215 90522 122109 126081 126224 126704 118299 125739 5477.87624406815 84444.0677083333 124192.677083333 3650.71703784541 8340.52507276933 3330.61552522529 53 0.852 193.07175 Unknown [M-H]- ion correlated with 39; ion correlated with 130; ion correlated with 190 0.125 False null null null null null null 999 False False False False False null null null null null null null 63.42 YILU0372-neg-3 193.07175:3194 194.0751:413 195.07846:0 0 0 0 0 3935 4329 4354 3296 3799 3719 19442 17934 19754 7160 7584 7291 0 3905.48502604167 13194.3736979167 0 399.968952468297 6438.33080636948 54 1.264 197.11876 Unknown [M-H]- similar chromatogram in higher mz_117; similar chromatogram in higher mz_109 0.75 True null null null null null null 999 False False False False False null null null null null null null 180.2 YILU0370-neg-1 197.11838:10215 198.12173:1019 199.12509:0 97.06694:172 111.07818:60 137.09702:52 153.10333:55 153.12885:2873 179.1086:400 179.14658:52 197.11772:185 0 0 0 0 77183 82278 73981 90019 91412 84913 81118 86974 95127 78353 81485 78708 0 83297.5403645833 83627.421875 0 6911.87590607654 6424.13461786315 55 1.789 199.17088 FA 12:0 [M-H]- 0.75 True 4.34 199.17039 C12H24O2 FA POULHZVOKOAJMA-UHFFFAOYSA-N O=C(O)CCCCCCCCCCC 410 True True True False False null null 100 100 88 75 100 709.88 YILU0373-neg-3 199.17075:41446 200.1741:6240 201.17746:505 199.12753:80 199.17061:11685 199.21283:110 62 248 101 194 185887 181734 187814 797169 793291 811364 701305 668592 659769 271538 275411 270348 151.203620910645 492876.455729167 474493.802083333 85.381794447551 337162.51545285 221785.951545561 56 0.965 207.10333 Unknown [M-H]- 0.562 True null null null null null null 999 False False False False False null null null null null null null 490.1 YILU0370-neg-1 207.10333:30915 208.10668:8399 209.11004:1402 43.01908:728 51.02302:92 59.01428:558 67.05391:67 69.0346:699 83.05062:169 93.03461:64 95.05014:274 106.04166:59 107.08682:320 108.05801:56 109.06614:406 117.07156:152 119.04988:85 121.06871:92 135.05853:51 145.10268:250 147.08374:58 161.09654:85 163.11264:1857 189.08965:74 207.10355:190 0 0 0 0 166049 162784 146800 159214 172659 169101 16862 17133 16020 76991 77903 84729 0 162767.802083333 48273.0055338542 0 9124.55231398404 34722.8299784212 57 1.028 211.1335 Unknown [M-H]- similar chromatogram in higher mz_112 0.562 True null null null null null null 999 False False False False False null null null null null null null 127.15 YILU0370-neg-1 211.1338:6074 212.13715:1497 213.14051:0 46.92424:54 183.14037:189 193.12193:132 211.13332:2629 0 0 0 0 53862 55718 57685 70513 68278 67178 17957 18759 16068 42436 42929 42662 0 62205.619140625 30135.1178385417 0 7248.92664934701 13766.0451923658 58 2.045 213.18625 FA 13:0 [M-H]- 0.75 True 4.7 213.186 C13H26O2 FA SZHOJFHSIKHZHA-UHFFFAOYSA-N O=C(O)CCCCCCCCCCCC 410 True True True False False null null 100 100 75 75 100 450.52 YILU0371-neg-1 213.18604:30501 214.18939:4274 215.19275:257 44.99829:72 213.11821:57 213.18579:9379 0 0 0 0 70806 70839 66529 216237 226729 231601 217238 211242 212974 112269 108873 114553 0 147123.48828125 162858.341145833 0 85310.2819738974 55886.8776876022 59 0.912 215.03275 Unknown [M-H]- ion correlated with 152; ion correlated with 32 0.25 True null null null null null null 999 False False False False False null null null null null null null 153.77 YILU0372-neg-2 215.03275:9514 216.0361:1144 217.03946:4704 34.96884:314 59.01456:72 71.01449:57 87.00975:65 89.02306:180 116.99682:72 125.09687:76 153.06525:52 179.05586:67 215.02654:74 215.0658:53 215.09093:101 215.12704:88 0 0 0 0 10169 9814 11236 6376 8092 8090 52111 53493 51174 15561 18232 16538 0 8962.90299479167 34518.0167643229 0 1763.75875477494 19467.2889037503 60 0.917 217.04831 Unknown [M-H]- ion correlated with 40; ion correlated with 11 0.188 True null null null null null null 999 False False False False False null null null null null null null 106.05 YILU0370-neg-1 217.04839:10904 218.05174:1247 219.0551:6052 34.96876:303 36.96622:91 40.02007:51 44.99733:55 59.01319:80 78.98484:64 81.03377:53 111.08198:61 137.02554:222 0 0 0 0 60169 60196 68031 2417 878 1416 258 974 223 3844 3653 3448 0 32184.481068929 2066.58293406169 0 33661.7299089281 1757.55950036551 61 0.917 219.0459 Unknown [M-H]- 0.188 False null null null null null null 999 False False False False False null null null null null null null 67.85 YILU0370-neg-3 219.0459:3740 220.04925:313 221.05261:624 0 0 0 0 18309 18589 20671 935 1380 888 2425 2588 1811 1693 1614 1566 0 10128.6891988118 1949.63271077474 0 9960.88199614625 442.219662274047 62 0.943 221.08188 Unknown [M-H]- similar chromatogram in higher mz_65 0.188 False null null null null null null 999 False False False False False null null null null null null null 60.72 YILU0370-neg-3 221.08188:3644 222.08523:484 223.08859:465 0 0 0 0 21170 20781 22323 11321 10775 11627 6508 5884 5315 11371 9267 10804 0 16333 8191.55086263021 0 5607.54773499378 2627.77551686584 63 1.01 223.01974 Unknown [M-H]- 0.188 False null null null null null null 999 False False False False False null null null null null null null 18.61 YILU0371-neg-2 223.01974:3286 224.02309:299 225.02645:0 94 15498 10636 6729 25140 24313 26259 23978 25899 25192 4407 6303 5649 21892 22848 21582 8239.42845916748 25130.2747395833 13780.1730143229 6507.70634332273 879.021990828562 9151.85580055594 64 0.944 225.11333 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 67.38 YILU0371-neg-3 225.11333:3462 226.11668:597 227.12004:6493 0 0 0 0 12736 12202 13840 17721 18948 20070 4536 4926 5220 10543 9942 12075 0 15919.3803710938 7873.75805664063 0 3403.61861801425 3344.64819342365 65 0.932 226.9964 Unknown [M-H]- 0.75 True null null null null null null 999 False False False False False null null null null null null null 150.34 YILU0370-neg-1 226.99637:7490 227.99972:1050 229.00308:4598 34.96876:132 57.03501:522 60.99456:55 83.0145:95 85.02917:244 87.00964:60 99.00883:1299 110.99595:79 111.00908:392 112.98779:613 129.01886:340 142.9978:218 165.12971:118 173.0089:331 183.13994:436 191.01665:126 209.11789:485 226.99686:156 227.12828:343 0 0 0 0 40024 39872 48406 55836 52936 50179 72352 73460 74551 85147 91324 88238 0 47875.6119791667 80845.3294270833 0 6637.19651608045 8357.54849146815 66 0.923 227.12926 Unknown [M+FA-H]- adduct linked to 71_[M+Hac-H]- 0.688 True null null null null null null 999 False False False False False null null null null null null null 25.12 YILU0371-neg-2 227.12885:4431 228.1322:636 229.13556:911 41.99882:50 57.03531:262 85.02882:93 99.00869:1036 111.00931:164 112.98794:208 129.01994:166 165.1272:85 173.01042:256 183.13956:343 209.11832:767 226.99387:77 227.0368:74 227.12932:101 0 0 0 0 20396 19465 23603 32533 31421 31967 20953 21999 19669 29941 31043 31007 0 26564.2672526042 25768.5690104167 0 6092.85564486139 5427.07159016953 67 2.371 227.20239 FA 14:0 [M-H]- 0.75 True 5.3 227.20171 C14H28O2 FA TUNFSRHWOTWDNC-UHFFFAOYSA-N O=C(O)CCCCCCCCCCCCC 410 True True True False False null null 100 100 75 75 100 385.15 YILU0373-neg-3 227.20181:32338 228.20516:5271 229.20852:576 183.14261:51 227.20175:13431 307 950 557 390 222765 223558 217317 694463 695692 688452 604692 608614 621703 240090 227957 244798 550.865562438965 457041.2265625 424642.5859375 285.486201465536 258356.984366521 205029.164792641 68 0.933 228.99338 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 86.97 YILU0373-neg-2 228.99338:5128 229.99673:556 231.00009:0 0 0 0 47 14288 13579 16150 19796 15998 15718 22532 23407 23301 26306 27490 25258 11.6327657699585 15921.3291015625 24715.5208333333 23.265531539917 2157.06102998404 1949.23813759407 69 0.837 235.08267 Unknown [M-H]- ion correlated with 74; ion correlated with 28; ion correlated with 43; ion correlated with 230 0.688 True null null null null null null 999 False False False False False null null null null null null null 159.83 YILU0370-neg-2 235.08215:3895 236.0855:590 237.08886:274 55.01287:56 57.03019:75 59.0141:485 81.03439:53 99.00028:66 143.03502:97 0 0 0 0 19532 20590 21267 16230 17060 16197 88357 82474 87554 33155 32480 34423 0 18479.0978190104 59740.5126953125 0 2263.42526344586 28983.4785431178 70 1.04 238.99358 Unknown [M+Hac-H]- similar chromatogram in higher mz_118; adduct linked to 179_[2M+Hac-H]- 0.75 True null null null null null null 999 False False False False False null null null null null null null 37.9 YILU0370-neg-1 238.99368:6049 239.99703:449 241.00039:428 59.01373:2588 141.01701:133 0 0 0 0 55376 57958 57997 50268 53647 53199 47223 48474 49465 61996 62090 61894 0 54740.7805989583 55190.3567708333 0 2997.80831965137 7486.35996605407 71 0.927 241.14468 Unknown [M+Hac-H]- adduct linked to 66_[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 87.67 YILU0371-neg-1 241.14468:8461 242.14803:1136 243.15139:0 135.10194:72 197.15448:3286 198.16222:51 241.14291:157 47 0 0 0 24135 24826 26813 52118 52109 52826 20082 20516 20162 44094 42211 45544 11.7519378662109 38804.5390625 32101.4908854167 23.5038757324219 14867.9000135628 13022.5842178016 72 2.748 241.21777 FA 15:0 [M-H]- 0.75 True 5.96 241.2173 C15H30O2 FA WQEPLUUGTLDZJY-UHFFFAOYSA-N O=C(O)CCCCCCCCCCCCCC 410 True True True False False null null 100 99.9 75 75 100 224.54 YILU0373-neg-1 241.2173:11550 242.22065:2417 243.22401:274 241.21651:4230 63 202 53 88 109317 105055 106669 266179 273661 271990 251797 250154 249883 106753 101749 100831 101.650897979736 188811.740885417 176861.08984375 68.5976865303571 89650.3396382749 80816.965234633 73 0.881 243.12358 Unknown [M-H]- 0.562 False null null null null null null 999 False False False False False null null null null null null null 75.84 YILU0371-neg-2 243.12358:4436 244.12693:656 245.13029:528 0 0 0 0 13729 13796 13467 24755 27935 26512 19866 20591 20758 26488 24643 25141 0 20032.3328450521 22914.3694661458 0 7049.22230000254 2830.4382006144 74 0.868 245.04211 Unknown [M-H]- ion correlated with 69; ion correlated with 28; ion correlated with 20; ion correlated with 122 0.375 True null null null null null null 999 False False False False False null null null null null null null 207.26 YILU0372-neg-1 245.04211:15934 246.04546:1412 247.04882:475 59.01425:210 78.95929:4738 79.95792:1025 80.96566:448 82.97037:75 94.98121:613 96.96859:136 119.05003:57 0 0 0 0 15495 15582 13554 13018 12619 12861 98969 96215 93126 29176 31487 31799 0 13854.8440755208 63462.0319010417 0 1339.95732155171 35816.1591219456 75 1.765 249.1866 FA 16:3 [M-H]- similar chromatogram in higher mz_608 0.75 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 69.3 75 100 632.57 YILU0370-neg-2 249.18611:37611 250.18946:8236 251.19282:690 59.01426:215 67.05473:65 205.19524:119 231.16843:73 248.97185:693 249.18553:10286 0 0 0 0 256746 262782 278766 229266 241237 247402 163252 156189 155693 178615 179629 176124 0 252699.861979167 168250.473958333 0 17355.5423732132 11198.6636760405 76 2.091 251.20245 FA 16:2 [M-H]- similar chromatogram in higher mz_692 0.75 True 5.18 251.20171 C16H28O2 FA RVEKLXYYCHAMDF-UHFFFAOYSA-N O=C(O)CCCCCCCC=CCC=CCCC 410 True True True False False null null 100 100 75 75 100 1870.43 YILU0373-neg-3 251.20187:85044 252.20522:18262 253.20858:1250 59.01449:111 233.17818:52 233.19408:55 251.12959:59 251.2019:27274 251.35979:67 0 0 0 0 744533 746386 753548 760419 745289 764653 533940 526454 545052 610818 586544 592581 0 752471.291666667 565898.302083333 0 8536.36746969132 35121.9107719903 77 2.544 253.21745 FA 16:1 [M-H]- similar chromatogram in higher mz_797; similar chromatogram in higher mz_430; similar chromatogram in higher mz_436 0.75 True 5.71 253.2173 C16H30O2 FA SECPZKHBENQXJG-UHFFFAOYSA-N O=C(O)CCCCCCCC=CCCCCCC 410 True True True False False null null 100 100 75 75 100 220.98 YILU0370-neg-1 253.21733:24976 254.22068:4469 255.22404:2372 253.1658:74 253.2166:8923 0 0 0 113 210440 218103 215186 188427 193156 192930 149125 148512 155945 163957 154705 158710 28.2446880340576 203040.278645833 155159.049479167 56.4893760681152 12981.6852950813 5855.48367171562 78 1.073 254.96797 Unknown [M+Hac-H]- adduct linked to 189_[2M+Hac-H]- 0.75 True null null null null null null 999 False False False False False null null null null null null null 105.31 YILU0372-neg-1 254.96797:10334 255.97132:359 256.97468:1076 58.92716:90 59.0141:6769 156.97614:81 0 0 0 0 41335 45464 45486 39074 37311 38926 115860 108662 110807 57961 57679 54728 0 41266.00390625 84282.95703125 0 3503.16943736886 30229.0379037201 79 3.17 255.23407 FA 16:0 [M-H]- adduct linked to 220_[2M-H]-; similar chromatogram in higher mz_195; similar chromatogram in higher mz_228; similar chromatogram in higher mz_252; found in higher mz's MsMs_252; found in higher mz's MsMs_195; found in higher mz's MsMs_119; similar chromatogram in higher mz_125; found in higher mz's MsMs_228; found in higher mz's MsMs_125 0.75 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 1162.99 YILU0373-neg-3 255.23363:352137 256.23698:79197 257.24034:6992 44.99736:138 237.2204:51 255.23344:151253 255.71844:79 13110 35296 7223 8426 3396537 3406946 3368297 3591045 3580914 3568208 3282592 3235290 3302454 2820604 2730095 2756016 16013.8004150391 3485324.625 3021175.29166667 13103.4449412607 104791.157417712 278771.283073841 80 1.1 263.16516 w/o MS2:FA 16:4;(2OH) [M-H]- 0.562 True 3.93 263.16531 C16H24O3 OxFA JYRQACBCTDZBAV-UHFFFAOYSA-N O=C(O)C(O)CC=CCC=CCC=CCC=CCC 530 True True False False False null null 100 100 null null null 111.78 YILU0371-neg-3 263.16516:6720 264.16851:1144 265.17187:435 59.01426:189 165.1275:281 219.1769:63 263.16486:1367 0 0 0 0 56968 59968 60429 66051 68281 68155 23370 24522 24716 46744 46714 46099 0 63308.8893229167 35360.9996744792 0 4803.86320771869 12233.9512010397 81 1.273 265.14731 w/o MS2:Dodecyl sulfate [M-H]- 0.188 False 4.548 265.14792 C12H26O4S Others MOTZDAYCYVMXPC-UHFFFAOYSA-N CCCCCCCCCCCCOS(O)(=O)=O 530 True True False False False null null 99.8 99.9 null null null 122.71 YILU0370-neg-2 265.14731:7135 266.15066:763 267.15402:297 241 334 27 156 47472 56699 35018 9130 9766 7672 3867 4732 5437 6669 7103 7043 189.523746490479 27626.2453613281 5808.46016438802 130.509794279493 21693.4321531108 1342.1625453592 82 1.266 267.19699 w/o MS2:FA 16:2;(2OH) [M-H]- similar chromatogram in higher mz_105; similar chromatogram in higher mz_109 0.188 False 4.96 267.19659 C16H28O3 OxFA RJHVFFBCDUWLPU-UHFFFAOYSA-N O=C(O)C(O)CCCCCCC=CCC=CCCC 530 True True False False False null null 99.9 99.9 null null null 64.86 YILU0371-neg-2 267.19699:3424 268.20034:608 269.2037:0 0 0 0 0 27080 26100 24268 26816 28807 24535 12535 13781 14901 20642 20453 22278 0 26267.69140625 17431.6095377604 0 1699.25110805038 4162.52929343774 83 2.914 267.23248 w/o MS2:FA 17:1 [M-H]- ion correlated with 437 0.625 False 5.96 267.233 C17H32O2 FA QSBYPNXLFMSGKH-UHFFFAOYSA-N O=C(O)CCCCCCCC=CCCCCCCC 530 True True False False False null null 99.9 100 null null null 71.37 YILU0370-neg-2 267.23248:4086 268.23583:1160 269.23919:213 0 0 0 0 35092 37304 36782 32027 33416 33265 27342 27127 28484 27827 23178 24400 0 34647.7392578125 26393.1272786458 0 2102.70211697118 2105.99109776325 84 3.622 269.24863 FA 17:0 [M-H]- 0.75 True 6.45 269.2486 C17H34O2 FA KEMQGTRYUADPNZ-UHFFFAOYSA-N O=C(O)CCCCCCCCCCCCCCCC 410 True True True False False null null 100 100 73.3 75 100 133.42 YILU0371-neg-3 269.24863:19092 270.25198:4593 271.25534:347 59.0139:849 269.24808:8104 181 332 41 98 79057 104101 101653 135370 137777 144208 128735 124403 127777 61753 52685 63523 162.88463306427 117027.606770833 93145.99609375 126.833267468527 25887.8691727928 37263.6857069383 85 1.668 271.22797 FA 16:0;(2OH) [M-H]- 0.75 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 65.7 75 100 99.99 YILU0370-neg-1 271.22797:7997 272.23132:953 273.23468:0 59.01478:198 225.22131:284 253.21918:59 271.2269:2371 0 0 0 0 77494 75447 74885 62888 65999 65697 38924 40243 30068 43900 42060 43787 0 70401.8014322917 39830.4007161458 0 6226.31788528409 5166.75486640547 86 2.266 277.21851 FA 18:3 [M-H]- similar chromatogram in higher mz_246; similar chromatogram in higher mz_266; found in higher mz's MsMs_266; found in higher mz's MsMs_203; found in higher mz's MsMs_131; similar chromatogram in higher mz_140; similar chromatogram in higher mz_203; found in higher mz's MsMs_138 0.75 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 5929.4 YILU0372-neg-3 277.21799:355761 278.22134:83552 279.2247:7596 59.01354:296 97.06922:59 179.17909:137 182.12907:61 233.22665:410 259.20694:194 261.18875:52 275.2041:203 277.21753:124975 0 74 40 0 3558944 3494188 3484377 3543616 3532802 3541277 2635120 2628218 2709429 2932372 2932680 2939869 28.5035228729248 3525867.5 2796281.29166667 35.6689685998954 29731.1275210847 154598.94519105 87 2.727 279.23389 FA 18:2 [M-H]- similar chromatogram in higher mz_267; found in higher mz's MsMs_267; found in higher mz's MsMs_132; found in higher mz's MsMs_206; found in higher mz's MsMs_141 0.75 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 5929.66 YILU0372-neg-2 279.23349:297938 280.23684:66683 281.2402:5765 59.01456:194 81.76341:71 201.26318:59 261.22531:79 279.23331:110886 361 9359 108 234 2885681 2933052 2889874 2845686 2948472 2948299 2295171 2284994 2312604 2494983 2483360 2461897 2515.52397155762 2908510.66666667 2388835 4563.66391473197 41467.327796612 100903.43044119 88 3.314 281.2493 FA 18:1 [M-H]- similar chromatogram in higher mz_269; similar chromatogram in higher mz_207; found in higher mz's MsMs_269 0.75 True 6.41 281.2486 C18H34O2 FA ZQPPMHVWECSIRJ-UHFFFAOYSA-N O=C(O)CCCCCCCC=CCCCCCCCC 410 True True True False False null null 100 100 75 75 100 918.47 YILU0372-neg-3 281.24902:96896 282.25237:20595 283.25573:2364 281.24829:32867 281.54031:55 281.642:67 487 1866 1877 167 1073575 1039624 1059407 981955 979349 982481 813880 805648 778825 799981 736503 793589 1099.35614013672 1019398.57291667 788070.677083333 901.149554233678 43159.5337650656 27900.1316693078 89 1.123 283.19095 w/o MS2:AAHFA 3:0/13:1;O [M-H]- 0.062 False 3.77 283.1915 C16H28O4 FAHFA LTXLRSNSBUIKKY-UHFFFAOYSA-N O=C(OC(C(=O)O)CCCCCCC=CCCC)CC 530 True True False False False null null 99.8 100 null null null 37.98 YILU0371-neg-1 283.19095:3030 284.1943:459 285.19766:0 0 0 0 0 30582 34647 31578 33549 32802 30893 12479 10172 12173 22302 21938 21983 0 32341.861328125 16841.0647786458 0 1597.46728947875 5788.52128962492 90 4.105 283.26489 FA 18:0 [M-H]- found in higher mz's MsMs_270; similar chromatogram in higher mz_211; similar chromatogram in higher mz_270 0.75 True 6.93 283.26431 C18H36O2 FA QIQXTHQIDYTFRH-UHFFFAOYSA-N O=C(O)CCCCCCCCCCCCCCCCC 410 True True True False False null null 100 100 75 75 100 474.9 YILU0373-neg-1 283.26474:77836 284.26809:20567 285.27145:1571 283.19662:96 283.26453:27618 283.41714:58 283.64801:60 283.7067:67 18656 57535 58823 63975 1200046 1196652 1201775 926797 931939 924322 863328 819224 822357 642094 619515 662231 49746.9809570313 1063588.41666667 738124.770833333 20913.5740670928 148903.088413906 108072.263557782 91 1.479 287.22266 w/o MS2:FA 16:0;2O [M-H]- 0.188 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 240.57 YILU0372-neg-1 287.22266:15893 288.22601:2388 289.22937:354 47.00736:97 56.99631:73 75.00943:172 241.21812:88 287.17728:84 287.22238:4897 0 0 0 0 234201 233192 253882 211595 207359 222203 201876 184138 207219 199304 192197 197823 0 227071.908854167 197092.778645833 0 17081.4740971322 8033.134770308 92 1.284 287.22278 w/o MS2:FA 16:0;2O [M-H]- ion correlated with 94 0.688 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 483.79 YILU0370-neg-2 287.22278:34051 288.22613:4785 289.22949:783 183.17384:139 223.20667:53 241.21675:507 287.14447:96 287.22232:12851 287.28934:66 287.50784:68 0 0 0 0 425597 434446 351549 359300 359310 288635 78481 96102 105836 228633 251078 176289 0 369806.223958333 156069.828125 0 53728.1427596646 73267.0882261509 93 1.233 291.1972 FA 18:4;O [M-H]- similar chromatogram in higher mz_332 0.75 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 70.6 75 100 3281.21 YILU0372-neg-3 291.19705:99868 292.2004:18785 293.20376:2198 97.06375:51 150.10516:93 165.12781:1471 247.2066:769 273.18481:500 291.1965:31686 291.41229:56 291.46646:71 291.50644:85 291.67691:63 0 0 0 0 1858854 1953916 1674032 1878465 1884962 1766519 808927 889750 939271 1357196 1405329 1489175 0 1836124.64583333 1148274.85416667 0 99687.9528668527 300537.101588225 94 1.312 293.21259 FA 18:3;O [M-H]- ion correlated with 92 0.625 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 61.3 75 100 127.5 YILU0372-neg-2 293.21204:14924 294.21539:3616 295.21875:446 195.13968:317 196.14748:98 221.1544:173 224.14336:253 236.10555:57 275.19965:277 293.21234:4052 0 0 0 0 243762 245380 217544 248692 243855 228661 124938 142534 146192 182864 182365 190114 0 237982.171875 161501.18359375 0 12181.2231455899 26986.6074369519 95 1.434 295.22791 w/o MS2:FA 18:2;(2OH) [M-H]- ion correlated with 323 0.75 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 100 99.9 null null null 95.58 YILU0370-neg-1 295.22791:5536 296.23126:1074 297.23462:0 0 0 0 0 53857 54734 51405 58113 52424 53155 43111 43388 43576 37420 42220 43097 0 53947.8795572917 42135.1940104167 0 2340.49601466092 2356.47488257538 96 3.76 295.26419 w/o MS2:FA 19:1 [M-H]- ion correlated with 443 0.438 False 6.87 295.26431 C19H36O2 FA YOKHLRHWEXTWJR-UHFFFAOYSA-N O=C(O)CCCCCCCC=CCCCCCCCCC 530 True True False False False null null 100 100 null null null 69.54 YILU0370-neg-1 295.26419:3766 296.26754:732 297.2709:0 0 44 0 108 33120 32099 32251 30326 32145 31381 25816 24779 26456 25232 21670 23704 38.0110311508179 31886.9423828125 24609.32421875 51.0801259415373 944.105980203819 1716.85816046934 97 2.156 301.21698 FA 20:5 [M-H]- 0.75 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 57.5 75 100 326.41 YILU0370-neg-3 301.21753:17944 302.22088:3633 303.22424:487 59.01446:80 203.18004:231 257.22729:656 301.21649:2408 0 0 0 0 125447 124078 123903 123927 126886 128082 100390 97825 97962 104563 98388 104512 0 125387.076822917 100606.61328125 0 1764.42264215987 3181.3515995209 98 2.579 303.23355 FA 20:4 [M-H]- similar chromatogram in higher mz_485; similar chromatogram in higher mz_154; found in higher mz's MsMs_285; similar chromatogram in higher mz_221 0.75 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 69.7 75 100 5299.26 YILU0372-neg-3 303.23343:255636 304.23678:64314 305.24014:7499 41.03928:77 59.00233:121 59.01397:1080 67.05953:58 75.0342:71 83.04963:58 93.06931:69 137.13304:84 151.14771:105 163.07405:122 163.14943:71 169.12511:65 177.09084:93 179.17892:71 205.19522:903 217.19992:170 225.18556:55 231.20953:282 245.65094:55 259.2428:5482 285.22171:287 301.21732:68 303.23331:72303 303.65097:79 303.71957:61 21 0 0 0 2085484 2063182 2068642 2177547 2186124 2190866 1908297 1915181 1922320 1874171 1919406 1864981 5.1650390625 2128640.66666667 1900726.125 10.330078125 62153.3839259611 24756.1669616128 99 14.081 305.02298 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 27.89 YILU0361-neg-2 305.02252:7534 306.02587:399 307.02923:0 59.01408:1002 141.01706:4493 141.05386:128 223.01826:101 263122 210225 206049 233316 216221 220488 224832 216825 252637 206494 221110 244346 211630 228244 200774 281388 228177.9296875 222916.177083333 231248.65625 26201.2010108609 15776.5434869731 28673.8658572184 100 2.974 305.24847 FA 20:3 [M-H]- 0.75 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 75 100 289.68 YILU0371-neg-2 305.24847:16790 306.25182:4458 307.25518:378 305.24799:6552 0 0 0 0 116607 121522 119056 125392 130528 127592 103621 105120 108768 102887 90374 100885 0 123449.385416667 101942.450520833 0 5308.0413571657 6250.39222250086 101 3.514 307.26443 FA 20:2 [M-H]- 0.75 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 75 100 148.92 YILU0372-neg-3 307.26434:6669 308.26769:2806 309.27105:293 307.26395:3014 0 0 0 0 61052 59129 60002 61111 60790 61586 47398 48815 47847 47401 44317 45610 0 60611.8404947917 46898.0084635417 0 893.702781728463 1637.06046762691 102 1.036 309.11044 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 61.68 YILU0371-neg-1 309.11044:3134 310.11379:702 311.11715:301 0 0 0 0 21819 21823 22413 24655 23535 25734 8601 10064 9099 17118 16830 16283 0 23329.8287760417 12999.1044921875 0 1610.62011618897 4137.50406139449 103 1.184 309.20718 FA 18:3;2O [M-H]- 0.75 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 60.8 75 100 188.54 YILU0373-neg-1 309.20712:10570 310.21047:1897 311.21383:2964 59.0146:85 121.09845:64 181.12218:79 197.11681:79 211.13152:77 226.12003:50 291.19638:430 309.20627:2698 0 0 0 0 181740 186235 165218 190358 193393 173336 64646 68894 67800 122676 120869 132892 0 181713.4921875 96296.1490885417 0 10713.2840676669 32260.3336182578 104 1.342 311.16827 w/o MS2:RIKEN N-VS1 ID-884 from Mouse_Macrophage_WT_N_F1AA [M-H]- 0.062 False 4.97 311.16891 Unknown 530 True True False False False null null 99.8 99.9 null null null 59.17 YILU0370-neg-3 311.16827:5389 312.17162:1187 313.17498:401 41 0 0 0 52019 55558 47671 22607 23703 21743 13624 16568 18522 18308 18315 19100 10.1314058303833 37216.8359375 17406.2421875 20.2628116607666 16126.3951528022 2037.58694415394 105 1.254 311.22272 FA 18:2;2O [M-H]- ion correlated with 117 0.75 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 72.2 75 100 172.34 YILU0371-neg-2 311.22272:23588 312.22607:3975 313.22943:539 171.1037:51 181.12209:53 227.12904:75 232.92511:64 265.21527:61 293.20966:163 311.10324:232 311.22235:10125 311.56854:60 0 0 0 0 260072 274775 228829 255668 250063 222474 85864 96202 104146 158195 167222 182438 0 248646.713541667 132344.24609375 0 19709.1194870707 41607.4243375533 106 10.266 311.29495 w/o MS2:FA 20:0 [M-H]- ion correlated with 790 0.75 False 7.58 311.29559 C20H40O2 FA VKOBVWXKNCXXDE-UHFFFAOYSA-N O=C(O)CCCCCCCCCCCCCCCCCCC 530 True True False False False null null 99.8 100 null null null 41.86 YILU0372-neg-2 311.29495:5990 312.2983:1437 313.30166:0 0 0 0 244 49339 46257 46903 46538 46721 47580 47710 48657 48169 42456 40674 39304 60.9847793579102 47223.2259114583 44494.9661458333 121.96955871582 1127.78044139064 4168.00377393882 107 4.521 311.29584 FA 20:0 [M-H]- 0.75 True 7.58 311.29559 C20H40O2 FA VKOBVWXKNCXXDE-UHFFFAOYSA-N O=C(O)CCCCCCCCCCCCCCCCCCC 410 True True True False False null null 100 100 75 75 100 331.75 YILU0371-neg-3 311.29584:46400 312.29919:10768 313.30255:1345 59.01431:146 211.10069:67 251.10728:51 311.21893:96 311.29547:25255 311.48413:57 311.728:54 0 0 0 0 320941 314654 314411 311698 300097 317393 296796 299442 300365 289925 290814 283896 0 313198.989583333 293539.536458333 0 7141.78178930452 6411.18245094486 108 1.355 313.23752 w/o MS2:AAHFA 10:0/8:0;O [M-H]- 0.062 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 99.6 99.9 null null null 32.66 YILU0370-neg-2 313.23752:4372 314.24087:878 315.24423:300 0 0 0 0 35933 38988 25072 30791 32280 24780 10006 12290 12234 17343 18556 23915 0 31307.2008463542 15724.2094726563 0 5711.23789429237 5184.87828555383 109 1.259 315.19647 Unknown [M-H]- 0.75 False null null null null null null 999 False False False False False null null null null null null null 136.22 YILU0371-neg-2 315.19647:8659 316.19982:2015 317.20318:1349 0 0 0 0 73714 75227 62315 72178 73788 67280 32999 37815 41151 57737 55162 57476 0 70750.255859375 47056.5390625 0 4965.44514217356 11011.1755937148 110 1.325 317.21194 w/o MS2:FA 20:5;(2OH) [M-H]- 0.5 False 5.39 317.21219 C20H30O3 OxFA WQRBDBUVXZOIFF-UHFFFAOYSA-N O=C(O)C(O)CCC=CCC=CCC=CCC=CCC=CCC 530 True True False False False null null 100 99.9 null null null 73.81 YILU0370-neg-1 317.21194:4082 318.21529:937 319.21865:364 0 0 0 0 55831 56316 32841 51888 52260 50098 38807 19776 19475 43761 24749 24603 0 49872.3046875 28528.4739583333 0 8682.31975078847 10256.1976905888 111 1.443 319.2276 FA 20:4;O [M-H]- similar chromatogram in higher mz_676; similar chromatogram in higher mz_696 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 54.2 75 100 172.09 YILU0370-neg-3 319.22736:9050 320.23071:1600 321.23407:272 43.0174:89 167.10867:154 179.10686:117 219.13947:81 257.22894:102 283.20966:55 301.21561:216 319.20178:125 319.22729:1302 0 0 0 0 101857 101754 98366 105919 103519 105527 87970 92845 89895 85307 84503 86580 0 102823.744791667 87850.0677083333 0 2804.30369896904 3112.37626395247 112 1.024 320.99634 Unknown [M-H]- ion correlated with 179 0.562 True null null null null null null 999 False False False False False null null null null null null null 93.97 YILU0370-neg-1 320.99704:5180 322.00039:803 323.00375:447 59.01382:525 141.01709:3590 205.12476:55 223.01791:55 223.13551:89 289.08633:67 0 0 0 0 40117 41561 41402 35480 36716 36289 13403 13296 12445 36065 36651 35706 0 38594.390625 24594.5649414063 0 2740.13801526162 12656.2556365443 113 3.177 323.22049 w/o MS2:RIKEN N-VS1 ID-961 from Mouse_Feces_WT_N_Ctr [M+FA-H]- adduct linked to 119_[M+Hac-H]- 0.25 False 5.92 323.22141 Unknown 530 True True False False False null null 99.6 100 null null null 22.74 YILU0371-neg-1 323.22049:3274 324.22384:524 325.2272:0 0 0 0 0 23921 24883 23818 26977 26984 25833 23252 25243 22972 21421 16952 21006 0 25402.6946614583 21807.6975911458 0 1424.03648839593 2814.58588740407 114 1.344 323.22253 w/o MS2:AAHFA 4:0/15:2;O [M-H]- 0.75 True 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 40.09 YILU0372-neg-3 323.22253:7988 324.22588:1740 325.22924:374 72.99194:51 207.14091:60 287.22162:54 291.19525:1221 308.19894:114 323.12219:52 323.22198:3181 0 0 0 0 36331 38049 33957 36703 34196 31912 51000 58843 60447 31947 31805 30031 0 35191.2486979167 44012.0266927083 0 2237.20013254121 14345.2084297639 115 1.577 325.18414 w/o MS2:Dodecylbenzenesulfonic acid [M-H]- 0.562 True 5.363 325.1843 C18H30O3S Others KWXICGTUELOLSQ-UHFFFAOYSA-N CCCCCCCCCCCCC1=CC=C(C=C1)S(O)(=O)=O 530 True True False False False null null 100 99.9 null null null 81.58 YILU0370-neg-1 325.18414:8762 326.18749:2009 327.19085:579 325.12106:65 325.18436:4934 325.23853:265 34 0 0 28 76633 78513 74356 43904 40816 40254 28685 30385 32414 29990 28844 28976 15.6117968559265 59079.2708333333 29882.3460286458 18.1661355146431 19169.9196487043 1414.97041282234 116 1.472 325.2381 w/o MS2:AAHFA 6:0/13:1;O [M-H]- 0.688 True 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 99.9 null null null 78.4 YILU0372-neg-1 325.2381:10013 326.24145:2261 327.24481:323 293.21283:254 310.21552:173 325.14545:97 325.18283:246 325.23804:4720 0 0 0 0 33581 32958 31987 35887 33712 33756 80362 74307 76228 36769 34353 33527 0 33646.7291666667 55924.4244791667 0 1286.10874732532 23157.1597531724 117 1.275 335.22263 FA 20:4;2O [M-H]- ion correlated with 105 0.75 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 58.5 75 100 335.24 YILU0373-neg-1 335.22263:15133 336.22598:3127 337.22934:745 81.07136:53 97.06645:52 167.10863:228 168.11108:81 169.12065:74 181.08792:56 183.10353:160 183.136:65 207.13686:149 273.22324:95 291.23444:70 299.1976:54 317.21136:519 335.22174:4038 0 0 0 0 200332 219198 179549 201692 199718 175824 69773 82587 91800 136689 139210 150990 0 196052.052083333 111841.555989583 0 16005.281729217 34427.5777830218 118 1.049 336.97113 Unknown [M-H]- 0.75 True null null null null null null 999 False False False False False null null null null null null null 190.6 YILU0370-neg-1 336.97067:10179 337.97402:599 338.97738:1239 59.01412:1458 140.995:118 141.01706:7036 156.97128:66 156.99072:692 238.99394:54 277.11606:64 319.15234:51 0 0 0 0 87428 88168 88025 76436 75188 76816 86293 84097 84776 96782 94970 95347 0 82010.2447916667 90377.4700520833 0 6450.48434306287 5904.11495225936 119 3.17 337.23618 w/o MS2:RIKEN N-VS1 ID-1030 from Mouse_Eye_fads2KO_N_Ctr [M+Hac-H]- adduct linked to 113_[M+FA-H]- 0.75 True 6.3 337.23639 Unknown 530 True True False False False null null 100 100 null null null 65.42 YILU0371-neg-1 337.23618:12357 338.23953:2465 339.24289:352 59.01438:711 255.23242:5263 53 622 20 380 82178 82570 83381 91754 90845 92391 81696 82249 79282 71401 59955 68387 268.733839035034 87186.5651041667 73828.375 286.129207908296 4943.98677610997 8837.65054855138 120 1.773 339.19989 w/o MS2:Norethisterone acetate [M-H]- 0.375 True 5.669 339.19656 C22H28O3 Others IMONTRJLAWHYGT-ZCPXKWAGSA-N CC(=O)O[C@]1(CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@]12C)C#C 530 True True False False False null null 94.6 99.9 null null null 50.57 YILU0370-neg-2 339.19989:7862 340.20324:1474 341.2066:390 163.10828:50 339.11746:66 339.19931:4857 0 0 0 0 73815 75733 70401 45679 44813 41241 23354 27056 27540 21813 24590 22072 0 58613.7018229167 24404.0537109375 0 16264.6951027518 2455.80761998013 121 6.022 339.32645 w/o MS2:FA 22:0 [M-H]- 0.188 False 8.13 339.3269 C22H44O2 FA UKMSUNONTOPOIO-UHFFFAOYSA-N O=C(O)CCCCCCCCCCCCCCCCCCCCC 530 True True False False False null null 99.9 100 null null null 35.59 YILU0370-neg-3 339.32645:3086 340.3298:944 341.33316:0 1468 1104 241 1440 24593 24402 25832 16927 16508 14750 13137 12851 11649 10727 8667 10094 1063.36978149414 20502.0950520833 11187.6000976563 572.358633516288 4943.21735382893 1705.46694056436 122 0.906 349.09113 Unknown [2M+FA-H]- ion correlated with 74; ion correlated with 28; ion correlated with 43; ion correlated with 230; adduct linked to 20_[M-H2O-H]- 0.5 True null null null null null null 999 False False False False False null null null null null null null 223.17 YILU0372-neg-1 349.09113:20926 350.09448:3649 351.09784:9955 34.96908:558 59.01451:52 72.99272:86 101.02495:70 143.03496:96 179.05449:168 215.0919:66 313.08301:68 313.11328:1525 313.16248:108 349.02521:68 349.09058:3633 0 0 0 0 8182 10571 9196 17774 17794 17366 118580 118881 116537 40799 39955 40879 0 13480.4519856771 79271.8033854167 0 4626.72057427503 42432.8145425109 123 1.504 349.23846 w/o MS2:AAHFA 6:0/15:3;O [M-H]- 0.188 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 100 99.9 null null null 89.25 YILU0372-neg-1 349.23846:4830 350.24181:1511 351.24517:710 0 0 0 0 14516 15341 17117 18542 17987 20165 42440 41084 40062 18075 19499 19133 0 17277.8894856771 30048.8388671875 0 2089.91879642583 12242.4767149675 124 0.91 351.08829 Unknown [M-H]- ion correlated with 190; ion correlated with 32 0.188 False null null null null null null 999 False False False False False null null null null null null null 102.99 YILU0372-neg-1 351.08829:5960 352.09164:1078 353.095:364 0 0 0 0 3776 3277 3663 5537 6590 5390 34038 32053 32892 11142 11803 12266 0 4705.59212239583 22365.5366210938 0 1319.31661173481 11665.6597686573 125 3.167 351.22052 w/o MS2:RIKEN N-VS1 ID-1089 from Mouse_Feces_WT_ABX_Ctr [M-H]- ion correlated with 195 0.75 True 6.35 351.21979 Unknown 530 True True False False False null null 99.7 99.9 null null null 122.04 YILU0373-neg-2 351.22052:9411 352.22387:2309 353.22723:4041 44.99757:60 61.98703:51 255.14882:78 255.23251:11500 48 219 118 60 54120 53204 52149 57221 57928 56080 52327 51666 52310 49156 77368 48903 111.137797355652 55117.0657552083 55288.1302083333 78.1016182198297 2311.50770414932 10923.7778202972 126 1.07 352.94522 Unknown [M+Hac-H]- adduct linked to 295_[2M+Hac-H]-; similar chromatogram in higher mz_235; similar chromatogram in higher mz_236; similar chromatogram in higher mz_448; similar chromatogram in higher mz_298 0.75 True null null null null null null 999 False False False False False null null null null null null null 311.66 YILU0370-neg-1 352.94485:10354 353.9482:949 354.95156:3201 59.01419:6716 156.99004:742 0 0 0 0 86869 89204 90669 75149 73450 77353 286352 277663 284504 126053 127779 121618 0 82115.7005208333 203994.861979167 0 7645.9699545442 86442.0650689212 127 3.167 353.21515 Unknown [M-H]- 0.312 False null null null null null null 999 False False False False False null null null null null null null 68.65 YILU0370-neg-1 353.21515:3656 354.2185:1091 355.22186:548 0 55 0 102 30032 26720 28117 24511 22492 22921 25341 25975 25596 17679 31042 23878 39.3147897720337 25798.9889322917 24918.4674479167 49.2632909586146 3000.57513756423 4307.01408540158 128 6.442 353.34219 w/o MS2:FA 23:0 [M-H]- ion correlated with 691; ion correlated with 668; ion correlated with 501 0.75 False 8.31 353.3425 C23H46O2 FA XEZVDURJDFGERA-UHFFFAOYSA-N O=C(O)CCCCCCCCCCCCCCCCCCCCCC 530 True True False False False null null 100 100 null null null 90.94 YILU0370-neg-3 353.34219:5686 354.34554:1873 355.3489:301 262 1029 589 1178 41306 37649 41638 36758 34175 33887 32873 31278 30377 30530 27584 29451 764.761047363281 37568.9778645833 30348.9319661458 418.004704901416 3354.53842065726 1773.29500979546 129 1.063 354.94348 Unknown [M-H]- ion correlated with 191 0.188 False null null null null null null 999 False False False False False null null null null null null null 103.86 YILU0372-neg-3 354.94348:5290 355.94683:380 356.95019:444 0 0 0 0 20649 17747 17857 15689 14794 13813 51406 51093 52843 22828 23326 22913 0 16757.8841145833 37401.275390625 0 2489.92421908163 15763.6746686833 130 0.862 355.12402 Unknown [2M+Hac-H]- ion correlated with 39; ion correlated with 53; adduct linked to 18_[M-H2O-H]- 0.062 False null null null null null null 999 False False False False False null null null null null null null 60.28 YILU0372-neg-1 355.12402:3014 356.12737:557 357.13073:360 0 0 0 0 2849 940 1678 3578 2919 2634 17542 16647 16763 6759 6817 6530 0 2432.87595621745 11842.9082845052 0 955.083404487008 5640.95287023786 131 2.266 359.22073 w/o MS2:NAGlySer 12:0;O [M+FA-H]- adduct linked to 138_[M+Hac-H]- 0.75 True 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 98.2 100 null null null 134.3 YILU0371-neg-2 359.22073:8182 360.22408:2096 361.22744:232 59.01382:374 277.21677:3142 359.22101:69 0 0 0 0 57937 57512 54225 56626 61777 56871 40868 40881 39135 47118 40959 46138 0 57491.3795572917 42516.7115885417 0 2464.46559186523 3272.43530426436 132 2.727 361.23535 w/o MS2:AAHFA 7:0/15:4;O [M+FA-H]- ion correlated with 206; adduct linked to 141_[M+Hac-H]-; similar chromatogram in higher mz_247 0.75 True 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 95.5 100 null null null 130.54 YILU0371-neg-1 361.23535:7471 362.2387:2112 363.24206:302 59.0143:576 279.23199:3632 0 0 0 0 52551 55272 54615 54891 55907 55451 41299 40421 40371 46979 40984 48614 0 54781.1341145833 43111.3092447917 0 1180.74463658237 3682.05644776863 133 1.518 365.26944 w/o MS2:AAHFA 7:0/15:2;O [M-H]- 0.25 False 6.1 365.26971 C22H38O4 FAHFA OCPSOQHUTHXFMQ-UHFFFAOYSA-N O=C(OC(C(=O)O)CCCCCC=CCC=CCCC)CCCCCC 530 True True False False False null null 100 99.9 null null null 29.19 YILU0370-neg-3 365.26944:4819 366.27279:1625 367.27615:0 0 0 0 0 50229 43580 47996 34026 35687 42110 24980 29270 28553 22226 21760 20486 0 42271.240234375 24545.7161458333 0 6468.06775032836 3692.76096145187 134 1.382 367.24298 w/o MS2:RIKEN N-VS1 ID-1168 from Mouse_Feces_WT_N_Ctr [M-H]- 0.062 False 6.98 367.24759 Unknown 530 True True False False False null null 89.9 99.8 null null null 36.81 YILU0361-neg-3 367.24298:4244 368.24633:1107 369.24969:1213 275 21834 4546 32162 9978 10066 9655 10602 10939 8997 7545 7862 10355 9942 11596 13105 14704.4910049438 10039.3712565104 10067.4305826823 14911.0875245839 687.876658289095 2139.45397571219 135 0.86 367.24384 w/o MS2:RIKEN N-VS1 ID-1168 from Mouse_Feces_WT_N_Ctr [M-H]- 0.562 False 6.98 367.24759 Unknown 530 True True False False False null null 93.2 99.8 null null null 28.36 YILU0373-neg-1 367.24384:4204 368.24719:1311 369.25055:1668 1493 2741 1240 2672 9067 8851 8141 21668 22778 21822 25550 24391 24729 25580 24064 25675 2036.63064575195 15387.8102213542 24998.1585286458 780.779149304871 7357.38626258456 694.808536961142 136 6.867 367.35684 w/o MS2:FA 24:0 [M-H]- ion correlated with 644; similar chromatogram in higher mz_877 0.75 False 8.5 367.35818 C24H48O2 FA QZZGJDVWLFXDLK-UHFFFAOYSA-N O=C(O)CCCCCCCCCCCCCCCCCCCCCCC 530 True True False False False null null 99.1 100 null null null 166.52 YILU0370-neg-2 367.35684:16065 368.36019:4262 369.36355:556 16219 14799 12133 15016 125081 130311 115333 124481 122312 111546 117679 116025 114831 120863 87744 104443 14541.5478515625 121510.670572917 110264.220052083 1722.81943482917 6886.27390095507 12348.0607157255 137 1.209 373.19916 Unknown [M-H]- ion correlated with 139 0.562 False null null null null null null 999 False False False False False null null null null null null null 99.66 YILU0370-neg-3 373.19916:5684 374.20251:1265 375.20587:249 0 0 0 0 49890 44968 49153 45485 45593 45754 19459 20642 20038 36592 35649 37296 0 46807.0182291667 28279.517578125 0 2131.88059511126 9041.65092827934 138 2.27 373.20465 Unknown [M+Hac-H]- adduct linked to 131_[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 88.43 YILU0373-neg-2 373.20465:6267 374.208:1727 375.21136:4043 59.01413:56 277.21677:10049 0 0 0 0 37471 37577 37420 41246 37881 37455 25149 25533 26478 30594 50480 30813 0 38175.2532552083 31507.94921875 0 1513.76061229696 9619.45722971857 139 1.222 375.15768 Unknown [M+FA-H]- ion correlated with 137; similar chromatogram in higher mz_274; adduct linked to 155_[M+Hac-H]- 0.688 False null null null null null null 999 False False False False False null null null null null null null 101.4 YILU0370-neg-1 375.15768:5884 376.16103:1949 377.16439:550 0 0 0 0 45975 44845 42296 45820 43268 39907 24150 27688 31617 36093 36404 41334 0 43685.34765625 32880.884765625 0 2346.21251933203 6308.32745812676 140 2.264 375.19638 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 63.39 YILU0372-neg-2 375.19638:3279 376.19973:881 377.20309:771 0 0 0 0 24441 24773 25106 19893 18963 19989 22986 23601 24534 18624 24306 23853 0 22194.2643229167 22984.1712239583 0 2855.55140599597 2204.56367313566 141 2.729 375.22021 w/o MS2:FA 22:6;3O [M+Hac-H]- adduct linked to 132_[M+FA-H]- 0.75 True 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 96.9 100 null null null 79.08 YILU0373-neg-2 375.22021:7562 376.22356:1880 377.22692:3206 279.23285:11788 279.4342:66 279.46082:55 279.63052:52 290.98782:52 0 0 0 0 33339 34811 35396 36237 36405 36390 26707 26891 25612 31902 62744 31379 0 35429.640625 34205.8190104167 0 1206.64946924365 14221.8070737985 142 3.359 375.27457 w/o MS2:FA 20:0;4O [M+FA-H]- ion correlated with 269; adduct linked to 156_[M+Hac-H]- 0.75 True 6.07 375.27521 C20H40O6 OxFA UCKPUNFLVFMVLM-UHFFFAOYSA-N O=C(O)CCCCCCC(O)C(O)CCCCCCC(O)CCCCO 530 True True False False False null null 99.8 100 null null null 102.83 YILU0373-neg-1 375.27457:6773 376.27792:2004 377.28128:8392 44.99767:3388 0 64 67 0 48076 50121 47003 46222 47761 48546 42952 42841 42898 52482 44534 51962 32.5179386138916 47954.87109375 46278.302734375 37.5675521368754 1341.84751507652 4650.52109127071 143 0.908 377.08636 Unknown [M-H]- ion correlated with 19; ion correlated with 43 0.75 True null null null null null null 999 False False False False False null null null null null null null 224.19 YILU0370-neg-1 377.08545:6620 378.0888:1139 379.09216:3147 34.96902:75 215.03284:126 223.028:90 341.10931:774 341.19266:79 377.08432:1528 0 0 0 0 38348 35002 38206 28228 28190 27608 148102 150189 150759 60804 60734 60573 0 32596.9781901042 105193.26171875 0 5171.76127699335 48744.3712216057 144 2.739 377.21628 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 47.06 YILU0373-neg-2 377.21628:3131 378.21963:708 379.22299:248 0 0 0 0 25380 23746 22421 21194 18098 18797 20995 18110 19993 17173 28684 23789 0 21605.8889973958 21457.1800130208 0 2823.10308331033 4232.76403233415 145 4.865 377.27176 w/o MS2:RIKEN N-VS1 ID-1234 from Mouse_Feces_WT_N_Ctr [M-H]- 0.188 False 4.97 377.26981 Unknown 530 True True False False False null null 98.1 100 null null null 11.43 YILU0373-neg-1 377.27176:6245 378.27511:2358 379.27847:360 10723 52308 21482 18510 75469 76597 77916 73178 71482 71813 68597 69088 65900 78143 82088 80795 25755.7299804688 74408.9895833333 74101.9869791667 18273.6825415915 2647.05927330746 7037.1440269905 146 7.016 377.27213 w/o MS2:RIKEN N-VS1 ID-1234 from Mouse_Feces_WT_N_Ctr [M-H2O-H]- adduct linked to 625_[2M+Hac-H]- 0.062 True 4.97 377.26981 Unknown 530 True True False False False null null 97.3 100 null null null 38.22 YILU0372-neg-2 377.27213:10125 378.27548:2324 379.27884:547 44.98617:84 44.99781:1931 90823 94624 82633 80602 114898 112799 125593 112881 117033 114637 118185 114733 113873 115478 111614 117087 87170.634765625 116306.85546875 115161.713541667 6649.06560293593 4807.83030153094 2339.88777480321 147 3.066 377.27225 w/o MS2:RIKEN N-VS1 ID-1234 from Mouse_Feces_WT_N_Ctr [M-H]- 0.375 True 4.97 377.26981 Unknown 530 True True False False False null null 97.1 100 null null null 11.47 YILU0372-neg-3 377.27225:10284 378.2756:2451 379.27896:570 44.99776:2417 3980 1895 6746 10449 103301 172897 85000 84099 91915 91953 88060 89391 87949 100526 75634 88938 5767.52584838867 104860.990885417 88416.53515625 3699.95368084343 34032.6424054015 7894.21172388802 148 3.775 377.27246 w/o MS2:RIKEN N-VS1 ID-1234 from Mouse_Feces_WT_N_Ctr [M-H]- ion correlated with 548 0.25 True 4.97 377.26981 Unknown 530 True True False False False null null 96.5 100 null null null 9.95 YILU0371-neg-3 377.27246:15275 378.27581:3356 379.27917:599 44.99763:3040 377.2684:53 8085 14483 9654 31753 239443 424586 447067 240777 241694 588157 371726 232410 264005 209012 235370 280804 15993.7449951172 363620.661458333 265554.442708333 10853.4895951046 145927.109494579 57816.9023067689 149 6.637 377.27255 w/o MS2:RIKEN N-VS1 ID-1234 from Mouse_Feces_WT_N_Ctr [M-H]- 0.75 True 4.97 377.26981 Unknown 530 True True False False False null null 96.3 100 null null null 17.97 YILU0370-neg-1 377.27255:9747 378.2759:2407 379.27926:469 44.99778:2469 31469 64643 76420 107365 108754 105044 101553 95656 98512 90633 97881 88512 93317 99631 98164 106849 69974.4892578125 100025.2265625 97392.5559895833 31361.7207926596 6531.7213873513 6176.37849688849 150 10.259 377.27258 w/o MS2:RIKEN N-VS1 ID-1234 from Mouse_Feces_WT_N_Ctr [M-H]- ion correlated with 799 0.75 True 4.97 377.26981 Unknown 530 True True False False False null null 96.2 99.9 null null null 16.2 YILU0370-neg-2 377.27258:13700 378.27593:3965 379.27929:1161 44.99779:3965 54009 89096 93123 48003 241213 385977 283010 156776 199201 188800 212528 220753 216940 213648 265693 268227 71057.6396484375 242496.1953125 232965.033854167 23341.1745450045 82867.7798981022 26500.1515157362 151 4.589 377.27298 w/o MS2:RIKEN N-VS1 ID-1234 from Mouse_Feces_WT_N_Ctr [M-H]- 0.375 True 4.97 377.26981 Unknown 530 True True False False False null null 95.1 100 null null null 22.07 YILU0370-neg-1 377.27298:14517 378.27633:3830 379.27969:988 44.99771:3165 19430 21850 54546 14267 183865 172911 195313 173630 185513 160142 159683 175219 170749 192634 184234 172661 27523.2360839844 178562.4296875 175863.403645833 18290.6852869755 12268.8050399091 11401.3297676047 152 0.907 379.08386 Unknown [M-H]- ion correlated with 59; ion correlated with 32 0.375 False null null null null null null 999 False False False False False null null null null null null null 114.18 YILU0372-neg-2 379.08386:8512 380.08721:1506 381.09057:425 0 0 0 0 12411 13080 13083 9270 9545 9777 43218 47710 44663 18557 19348 20887 0 11194.6031901042 32397.2682291667 0 1845.7451671745 14116.2179043152 153 7.227 381.3735 w/o MS2:FA 25:0 [M-H]- ion correlated with 651; ion correlated with 713; ion correlated with 342; ion correlated with 326; similar chromatogram in higher mz_713 0.75 False 8.92 381.37381 C25H50O2 FA MWMPEAHGUXCSMY-UHFFFAOYSA-N O=C(O)CCCCCCCCCCCCCCCCCCCCCCCC 530 True True False False False null null 100 100 null null null 125.13 YILU0370-neg-1 381.3735:7547 382.37685:2736 383.38021:358 5824 9549 7014 7704 64395 61027 63452 54086 53879 51907 49970 50084 47320 46716 41214 45628 7522.69909667969 58124.2877604167 46822.1588541667 1557.97714128487 5461.18014573345 3276.91414197785 154 2.579 385.23541 w/o MS2:NAGlySer 14:1;O [M-H]- 0.375 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 99.5 100 null null null 25.91 YILU0371-neg-3 385.23541:3228 386.23876:913 387.24212:0 0 0 0 0 22290 23233 22498 23049 23818 24367 22036 20086 21154 19405 16671 20262 0 23209.3193359375 19935.8616536458 0 785.937356557662 1842.01223394675 155 1.208 389.17386 w/o MS2:LPA 15:3 [M+Hac-H]- adduct linked to 139_[M+FA-H]- 0.75 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 99.9 100 null null null 475.02 YILU0370-neg-3 389.17386:25964 390.17721:6554 391.18057:2439 44.99273:68 59.01232:124 165.10016:53 165.12741:102 247.20308:176 291.13043:86 291.19623:13280 291.28293:79 291.40628:50 329.15161:410 389.17178:1056 0 0 0 0 190994 185754 198202 166224 171267 173503 180817 180149 174650 169594 175560 165716 0 180990.734375 174414.4140625 0 12551.0645107391 5901.60884333431 156 3.356 389.29126 Unknown [M+Hac-H]- adduct linked to 142_[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 333.14 YILU0370-neg-1 389.29123:33320 390.29458:9336 391.29794:20296 59.01409:21264 130 1652 166 4243 252116 258960 253638 246672 252814 252156 218697 227026 224777 273607 239078 276141 1547.66585922241 252726.0390625 243221.1171875 1931.54854689323 3925.68965249795 25409.0322923516 157 0.959 391.28799 w/o MS2:FAHFA 2:0/22:3;O [M-H]- 0.062 True 6.36 391.2854 C24H40O4 FAHFA DPQDELJPKXRVKY-UHFFFAOYSA-N O=C(O)CCCCCCCC(OC(=O)C)C=CCC=CCC=CCCCCC 530 True True False False False null null 71.5 99.9 null null null 17.17 PostRun1 391.28799:5874 392.29134:1614 393.2947:379 59.01409:2113 331.2659:85 30610 12490 800 4493 8713 7429 6109 11628 10126 9348 3551 3202 2719 7395 6882 6724 12098.4524078369 8892.13948567708 5078.76224772135 13270.8127044206 1956.52076888987 2133.15001921829 158 3.826 391.28833 w/o MS2:FAHFA 2:0/22:3;O [M-H]- 0.062 True 6.36 391.2854 C24H40O4 FAHFA DPQDELJPKXRVKY-UHFFFAOYSA-N O=C(O)CCCCCCCC(OC(=O)C)C=CCC=CCC=CCCCCC 530 True True False False False null null 70.1 100 null null null 8.14 YILU0373-neg-2 391.28833:25116 392.29168:5744 393.29504:1244 59.01394:7187 295.26349:181 331.2666:213 75121 105475 128256 71775 530964 425748 436650 429899 518527 500374 393908 407990 455463 416839 465053 676705 95156.69140625 473693.796875 469326.427083333 26771.7017681196 48147.071163636 105281.707702379 159 6.63 391.28839 ST 24:1;O4 [M-H]- 0.75 True 2.8 391.28537 C24H40O4 BileAcid RUDATBOHQWOJDD-UZVSRGJWSA-N C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C 430 True True True False False null null 84.1 99.9 8 75 100 19.24 YILU0373-neg-1 391.2883:21290 392.29165:4966 393.29501:1384 59.01406:6525 331.20316:50 331.25534:55 391.28986:117 134521 161350 223636 103410 285410 281922 295315 280147 269256 248891 243576 250861 254145 350795 264083 269700 155729.02734375 276823.559895833 272193.3515625 51088.2189833066 16063.4746523315 39623.1787412015 160 6.169 391.28842 ST 24:1;O4 [M-H]- 0.5 True 2.8 391.28537 C24H40O4 BileAcid RUDATBOHQWOJDD-UZVSRGJWSA-N C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C 430 True True True False False null null 83.7 99.9 7.7 75 100 13.17 YILU0373-neg-1 391.28864:17014 392.29199:3805 393.29535:868 58.99997:60 59.01412:5235 331.2662:97 391.2832:101 236548 107338 132313 135056 328083 328293 334628 227803 317382 297466 308323 306760 296471 329313 307854 314958 152813.8359375 305609.28125 310613.21875 57198.4585111565 40300.0239331117 10920.3136207254 161 4.864 391.28842 ST 24:1;O4 [M-H]- 0.438 True 2.8 391.28537 C24H40O4 BileAcid RUDATBOHQWOJDD-UZVSRGJWSA-N C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C 430 True True True False False null null 83.5 100 11.3 75 100 9.08 YILU0373-neg-3 391.28903:13618 392.29238:3624 393.29574:724 59.0141:3928 331.26624:155 391.28909:129 65561 98589 179857 22111 212965 217522 216412 201444 197294 203642 198496 184412 196145 209919 193244 205358 91529.3935546875 208213.171875 197928.96875 66695.6743638952 8513.57691276759 9023.62638136188 162 4.604 391.28851 ST 24:1;O4 [M-H]- 0.312 True 2.8 391.28537 C24H40O4 BileAcid RUDATBOHQWOJDD-UZVSRGJWSA-N C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C 430 True True True False False null null 83.7 100 6.9 75 100 13.99 YILU0370-neg-3 391.28857:22637 392.29192:5720 393.29528:1672 59.01396:8041 61.98376:52 203.01192:57 331.26434:189 391.28833:140 34023 96309 293263 85307 196810 179435 184713 196006 173563 175179 318364 189940 172425 179445 322032 163461 127225.323242188 184284.177083333 224277.744791667 113971.345876878 10157.2709486449 74812.6048777282 163 8.681 391.28851 ST 24:1;O4 [M-H]- 0.062 True 2.8 391.28537 C24H40O4 BileAcid RUDATBOHQWOJDD-UZVSRGJWSA-N C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C 430 True True True False False null null 83.1 99.8 null 75 100 17.43 YILU0370-neg-1 391.28851:33583 392.29186:6962 393.29522:1880 59.01404:10879 331.26501:259 391.28436:77 168326 347268 174298 176912 339557 326067 318875 302780 296636 287894 304932 307252 301379 323512 289150 292567 216701.06640625 311968.161458333 303132.046875 87118.5960378299 19527.8698983119 12212.9232399113 164 7.356 391.28854 ST 24:1;O4 [M-H]- 0.75 True 2.8 391.28537 C24H40O4 BileAcid RUDATBOHQWOJDD-UZVSRGJWSA-N C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C 430 True True True False False null null 83.9 99.9 8.3 75 100 28.18 YILU0370-neg-1 391.28854:32310 392.29189:6811 393.29525:1835 59.01405:10300 331.26691:259 391.28925:221 218578 104241 235996 235916 736080 700986 712440 693648 671871 671551 459482 648792 646827 645023 642653 624680 198683.03515625 697762.5 611242.697916667 63491.8658015162 24772.4488237437 74854.0614661645 165 9.37 391.28867 ST 24:1;O4 [M-H]- ion correlated with 459; ion correlated with 544 0.312 True 2.8 391.28537 C24H40O4 BileAcid RUDATBOHQWOJDD-UZVSRGJWSA-N C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C 430 True True True False False null null 83.2 99.8 4.6 75 100 12.32 YILU0371-neg-3 391.28882:56782 392.29217:13132 393.29553:3926 59.01412:16550 59.08064:50 59.12607:57 331.09601:96 331.26648:291 391.28894:181 888004 250420 461141 1564066 1585377 1095000 1383837 1545484 1466494 1069046 1502672 1656391 1425286 1551951 1549746 1525496 790907.37109375 1357539.77083333 1535256.91666667 579676.572007854 224477.700119625 75382.5086904974 166 13.854 391.28879 ST 24:1;O4 [M-H]- 1 True 2.8 391.28537 C24H40O4 BileAcid RUDATBOHQWOJDD-UZVSRGJWSA-N C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C 430 True True True False False null null 83.5 99.4 5.8 75 100 21.63 YILU0370-neg-2 391.2886:21332 392.29195:4553 393.29531:1081 59.01416:6942 141.01686:76 331.26501:177 391.28882:103 1043278 1184622 1141662 1073597 677160 1094331 1133987 694790 1062232 478094 1111960 759727 991730 1104372 1058350 1038662 1110789.734375 856765.484375 1010800.35416667 64149.3744508336 274733.382747672 130711.665212153 167 8.896 391.28879 ST 24:1;O4 [M-H]- 0.125 True 2.8 391.28537 C24H40O4 BileAcid RUDATBOHQWOJDD-UZVSRGJWSA-N C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C 430 True True True False False null null 82.7 99.8 null 75 100 17.52 YILU0370-neg-1 391.28879:42580 392.29214:12988 393.2955:2479 59.01409:13968 59.04375:57 309.17459:71 331.26581:292 391.28909:95 562713 206651 648384 409918 414694 400372 406187 441138 407295 424701 424026 387362 418671 388524 381351 421213 456916.5234375 415731.213541667 403524.348958333 193816.620878526 15001.136143879 19700.3452196455 168 10.256 391.28897 ST 24:1;O4 [M-H]- 0.75 True 2.8 391.28537 C24H40O4 BileAcid RUDATBOHQWOJDD-UZVSRGJWSA-N C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C 430 True True True False False null null 83.7 99.7 5.7 75 100 16.19 YILU0373-neg-3 391.28842:57444 392.29177:16159 393.29513:4022 59.01394:17948 59.05201:60 59.13684:63 331.26578:423 391.28793:251 262707 2408585 400420 396784 1188761 1308123 3443408 1344339 1505040 1166636 2014765 1262086 1639220 2183223 1164258 1318948 867124.03125 1659384.5625 1597083.14583333 1029636.51998855 882438.262551285 423488.653403115 169 7.854 391.28903 ST 24:1;O4 [M-H]- 0.312 True 2.8 391.28537 C24H40O4 BileAcid RUDATBOHQWOJDD-UZVSRGJWSA-N C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C 430 True True True False False null null 83.5 99.9 5.8 75 100 28.77 YILU0372-neg-1 391.2886:28729 392.29195:7389 393.29531:1525 44.99841:57 59.01419:9692 331.23386:73 331.26859:257 391.28851:146 151719 319929 322404 189233 394851 375185 382091 343810 362324 339217 343502 340822 339442 343698 354052 357956 245821.3046875 366246.213541667 346578.625 88344.5811426067 21902.1089876478 7577.84401847645 170 5.207 391.28934 w/o MS2:FAHFA 2:0/22:3;O [M-H]- 0.312 True 6.36 391.2854 C24H40O4 FAHFA DPQDELJPKXRVKY-UHFFFAOYSA-N O=C(O)CCCCCCCC(OC(=O)C)C=CCC=CCC=CCCCCC 530 True True False False False null null 69.1 100 null null null 5.92 YILU0373-neg-1 391.28934:12851 392.29269:2953 393.29605:432 59.014:4635 331.26614:71 36408 89226 194935 127282 200989 185881 192714 186303 182219 203918 179233 178304 168165 185206 191942 217849 111962.567382813 192004.1484375 186782.997395833 66694.6025409187 8819.51050064964 17144.9769652117 171 3.464 398.30533 Unknown [M-H]- similar chromatogram in higher mz_181 0.688 False null null null null null null 999 False False False False False null null null null null null null 77.37 YILU0373-neg-2 398.30533:4824 399.30868:1339 400.31204:2160 0 0 0 0 24143 23714 24681 28038 27110 28334 31167 33938 32136 36368 39784 37345 0 26003.2545572917 35122.9482421875 0 2061.29904388384 3292.2125701711 172 4.232 403.30698 w/o MS2:FA 22:0;4O [M+FA-H]- adduct linked to 178_[M+Hac-H]- 0.75 True 6.5 403.30649 C22H44O6 OxFA IDIWWNDEAVLOTJ-UHFFFAOYSA-N O=C(O)CCCCCCCC(O)C(O)CCCCCCCC(O)CCCCO 530 True True False False False null null 99.9 100 null null null 264.38 YILU0373-neg-1 403.30698:17420 404.31033:5618 405.31369:938 44.99773:7394 45.08528:52 0 1141 631 1203 94382 92671 93666 89074 86965 89593 69748 68386 73423 122649 114323 120773 743.816970825195 91058.3333333333 94883.48828125 558.20261152084 2942.39563595018 26883.2048964195 173 3.467 408.33585 Unknown [M+FA-H]- adduct linked to 182_[M+Hac-H]-; similar chromatogram in higher mz_177 0.75 True null null null null null null 999 False False False False False null null null null null null null 778.86 YILU0370-neg-1 408.33499:37525 409.33834:9109 410.3417:1527 44.99788:11592 61.98759:72 0 0 0 0 295072 290461 289772 329252 327337 336256 290776 290454 289519 348494 324022 352000 0 311358.401041667 315877.442708333 0 21740.7302202015 29685.6354599773 174 2.426 411.27341 Unknown [M-H]- similar chromatogram in higher mz_324 0.75 False null null null null null null 999 False False False False False null null null null null null null 101.05 YILU0371-neg-3 411.27341:5509 412.27676:1376 413.28012:0 0 0 0 0 50415 54180 50974 53160 54738 53613 51403 48659 51385 47015 44085 48849 0 52846.578125 48566.2024739583 0 1758.71498517132 2777.29701670577 175 1.705 413.29077 Unknown [M-H]- 0.75 True null null null null null null 999 False False False False False null null null null null null null 138.7 YILU0370-neg-1 413.29099:6956 414.29434:1865 415.2977:277 239.16554:56 255.15823:61 265.17886:57 283.22818:79 321.24091:113 325.20251:288 345.24231:312 363.25421:616 364.25467:61 413.28979:1585 0 0 0 0 52646 49336 50460 65351 66660 65184 38383 37467 36548 46473 49372 45469 0 58273.0071614583 42285.4016927083 0 8255.55495884474 5463.64247239221 176 2.894 413.29089 Unknown [M-H]- 0.75 True null null null null null null 999 False False False False False null null null null null null null 154.57 YILU0370-neg-1 413.29092:8314 414.29427:2223 415.29763:416 59.01425:4559 0 0 0 0 81978 83296 82390 82453 82081 81999 80009 81059 76005 69385 61331 69156 0 82366.2135416667 72824.2044270833 0 497.84876951371 7575.38948139207 177 3.474 415.30573 Unknown [M-H]- 0.75 False null null null null null null 999 False False False False False null null null null null null null 82.63 YILU0370-neg-2 415.30573:4490 416.30908:1123 417.31244:259 0 0 0 0 34759 37269 37462 35684 36824 33689 34265 34732 37605 32361 30819 33825 0 35948.1236979167 33934.529296875 0 1509.36983139899 2298.27772372166 178 4.234 417.32294 Unknown [M+Hac-H]- adduct linked to 172_[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 475.15 YILU0370-neg-1 417.32239:47088 418.32574:14610 419.3291:2596 59.01408:25071 59.09597:51 417.31949:51 217 10642 8551 7849 331135 326942 322289 311580 321418 319948 258220 264010 256532 448258 406157 450416 6814.7583770752 322218.520833333 347265.489583333 4555.90445821354 6645.172746816 97366.2954317709 179 1.039 418.97421 Unknown [2M+Hac-H]- ion correlated with 112; adduct linked to 70_[M+Hac-H]- 0.562 False null null null null null null 999 False False False False False null null null null null null null 88.03 YILU0370-neg-2 418.97421:4898 419.97756:592 420.98092:697 0 0 0 0 36914 37265 36833 33072 33708 31461 14997 14144 12357 34694 35325 32182 0 34875.5393880208 23949.912109375 0 2448.11345955466 11165.0962823697 180 1.45 421.22739 w/o MS2:RIKEN N-VS1 ID-1637 from Mouse_AdrenalGlands_WT_N_Ctr [M-H]- ion correlated with 268; similar chromatogram in higher mz_676; similar chromatogram in higher mz_696 0.75 True 5.13 421.2226 Unknown 530 True True False False False null null 74.1 99.9 null null null 658.41 YILU0370-neg-2 421.22739:99943 422.23074:20748 423.2341:4494 44.99609:85 80.96556:4946 227.12347:65 291.08813:71 420.89377:53 421.11169:131 421.22659:47972 421.63553:50 421.6965:63 0 0 0 0 942677 959700 892607 943405 918875 866902 694196 764638 797487 767148 784271 841628 0 920694.229166667 774894.614583333 0 35231.3239056717 48433.728482449 181 3.471 421.34351 Unknown [M-H]- 0.75 True null null null null null null 999 False False False False False null null null null null null null 62.03 YILU0370-neg-1 421.3443:5784 422.34765:173927 423.35101:41760 59.01411:4128 255.23055:56 421.22595:202 0 0 0 0 44017 44121 43129 49690 51343 52016 43796 43661 45978 54667 49740 54688 0 47386.005859375 48755.0319010417 0 4062.84938316183 5086.66441578538 182 3.467 422.35132 Unknown [M+Hac-H]- adduct linked to 173_[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 2586.22 YILU0370-neg-1 422.35114:123993 423.35449:41760 424.35785:5891 59.01414:64753 59.17335:50 60.01678:78 61.98723:85 0 0 0 0 943870 972913 940083 1104777 1114042 1104445 961829 959249 970527 1231633 1121272 1227268 0 1030021.77083333 1078629.70833333 0 85975.6221181209 131834.878152213 183 1.054 434.94699 Unknown [M-H]- ion correlated with 118 0.75 True null null null null null null 999 False False False False False null null null null null null null 166.01 YILU0370-neg-1 434.94742:7998 435.95077:854 436.95413:1663 59.01409:4886 141.00288:55 141.01695:354 0 0 0 0 64466 68289 65281 56215 56762 56427 83655 81782 81840 79236 76429 77772 0 61239.9733072917 80118.8958333333 0 5383.12661866453 2761.78454577593 184 2.769 437.29062 Unknown [M-H]- 0.75 True null null null null null null 999 False False False False False null null null null null null null 128.56 YILU0370-neg-1 437.2908:5084 438.29415:1796 439.29751:304 59.01403:2310 379.15659:70 0 0 0 0 53885 56506 54868 67400 68866 67132 82479 83961 84155 62639 55855 63608 0 61442.8893229167 72116.2532552083 0 7038.17763760621 12800.3207214702 185 1.214 445.1864 Unknown [M-H]- 0.75 True null null null null null null 999 False False False False False null null null null null null null 183.84 YILU0370-neg-1 445.18707:9025 446.19042:2121 447.19378:612 59.01417:3333 0 0 0 0 69590 65318 68494 81988 79019 81730 65130 64739 66558 86480 86915 83159 0 74356.6673177083 75496.58984375 0 7390.70095102128 11070.9157606888 186 4.471 445.35309 Unknown [M-H]- ion correlated with 390; ion correlated with 584 0.5 False null null null null null null 999 False False False False False null null null null null null null 56.73 YILU0370-neg-2 445.35309:3362 446.35644:1015 447.3598:203 0 0 0 0 21785 22813 20743 19992 20774 21811 19995 20198 20075 18247 17547 19140 0 21319.4778645833 19200.4417317708 0 1008.2867142857 1098.89792180263 187 5.885 445.36902 w/o MS2:RIKEN N-VS1 ID-1787 from Mouse_Feces_WT_N_Ctr [M-H]- 0.75 True 8.51 445.3699 Unknown 530 True True False False False null null 99.6 100 null null null 374.94 YILU0370-neg-3 445.36902:24307 446.37237:12011 447.37573:1261 150.06171:57 162.06779:229 177.09222:524 427.3606:55 445.27579:126 445.3685:17173 445.47226:66 445.55811:54 445.62878:60 0 0 0 0 154252 156519 165439 124722 123607 132657 165193 161264 155335 110818 119110 110118 0 142865.947916667 136972.99609375 0 18055.108066804 26260.0281315746 188 7.78 449.34268 Unknown [M-H]- ion correlated with 840 0.75 True null null null null null null 999 False False False False False null null null null null null null 158.18 YILU0370-neg-1 449.34268:27779 450.34603:9025 451.34939:1560 44.99746:71 238.09818:99 434.31836:492 449.34216:15774 449.44592:74 0 0 0 0 209828 212259 202485 217221 211916 209058 205831 212109 215068 187682 163434 182163 0 210461.315104167 194381.341145833 0 4838.18017206722 20125.5220493853 189 1.07 450.92258 Unknown [2M+Hac-H]- adduct linked to 78_[M+Hac-H]- 0.75 True null null null null null null 999 False False False False False null null null null null null null 220.01 YILU0370-neg-1 450.92233:6118 451.92568:891 452.92904:1953 59.01385:291 156.96223:127 156.99078:3846 254.96629:354 352.94162:129 0 0 0 0 49625 54166 53081 42921 43747 42095 207181 209045 207014 76453 75918 74885 0 47605.853515625 141749.2109375 0 5372.18376536475 72301.5442461719 190 0.89 451.12149 Unknown [M-H]- ion correlated with 39; ion correlated with 124 0.188 False null null null null null null 999 False False False False False null null null null null null null 92.33 YILU0372-neg-3 451.12149:4644 452.12484:1167 453.1282:2354 0 0 0 0 2759 3258 3440 5033 4463 5326 26303 26348 26892 11207 11148 10711 0 4046.67154947917 18768.3177083333 0 1042.08849003316 8489.77369115681 191 1.063 452.92078 Unknown [M-H]- ion correlated with 129; ion correlated with 295 0.188 False null null null null null null 999 False False False False False null null null null null null null 110.71 YILU0372-neg-2 452.92078:5743 453.92413:491 454.92749:357 0 0 0 0 13318 14969 12652 11899 12672 11866 51619 53549 50893 21318 20447 19390 0 12895.9954427083 36202.4456380208 0 1152.55630390148 17359.8528271655 192 2.068 461.27463 Unknown [M-H]- 0.062 False null null null null null null 999 False False False False False null null null null null null null 32.8 YILU0370-neg-3 461.27463:3064 462.27798:1150 463.28134:400 0 0 0 0 21742 22068 22754 22218 20685 22125 15987 16267 16376 20646 18658 18472 0 21931.9117838542 17734.2919921875 0 693.525069430833 1839.71456408342 193 5.86 461.36292 w/o MS2:RIKEN N-VS1 ID-1895 from Mouse_SmallIntestine_WT_N_F1EPA [M-H]- ion correlated with 873 0.062 False 8.26 461.3627 Unknown 530 True True False False False null null 100 100 null null null 26.27 YILU0370-neg-3 461.36292:4961 462.36627:2249 463.36963:485 0 0 0 0 31984 30628 31227 25634 26124 25105 27674 26808 26688 20275 22000 21905 0 28450.21875 24224.9453125 0 3145.42157300477 3180.34080515907 194 6.071 461.36298 w/o MS2:RIKEN N-VS1 ID-1895 from Mouse_SmallIntestine_WT_N_F1EPA [M-H]- ion correlated with 689; ion correlated with 219; ion correlated with 739 0.125 False 8.26 461.3627 Unknown 530 True True False False False null null 100 100 null null null 54.87 YILU0371-neg-2 461.36298:4772 462.36633:2065 463.36969:0 0 0 0 0 47146 47433 44766 47286 47076 43347 41549 45158 42650 44641 41802 46351 0 46175.7447916667 43691.966796875 0 1706.08207684022 1968.11909021376 195 3.172 465.30673 w/o MS2:ST 27:1;O;S [M-H]- ion correlated with 125; similar chromatogram in higher mz_252 0.75 True 6.72 465.30441 C27H46O4S SSulfate BHYOQNUELFTYRT-UHFFFAOYSA-N O=S(=O)(O)OC1CC2=CCC3C(CCC4(C)C(CCC34)C(C)CCCC(C)C)C2(C)CC1 530 True True False False False null null 97.3 99.9 null null null 47.76 YILU0373-neg-3 465.30673:7805 466.31008:2280 467.31344:882 255.23216:5300 0 0 0 0 70330 71955 72497 75161 75817 76395 71990 71575 72731 67910 68384 71838 0 73692.53515625 70737.9283854167 0 2438.25590305809 2049.02696443027 196 5.874 467.35184 Unknown [M-H]- ion correlated with 787; ion correlated with 873; ion correlated with 652; ion correlated with 815; similar chromatogram in higher mz_453 0.688 False null null null null null null 999 False False False False False null null null null null null null 67.39 YILU0372-neg-2 467.35184:3661 468.35519:2117 469.35855:444 0 0 0 0 20575 21788 21798 19518 20881 21293 21518 22925 21145 19324 21649 20932 0 20975.4547526042 21249.0003255208 0 863.935124403556 1171.22739487397 197 1.983 473.28259 w/o MS2:RIKEN N-VS1 ID-2002 from Mouse_Feces_WT_N_Ctr [M-H]- 0.75 True 7.11 473.28259 Unknown 530 True True False False False null null 100 99.9 null null null 203.29 YILU0370-neg-3 473.28259:11843 474.28594:3182 475.2893:853 263.19925:87 473.20822:129 473.28287:6290 473.40479:59 0 0 0 0 63839 65269 67596 57298 57202 59874 51538 51246 52110 51096 61331 51664 0 61846.35546875 53164.0481770833 0 4356.61204873283 4016.70056643018 198 7.067 473.39841 Unknown [M-H]- 0.75 True null null null null null null 999 False False False False False null null null null null null null 155.62 YILU0370-neg-1 473.40045:17873 474.4038:7333 475.40716:871 41.00218:154 473.28418:56 473.32742:105 473.39963:10586 473.4614:68 473.49527:54 473.75885:54 56570 65864 68248 69353 154104 164615 155104 148996 152257 149654 159952 161038 160272 171282 162510 164515 65008.9326171875 154121.677083333 163261.473958333 5811.02465821678 5670.83173542907 4272.8425460239 199 1.674 483.27286 LPG 16:0 [M-H]- ion correlated with 426 0.75 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 98.7 89.6 100 76.13 YILU0370-neg-2 483.27286:4428 484.27621:841 485.27957:0 118.58279:64 152.99585:160 255.19185:53 255.2323:1910 483.27319:607 0 0 0 0 31527 31870 28898 30985 30557 29139 24000 25079 25886 27646 28936 29324 0 30496.1435546875 26812.013671875 0 1232.29487015318 2158.0559867501 200 2.48 484.33026 w/o MS2:Cer 15:3;3O/9:0;(2OH) [M-H]- similar chromatogram in higher mz_201 0.312 False 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 97.5 99.9 null null null 67.66 YILU0373-neg-2 484.33026:3660 485.33361:105407 486.33697:24048 0 0 0 0 23247 25998 24009 26371 27598 27730 24505 24373 23456 32302 32277 31162 0 25825.4651692708 28012.5869140625 0 1846.4244394251 4308.46734493361 201 2.48 485.33823 LPE 18:1(d7) [M-H]- 0.75 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 84.5 99.9 51.3 47.4 100 1343.55 YILU0371-neg-1 485.33841:68801 486.34176:19233 487.34512:2075 140.01167:131 196.00941:62 196.03703:238 214.04938:117 288.23608:74 288.29257:5356 484.69638:52 485.19855:81 485.33774:36184 485.72998:52 0 0 0 0 512747 511544 506491 605777 602326 588040 543635 542435 537925 711228 722535 695595 0 554487.734375 625558.833333333 0 48857.0270004206 92681.3367513221 202 1.192 487.15076 Unknown [M-H]- 0.562 False null null null null null null 999 False False False False False null null null null null null null 74.08 YILU0372-neg-1 487.15076:4844 488.15411:1584 489.15747:1102 0 0 0 0 22260 21475 24080 18504 16892 21807 35198 31805 31577 23225 22059 19238 0 20836.1979166667 27183.8447265625 0 2641.92128672032 6480.13516369347 203 2.266 487.29144 Unknown [M-H]- 0.75 True null null null null null null 999 False False False False False null null null null null null null 117.51 YILU0370-neg-1 487.29123:6203 488.29458:2289 489.29794:805 187.11819:50 277.17618:62 277.21692:4006 288.28748:60 290.29745:63 0 0 0 0 52562 51425 52321 49350 49210 51525 44031 45105 46025 52900 50693 48277 0 51065.560546875 47838.6595052083 0 1452.03061960844 3441.32529735184 204 0.961 487.30457 w/o MS2:RIKEN N-VS1 ID-2096 from Mouse_Feces_WT_N_Ctr [M-H]- 0.188 True 1.62 487.30701 Unknown 530 True True False False False null null 97.1 100 null null null 62.49 YILU0373-neg-3 487.30457:3192 488.30792:1737 489.31128:2290 59.01459:59 130.06909:57 141.01587:128 291.00589:119 487.30417:917 0 0 0 0 12962 12792 11708 16276 15783 15527 5592 5715 6767 16265 16555 17026 0 14174.6544596354 11319.9088541667 0 1912.95321663698 5820.25481206598 205 2.005 489.27649 w/o MS2:RIKEN N-VS1 ID-2112 from Mouse_BAT_fads2KO_N_Ctr [M-H]- 0.188 False 6.23 489.27881 Unknown 530 True True False False False null null 97.3 99.9 null null null 67.11 YILU0370-neg-3 489.27649:3781 490.27984:1056 491.2832:254 0 0 0 0 19029 17973 19302 9294 9143 8997 7844 8338 7278 7353 8349 7153 0 13956.2731119792 7719.12117513021 0 5290.54497497519 537.576328367293 206 2.734 489.30658 Unknown [M-H]- ion correlated with 132 0.75 True null null null null null null 999 False False False False False null null null null null null null 122.47 YILU0370-neg-1 489.30667:6181 490.31002:2246 491.31338:724 279.23227:5208 0 0 0 0 56379 60420 59776 53941 55930 57361 50018 49531 48544 60636 59794 55283 0 57301.25390625 53967.6158854167 0 2444.40385455859 5382.47684645484 207 3.315 491.32269 w/o MS2:RIKEN N-VS1 ID-2125 from Mouse_Feces_WT_N_Ctr [M-H]- 0.438 False 7.18 491.32101 Unknown 530 True True False False False null null 98.6 99.9 null null null 46.28 YILU0370-neg-2 491.32269:3652 492.32604:1107 493.3294:442 0 0 0 0 27165 31866 30118 26865 29320 28426 25007 26150 25420 24665 23085 24820 0 28959.923828125 24857.7994791667 0 1887.50866956243 1018.84949973824 208 6.64 491.35928 Unknown [M+FA-H]- adduct linked to 215_[M+Hac-H]- 0.75 True null null null null null null 999 False False False False False null null null null null null null 26.34 YILU0370-neg-1 491.35928:12032 492.36263:4157 493.36599:1565 44.99784:2813 53636 48735 38213 171023 113881 108205 111395 102504 103231 98857 99191 96173 97785 106054 106650 103032 77901.7900390625 106345.489583333 101480.86328125 62413.0774403732 5766.87476767119 4407.27640202611 209 6.899 491.35938 Unknown [M-H]- 0.062 True null null null null null null 999 False False False False False null null null null null null null 49.69 YILU0361-neg-1 491.35938:10821 492.36272:3558 493.36608:975 44.99781:2283 59.01365:105 331.26584:61 491.36041:94 130773 336147 48632 129076 15310 90403 15946 13267 11830 87913 88767 84574 86525 94529 2509 86158 161156.80859375 39111.4505208333 73843.6205647786 122794.948343705 38801.4700720985 35119.3729570097 210 7.019 491.35956 Unknown [M-H]- 0.188 True null null null null null null 999 False False False False False null null null null null null null 64.4 PostRun1 491.35822:9646 492.36157:3352 493.36493:1066 44.99773:2223 359.23407:54 491.35413:53 264376 223289 486891 293320 96388 90403 87386 91636 95065 87913 88767 84574 86525 94529 97738 86158 316968.8046875 91465.1184895833 89715.234375 116868.383951216 3677.26483494441 5247.89890327539 211 4.108 493.33878 w/o MS2:RIKEN N-VS1 ID-2138 from Mouse_Feces_WT_N_Ctr [M-H]- 0.312 False 7.42 493.33691 Unknown 530 True True False False False null null 98.3 99.9 null null null 41.3 YILU0370-neg-1 493.33878:4423 494.34213:1559 495.34549:522 81 0 0 0 41556 37345 36336 31082 30752 30427 27976 28613 31885 24443 21655 22738 20.2141418457031 34582.8863932292 26218.25 40.4282836914063 4550.28747018534 3924.94668223697 212 5.243 505.37286 Unknown [M-H]- ion correlated with 348 0.625 False null null null null null null 999 False False False False False null null null null null null null 4.22 YILU0370-neg-2 505.37286:5471 506.37621:2096 507.37957:796 4554 19246 16345 16838 75181 73401 72235 68324 69790 69094 67821 68301 66385 85041 81664 73061 14245.7119140625 71337.5807291667 73712.2369791667 6584.44176812051 2696.40356397662 7869.89023154758 213 10.43 505.37488 Unknown [M-H]- 0.188 True null null null null null null 999 False False False False False null null null null null null null 4.04 YILU0370-neg-1 505.37488:17497 506.37823:5472 507.38159:1605 59.01402:5283 59.22968:57 171.13657:101 258.98691:54 313.25366:70 445.35233:487 91493 349776 190199 112581 190457 609008 320065 563088 287681 113490 335780 219727 257296 298977 324478 295625 186012.240234375 347297.990885417 288647.1953125 117135.54856899 199308.174088174 43344.3080480565 214 7.028 505.37503 Unknown [M-H]- 1 True null null null null null null 999 False False False False False null null null null null null null 78.48 PostRun1 505.3743:18551 506.37765:6286 507.38101:1616 59.01381:5468 373.27631:90 445.35464:606 505.375:205 1007969 1340484 939064 1089708 1180050 1154800 589177 569676 587800 559923 570848 1088735 561754 1138507 1095656 1127344 1094306.0625 773570.96875 930473.96875 175289.044989076 305382.157113038 282720.013655117 215 6.633 505.37503 Unknown [M+Hac-H]- adduct linked to 208_[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 27.19 YILU0370-neg-1 505.37521:28528 506.37856:11272 507.38192:3984 59.01414:9116 373.27765:97 445.24536:66 445.35458:1000 505.37247:253 72393 77433 59429 70280 398595 316997 404469 374100 381145 377491 356073 345535 352520 378494 388334 374219 69883.8056640625 375466.265625 365862.369791667 7588.45652656522 31089.9888763119 16860.8276062286 216 6.175 505.37503 Unknown [M-H]- ion correlated with 556 0.688 True null null null null null null 999 False False False False False null null null null null null null 11.57 YILU0370-neg-1 505.37503:14238 506.37838:5250 507.38174:2200 59.01401:3970 373.27811:52 445.35324:411 505.36865:117 40699 41600 33198 38287 237343 237525 241762 144336 216185 216995 225590 229231 220711 239682 218366 234133 38446.052734375 215690.981770833 227952.065104167 3767.81460338385 36657.0494371018 8091.12147747296 217 7.849 505.37509 Unknown [M-H]- 0.562 True null null null null null null 999 False False False False False null null null null null null null 16.73 YILU0370-neg-1 505.37509:18462 506.37844:6462 507.3818:2381 59.01406:5976 331.26556:66 445.35333:597 505.35245:67 505.37704:206 91155 83967 21523 64098 204567 191423 200922 182809 189453 191712 182160 185058 180094 198842 186350 193903 65185.7827148438 193480.958333333 187734.583333333 31276.7221727209 7946.93265625999 7210.68212843898 218 8.682 505.37509 Unknown [M-H]- 0.062 True null null null null null null 999 False False False False False null null null null null null null 7.59 YILU0372-neg-1 505.37509:13618 506.37844:4376 507.3818:1267 59.01406:4023 445.35202:528 505.37537:159 125056 166943 68604 141742 122362 128037 116327 126100 122534 117629 135959 121968 126966 133314 118772 122279 125586.55078125 122164.859375 126542.903645833 41707.8113159332 4577.96979969174 6843.7891101973 219 6.102 507.37009 w/o MS2:RIKEN N-VS1 ID-2266 from Mouse_Feces_WT_N_Ctr [M+FA-H]- ion correlated with 194; ion correlated with 689; adduct linked to 223_[M+Hac-H]- 0.625 False 7.76 507.36609 Unknown 530 True True False False False null null 92.3 100 null null null 25.83 YILU0373-neg-1 507.37009:5163 508.37344:1744 509.3768:313 11234 9674 2527 7351 52866 53202 51963 51586 45963 52080 45819 46352 50468 57801 55396 55085 7696.26428222656 51276.8658854167 51820.146484375 3797.89789236236 2671.27863591803 5038.84755212144 220 3.169 511.47235 w/o MS2:RIKEN N-VS1 ID-2305 from Mouse_Feces_WT_ABX_Ctr [2M-H]- ion correlated with 589; adduct linked to 79_[M-H]- 0.75 False 11.57 511.47461 Unknown 530 True True False False False null null 97.5 99.6 null null null 83.88 YILU0371-neg-2 511.47235:4797 512.4757:2178 513.47906:518 0 0 0 0 26569 27120 27955 30662 32164 30296 28599 29271 29101 22971 21742 20813 0 29127.6253255208 25416.00390625 0 2231.14744601715 3981.07064811766 221 2.587 513.30737 Unknown [M-H]- 0.75 False null null null null null null 999 False False False False False null null null null null null null 83.69 YILU0372-neg-1 513.30737:4366 514.31072:1594 515.31408:554 0 0 0 0 34035 34274 34180 35872 34213 35558 34552 32191 32280 33360 34637 32930 0 34688.5970052083 33324.9544270833 0 805.076245280044 1073.69431729277 222 4.287 519.36945 w/o MS2:SE 24:1;O4/7:0;1O [M-H]- 0.75 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 99.9 100 null null null 348.67 YILU0370-neg-2 519.36945:25296 520.3728:10206 521.37616:1641 44.99744:82 69.03373:101 83.03071:55 83.04982:264 95.04859:60 163.07642:50 189.0919:15107 189.16537:94 189.17558:61 207.10172:471 255.23228:728 263.1293:66 519.367:858 0 0 0 0 174002 174023 174878 141213 140465 138556 75685 76496 76952 93952 89119 97337 0 157189.614583333 84923.4752604167 0 18767.5634512461 9727.53555433492 223 6.085 521.38452 Unknown [M+Hac-H]- ion correlated with 803; adduct linked to 219_[M+FA-H]-; similar chromatogram in higher mz_689 0.75 True null null null null null null 999 False False False False False null null null null null null null 251.38 YILU0370-neg-1 521.38428:11946 522.38763:5243 523.39099:869 59.01408:5789 92.01153:446 175.0769:109 419.35672:89 429.37485:170 461.09839:76 0 0 0 0 93210 95157 88655 100276 103761 100897 90896 88052 89826 108099 100972 103911 0 96992.87109375 96959.2864583333 0 5639.63914742146 8431.89645205863 224 6.002 524.46942 w/o MS2:Cer 12:0;2O/20:1;(2OH) [M-H]- adduct linked to 239_[M+FA-H]-; adduct linked to 249_[M+Hac-H]- 0.75 False 8.64 524.46838 C32H63NO4 Cer_ADS ZBYKSNVGXZEYGS-UHFFFAOYSA-N O=C(NC(CO)C(O)CCCCCCCCC)C(O)CCCCCCCCC=CCCCCCCCC 530 True True False False False null null 99.5 100 null null null 82.14 YILU0370-neg-1 524.46942:4586 525.47277:1853 526.47613:296 0 0 0 0 33703 31944 30891 31569 32855 31058 28466 29624 28490 28119 26304 30499 0 32003.5201822917 28583.5859375 0 1089.7199920777 1427.30581116889 225 6.266 526.48291 w/o MS2:Cer 12:0;2O/20:0;(2OH) [M-H]- ion correlated with 350; ion correlated with 638; ion correlated with 241; similar chromatogram in higher mz_325; adduct linked to 241_[M+FA-H]-; adduct linked to 250_[M+Hac-H]-; similar chromatogram in higher mz_638 0.75 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 99.3 100 null null null 90.44 YILU0371-neg-1 526.48291:4983 527.48626:1984 528.48962:380 0 0 0 0 34429 33203 32515 33587 33030 32291 30230 32038 31995 30105 28043 28757 0 33176.0224609375 30194.5120442708 0 772.0023978752 1633.65237589948 226 8.247 529.46198 Cer 18:1;2O/15:0(d7) [M-H]- 0.75 True null null null null null null 999 True False False False True null null null null null null null 248.78 YILU0372-neg-3 529.46198:14408 530.46533:5744 531.46869:1010 41.00293:89 61.98855:53 269.28079:67 529.33289:62 529.46143:9525 529.5545:51 529.67273:66 29072 38032 30454 28714 84565 87103 88584 89354 86394 88269 100871 102465 104480 94598 96786 97077 31567.7651367188 87378.1848958333 99379.51171875 4374.19502333064 1738.4686157846 3811.84765013063 227 1.056 532.92462 Unknown [M-H]- ion correlated with 38 0.75 False null null null null null null 999 False False False False False null null null null null null null 72.95 YILU0372-neg-1 532.92462:5641 533.92797:498 534.93133:1671 0 0 0 0 31412 32122 32550 26606 25111 26183 51142 47257 49393 39949 41694 38737 0 28997.5247395833 44695.2057291667 0 3375.15267254863 5238.82671587019 228 3.17 533.45514 w/o MS2:RIKEN N-VS1 ID-2501 from Mouse_Macrophage_WT_N_F1AA [M-H]- 0.75 True 6.28 533.45813 Unknown 530 True True False False False null null 65.3 100 null null null 70.55 YILU0371-neg-1 533.45514:6218 534.45849:2385 535.46185:391 59.01218:84 255.23067:438 533.34491:64 533.40094:113 533.4538:3509 0 0 0 0 36301 35892 36944 40776 41064 38359 34336 32984 33233 28608 22707 26887 0 38222.693359375 29792.4781901042 0 2252.70465774295 4532.66395513527 229 0.895 539.13904 Unknown [M-H]- similar chromatogram in higher mz_265; similar chromatogram in higher mz_290 0.75 True null null null null null null 999 False False False False False null null null null null null null 578.87 YILU0370-neg-1 539.13855:7526 540.1419:2086 541.14526:3969 34.96874:75 377.08005:91 395.11887:52 503.16104:295 539.02905:58 539.13806:6018 0 0 0 0 43449 41095 42474 86710 90566 90398 354033 350666 352102 177698 183253 183116 0 65782.1627604167 266811.361979167 0 25727.9830957133 93639.4144732182 230 0.894 541.13702 Unknown [M-H]- ion correlated with 69; ion correlated with 28; ion correlated with 19; ion correlated with 43; ion correlated with 122; ion correlated with 143 0.562 False null null null null null null 999 False False False False False null null null null null null null 179.82 YILU0372-neg-2 541.13702:19956 542.14037:5965 543.14373:1250 0 0 0 0 14658 13486 13565 26989 26190 25839 112921 113583 113552 55173 53479 53170 0 20120.9602864583 83646.2376302083 0 6834.46790819999 32548.904558836 231 3.3 541.35376 Unknown [M-H]- 0.75 True null null null null null null 999 False False False False False null null null null null null null 211.1 YILU0370-neg-1 541.35376:18379 542.35711:7017 543.36047:1416 69.03485:78 81.03649:84 95.05059:60 189.0918:12606 189.15665:50 189.31767:56 207.10268:209 277.21652:530 541.35345:798 0 0 0 0 137681 133698 134662 102075 104977 108321 49137 46602 47084 65806 56525 67399 0 120235.477864583 55425.3678385417 0 16722.8166742118 9373.67631079448 232 3.803 543.36841 Unknown [M-H]- 0.562 True null null null null null null 999 False False False False False null null null null null null null 110.8 YILU0370-neg-1 543.36841:7467 544.37176:2693 545.37512:507 83.0494:54 91.00286:65 189.05145:62 189.09134:3914 207.1012:229 279.23181:315 543.36621:338 0 0 0 0 60094 59852 56792 46898 46994 46364 23988 24247 24823 31493 31279 32034 0 52832.2330729167 27977.3440755208 0 6764.9856218859 3987.3566127427 233 4.365 545.38403 w/o MS2:RIKEN N-VS1 ID-2592 from Mouse_SmallIntestine_WT_N_F1AA [M-H]- 0.188 False 8.82 545.3833 Unknown 530 True True False False False null null 99.7 99.9 null null null 68.51 YILU0370-neg-3 545.38403:3575 546.38738:1507 547.39074:394 0 0 0 0 24443 22184 24936 19034 18956 19371 11057 10955 10064 12152 12065 12834 0 21487.4384765625 11520.9228515625 0 2757.82036128282 1007.76256141736 234 1.717 547.31226 w/o MS2:DGGA 10:0_8:0 [M-H]- 0.688 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 96.83 YILU0370-neg-1 547.31226:6000 548.31561:1704 549.31897:384 59.01426:82 101.02475:81 161.04486:69 235.08086:55 251.20081:3395 253.0647:88 253.0927:574 0 0 0 0 47781 46667 46905 46276 44548 45263 27039 26074 25173 34842 35339 33007 0 46239.9114583333 30245.8824869792 0 1167.86152742227 4649.80936739655 235 1.067 548.8996 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 156.4 YILU0372-neg-1 548.89996:11666 549.90331:1281 550.90667:3725 59.01422:1773 156.95807:97 156.99078:6971 157.27499:51 254.96629:331 0 0 0 0 20701 20270 20776 15622 16619 15992 102553 101713 102090 31751 31070 30332 0 18329.8995768229 66584.8942057292 0 2493.59112080131 38928.9591539079 236 1.063 550.89777 Unknown [M-H]- ion correlated with 298; ion correlated with 448 0.188 False null null null null null null 999 False False False False False null null null null null null null 72.6 YILU0372-neg-2 550.89777:3823 551.90112:507 552.90448:442 0 0 0 0 7085 7445 6863 6239 4822 5092 30863 33026 32451 10890 10741 9947 0 6257.68660481771 21319.6328125 0 1084.51579946537 11849.5643132762 237 6.579 556.49426 w/o MS2:Cer 12:0;3O/21:0;(2OH) [M+FA-H]- ion correlated with 708; ion correlated with 623; adduct linked to 240_[M+Hac-H]- 0.75 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 107.5 YILU0370-neg-1 556.49426:5749 557.49761:2965 558.50097:608 0 0 0 0 40421 40032 40384 40690 40101 38795 39463 36381 36711 36630 34311 37255 0 40070.626953125 36791.6419270833 0 668.612218697351 1655.50514641272 238 3.653 567.3692 w/o MS2:PG O-8:0_14:0 [M-H]- 0.5 False 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 96.9 99.9 null null null 76.69 YILU0370-neg-1 567.3692:4449 568.37255:2592 569.37591:714 0 0 0 0 29732 29471 28893 27106 27280 27795 15717 17059 16020 20759 18485 20451 0 28379.7923177083 18081.708984375 0 1136.24119775343 2183.18387507868 239 6.001 570.47382 w/o MS2:Cer 12:0;2O/19:1;(2OH) [M+FA-H]- ion correlated with 507; ion correlated with 249; adduct linked to 224_[M-H]- 0.375 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 100 100 null null null 62.62 YILU0370-neg-1 570.47382:3294 571.47717:1514 572.48053:472 0 0 0 0 23955 23904 23400 21877 22227 21036 20106 21618 21168 21686 21404 22681 0 22733.0716145833 21443.7171223958 0 1198.08261583076 835.126965368469 240 6.577 570.5108 w/o MS2:Cer 12:0;3O/22:0;(2OH) [M+Hac-H]- ion correlated with 789; ion correlated with 563; ion correlated with 645; adduct linked to 237_[M+FA-H]- 0.75 False 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 265.45 YILU0370-neg-1 570.5108:14514 571.51415:6137 572.51751:1194 0 0 0 0 99137 97970 95500 96204 96542 92887 91037 90144 89075 84196 78171 83952 0 96373.2890625 86095.8216145833 0 2152.23892592972 4913.10474890037 241 6.269 572.48914 w/o MS2:Cer 12:0;2O/19:0;(2OH) [M+FA-H]- ion correlated with 638; ion correlated with 225; adduct linked to 225_[M-H]- 0.75 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 99.9 100 null null null 90.72 YILU0370-neg-1 572.48914:5074 573.49249:2426 574.49585:451 0 0 0 0 37224 34854 35734 34019 31000 32697 30575 33578 32692 32532 32539 31851 0 34254.6217447917 32294.6376953125 0 2211.0265001572 1007.70427157693 242 1.867 573.32684 w/o MS2:MGDG O-15:3_3:0 [M-H]- 0.25 False 5.67 573.328 C27H46O9 EtherMGDG PIMUTIHMSXNKQF-UHFFFAOYSA-N O=C(OC(COCCCCCC=CCC=CCC=CCC)COC1OC(CO)C(O)C(O)C1O)CC 530 True True False False False null null 99.3 99.9 null null null 63.97 YILU0371-neg-2 573.32684:3340 574.33019:1314 575.33355:299 0 0 0 0 24587 18918 33206 18746 33086 10026 12022 8068 10467 14663 12538 12234 0 23094.8723958333 11665.1443684896 0 9071.15439918336 2217.07013545577 243 2.411 573.39014 w/o MS2:LPA 28:2 [M+FA-H]- adduct linked to 251_[M+CH3COO]-; similar chromatogram in higher mz_631 0.562 False 8.23 573.39258 C31H59O7P LPA MQWVUCNFXZWOSO-UHFFFAOYSA-N O=C(OCC(O)COP(=O)(O)O)CCCCCCCCCCCCCCCC=CCC=CCCCCCCC 530 True True False False False null null 97.1 99.8 null null null 69.13 YILU0373-neg-1 573.39014:3916 574.39349:1147 575.39685:0 0 0 0 0 26119 26202 24349 28407 26847 27681 21602 21038 21419 31773 29332 29281 0 26600.8173828125 25740.9440104167 0 1410.71583852567 4893.80022292465 244 2.162 575.3432 w/o MS2:DGGA 12:0_8:0 [M-H]- 0.125 False 6.65 575.34369 C29H52O11 DGGA IYKVGLBRYBVOGD-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCCCCCC)COC1OC(C(=O)O)C(O)C(O)C1O)CCCCCCC 530 True True False False False null null 99.9 99.9 null null null 63.83 YILU0370-neg-3 575.3432:3335 576.34655:1173 577.34991:304 0 0 0 0 31313 32016 34085 30517 31660 31417 21504 12143 23390 25187 23589 25040 0 31834.4459635417 21808.6936848958 0 1209.23192641173 4920.15610418727 245 6.858 575.53644 Unknown [M-H]- similar chromatogram in higher mz_674; similar chromatogram in higher mz_901 0.75 True null null null null null null 999 False False False False False null null null null null null null 514.89 YILU0370-neg-1 575.53772:23434 576.54107:8389 577.54443:1344 44.99758:2663 529.38873:50 529.45667:86 529.53064:3662 530.53833:89 575.45001:51 575.53577:2737 0 0 0 0 208411 211525 207122 242886 247442 224637 197001 200673 190930 312612 260380 296994 0 223670.46875 243098.3671875 0 17829.7312558014 54188.5773729553 246 2.266 577.42334 w/o MS2:FAHFA 21:4/17:4;O [M-H]- 0.75 True 8.57 577.42621 C38H58O4 FAHFA WEWZKBPFEXCVDE-UHFFFAOYSA-N O=C(O)CCC(OC(=O)CCCCCCCC=CCC=CCC=CCC=CCC)C=CCC=CCC=CCC=CCC 530 True True False False False null null 60.6 99.8 null null null 53.55 YILU0371-neg-3 577.42334:6492 578.42669:2876 579.43005:624 61.98923:58 277.21613:300 516.31921:83 577.33972:52 577.42395:4565 0 0 0 0 40042 39850 39533 41039 40775 43143 23804 23182 24066 29973 25920 28148 0 40730.3587239583 25849.0022786458 0 1311.41896987703 2711.81641677923 247 2.727 581.45428 w/o MS2:AAHFA 28:6/10:0;O [M-H]- 0.5 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 94.9 99.8 null null null 76.26 YILU0371-neg-2 581.45428:4327 582.45763:2232 583.46099:363 0 0 0 0 25184 24530 27122 23920 26888 25365 15125 15278 14878 21155 17539 18898 0 25501.4446614583 17145.5571289063 0 1273.57695058727 2530.28072431603 248 1.243 583.40161 Unknown [M-H]- 0.562 True null null null null null null 999 False False False False False null null null null null null null 81.57 YILU0370-neg-1 583.40094:13828 584.40429:6551 585.40765:1186 247.2067:66 291.10889:79 291.14178:219 291.19626:13162 291.25732:69 292.19839:51 0 0 0 0 99193 112757 74401 116357 114958 87574 8997 13931 15327 46997 49272 64758 0 100873.30078125 33213.7179361979 0 17086.714194404 23328.522537167 249 6.002 584.48828 w/o MS2:RIKEN N-VS1 ID-2943 from Mouse_Ear_WT_N_Ctr [M+Hac-H]- ion correlated with 507; ion correlated with 239; ion correlated with 224; adduct linked to 224_[M-H]- 0.75 False 8.87 584.48767 Unknown 530 True True False False False null null 99.8 100 null null null 27.11 YILU0370-neg-3 584.48828:3682 585.49163:1582 586.49499:393 0 0 0 0 25866 25905 26906 26138 27090 25772 25457 25691 25201 26286 24466 25969 0 26279.4560546875 25511.5465494792 0 572.337020864625 637.965529094074 250 6.264 586.50458 w/o MS2:Cer 12:0;2O/20:0;(2OH) [M+Hac-H]- similar chromatogram in higher mz_325; similar chromatogram in higher mz_874; adduct linked to 225_[M-H]-; similar chromatogram in higher mz_254 0.75 False 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 99.8 100 null null null 132.84 YILU0370-neg-1 586.50458:8208 587.50793:3982 588.51129:537 0 0 0 0 57273 53027 55069 55940 53023 55590 53192 53083 54544 52920 48284 50416 0 54987.08984375 52073.0247395833 0 1685.44766456469 2288.80908963228 251 2.411 587.40619 LPC 18:1(d7) [M+CH3COO]- adduct linked to 243_[M+FA-H]-; similar chromatogram in higher mz_838 0.75 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 False False null null 92.6 99.9 75.1 75.5 100 444.38 YILU0373-neg-1 587.40637:34759 588.40972:11579 589.41308:1625 59.0139:741 224.06836:387 288.26111:184 288.29297:5014 513.26874:109 513.36908:14792 513.46082:93 513.78088:53 514.37067:131 528.33069:63 587.4071:83 0 0 0 0 220195 223070 217957 255991 254249 250279 220069 222596 216425 280091 273116 285529 0 236956.739583333 249637.703125 0 18295.4650349395 33092.2672322745 252 3.172 587.50812 w/o MS2:AAHFA 28:3/10:0;O [M-H]- 0.75 True 11.5 587.50452 C38H68O4 FAHFA QVVIBYPYDXUQDF-UHFFFAOYSA-N O=C(OC(C(=O)O)CCCCCCCC)CCCCCCCCCCCCC=CCC=CCC=CCCCCCCC 530 True True False False False null null 95.4 99.7 null null null 40.27 YILU0371-neg-2 587.50812:16203 588.51147:6245 589.51483:1577 61.98718:62 255.23277:11896 256.23669:53 76 857 78 710 136594 138737 133744 143238 146107 137580 131744 137386 133437 122394 121677 120460 430.212808609009 139333.325520833 127849.67578125 412.354444032499 4545.42032760784 7208.23593243928 253 6.84 588.54541 Unknown [M-H]- ion correlated with 893; ion correlated with 258; similar chromatogram in higher mz_837 0.75 False null null null null null null 999 False False False False False null null null null null null null 70.06 YILU0373-neg-1 588.54541:7446 589.54876:179267 590.55212:61063 0 0 0 0 39210 39560 37787 51858 48080 47699 39907 40853 39612 60964 49743 55958 0 44032.4563802083 47839.3196614583 0 5887.71751663141 9178.48392861483 254 6.293 589.479 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 34.7 YILU0373-neg-2 589.479:3027 590.48235:1170 591.48571:210 0 0 0 0 21525 20712 21374 20282 20023 20288 18296 18298 18224 17730 21749 20434 0 20700.9173177083 19122.0061848958 0 622.562550276235 1595.59102553787 255 6.84 589.55304 Unknown [M-H]- similar chromatogram in higher mz_644 0.75 True null null null null null null 999 False False False False False null null null null null null null 2250.19 YILU0370-neg-1 589.55353:99476 590.55688:43027 591.56024:7270 59.01397:3126 223.20085:100 240.23199:88 244.26578:57 266.24942:373 270.27863:65 497.50607:81 499.51779:104 506.98416:56 526.42365:60 529.27368:53 529.39673:145 529.53204:49284 529.97009:65 530.10345:52 530.13794:73 530.33209:55 530.39319:57 530.53204:462 589.45343:50 589.55182:3513 0 0 0 0 846910 860351 853458 1038051 1016974 972448 860643 863752 833091 1289765 1053349 1193646 0 931365.364583333 1015707.6875 0 87913.2779288364 194252.84617604 256 2.064 591.26086 RIKEN N-VS1 ID-2999 from Mouse_Feces_WT_ABX_Ctr [M-H]- 0.75 True 5.5 591.26398 Unknown 430 True True True False False null null 83 99.9 80.3 79.9 60 103.43 YILU0372-neg-1 591.26038:8522 592.26373:3316 593.26709:584 471.21384:62 471.25394:114 497.22455:55 499.2132:67 500.21713:247 515.24384:4002 516.24329:84 559.23407:361 0 0 0 0 79953 83562 80752 77471 81885 81938 67886 68900 70954 69169 75955 67581 0 80926.9830729167 70074.0520833333 0 2088.55254686143 3116.3087098034 257 2.69 591.36615 w/o MS2:PG O-16:2_8:0 [M-H]- 0.75 True 7.18 591.3667 C30H57O9P EtherPG LTGZOZRZEOMOAZ-UHFFFAOYSA-N O=C(OC(COCCCCCCCCC=CCC=CCCC)COP(=O)(O)OCC(O)CO)CCCCCCC 530 True True False False False null null 77.4 99.9 null null null 82.31 YILU0372-neg-2 591.36615:4604 592.3695:1419 593.37286:233 152.99649:111 335.12009:84 391.22247:285 591.31537:116 591.36566:2404 0 0 0 0 36090 36415 33906 37367 37570 35874 36612 38627 37254 28329 28510 29662 0 36203.8053385417 33165.5289713542 0 1316.33883124007 4811.48626859366 258 6.864 592.52655 w/o MS2:Cer 13:0;2O/24:2;(2OH) [M-H]- ion correlated with 253 0.75 False 10.25 592.53101 C37H71NO4 Cer_ADS AXEZQPWVQYGOJM-UHFFFAOYSA-N O=C(NC(CO)C(O)CCCCCCCCCC)C(O)CCCCCCCCCCC=CCC=CCCCCCCC 530 True True False False False null null 90.6 99.9 null null null 102.16 YILU0373-neg-1 592.52655:7763 593.5299:2816 594.53326:491 0 346 0 0 54499 56265 55799 66885 65374 61175 52985 50616 47878 86535 68227 80476 86.5751266479492 59999.5319010417 64452.7473958333 173.150253295898 5282.44020029325 16470.1290980937 259 7.431 595.54028 Unknown [M-H]- 0.938 False null null null null null null 999 False False False False False null null null null null null null 84.68 YILU0370-neg-1 595.54028:7614 596.54363:3104 597.54699:615 19172 50732 45698 40299 69039 61394 58022 53328 48787 42453 37304 34656 32523 34260 29687 39801 38975.4072265625 55503.8587239583 34705.1217447917 13872.4709158623 9427.78082632131 3545.81751398762 260 4.924 600.46649 w/o MS2:SL 12:1;O/22:0 [M-H]- ion correlated with 728; ion correlated with 861; similar chromatogram in higher mz_807 0.75 False 8.95 600.46667 C34H67NO5S SL DSQDTDARFFENKH-UHFFFAOYSA-N O=C(N(CC(O)C=CCCCCCCC)CS(=O)(=O)O)CCCCCCCCCCCCCCCCCCCCC 530 True True False False False null null 100 99.9 null null null 156.54 YILU0370-neg-1 600.46649:8454 601.46984:4656 602.4732:1416 0 0 0 0 53143 49834 52626 52891 52509 50381 50933 47322 48468 46568 47185 46867 0 51897.52734375 47890.6126302083 0 1414.33106553358 1625.21042837396 261 4.503 602.44482 w/o MS2:SL 12:1;O/21:0;O [M-H]- ion correlated with 292 0.75 True 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 70.1 99.9 null null null 77.07 YILU0371-neg-1 602.44385:4189 603.4472:1725 604.45056:565 602.40283:170 602.44562:3050 0 0 0 0 36504 36092 36317 40441 37009 36548 37112 38959 34967 32412 31807 32410 0 37151.6705729167 34611.0940755208 0 1639.75731128572 2927.05658357166 262 5.187 602.48163 w/o MS2:SL 12:0;O/22:0 [M-H]- similar chromatogram in higher mz_503 0.062 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 99.7 99.9 null null null 61.38 YILU0370-neg-3 602.48163:3069 603.48498:1091 604.48834:356 0 0 0 0 17652 16638 18701 18006 18002 16690 17135 16778 16483 16825 16092 16398 0 17614.7646484375 16618.4842122396 0 811.576251092218 368.519014398708 263 0.901 603.24634 Unknown [M-H]- 0.562 True null null null null null null 999 False False False False False null null null null null null null 63.24 YILU0371-neg-1 603.24597:4582 604.24932:1943 605.25268:23196 61.98884:74 179.08269:58 379.12378:55 379.16501:230 440.18555:51 541.22687:55 559.20648:80 559.25702:601 585.23914:60 603.20813:220 603.24536:1287 603.32556:118 0 0 0 0 7391 7396 7015 27087 26163 25389 25359 25372 25292 40448 43933 39930 0 16740.3701171875 33389.076171875 0 10391.8130931834 8922.87286924682 264 4.394 604.46124 w/o MS2:SL 12:0;O/21:0;O [M-H]- ion correlated with 756 0.75 False 8.47 604.46161 C33H67NO6S SL ZUSITHWKKRSQAW-UHFFFAOYSA-N O=C(N(CC(O)CCCCCCCCC)CS(=O)(=O)O)C(O)CCCCCCCCCCCCCCCCCCC 530 True True False False False null null 99.9 99.9 null null null 81.09 YILU0371-neg-2 604.46124:4568 605.46459:2046 606.46795:629 0 0 0 0 37809 37178 37943 39256 39621 40623 36133 33926 34546 31787 33309 30652 0 38738.4401041667 33392.1243489583 0 1306.37079940246 1960.71275729889 265 0.895 605.26123 w/o MS2:SMGDG O-15:4_4:0 [M-H]- similar chromatogram in higher mz_729; found in higher mz's MsMs_290 0.75 True 4.75 605.26367 C28H46O12S EtherSMGDG XBGDROCPYCAPJK-UHFFFAOYSA-N O=C(OC(COCCC=CCC=CCC=CCC=CCC)COC1OC(CO)C(O)C(OS(=O)(=O)O)C1O)CCC 530 True True False False False null null 98 99.9 null null null 126.05 YILU0371-neg-2 605.26123:17476 606.26458:8328 607.26794:2189 175.045:51 370.17542:105 381.18094:217 425.17377:52 442.16064:51 442.1972:499 475.19748:68 561.2605:62 569.22595:63 605.16235:79 605.26172:5001 0 0 0 0 38712 38480 38699 93456 100100 96067 84484 85471 82551 74832 78186 75596 0 67585.5143229167 80186.7591145833 0 31789.7174704668 4598.50505506309 266 2.273 609.49207 w/o MS2:AAHFA 28:6/12:0;O [M-H]- 0.75 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 96.4 99.6 null null null 172.86 YILU0370-neg-1 609.49207:9650 610.49542:3866 611.49878:1161 277.16068:90 277.21783:6706 0 0 0 0 80237 77743 75626 76144 77331 76112 61412 62254 61884 69726 64498 64451 0 77199.1302083333 64037.6015625 0 1691.86228124596 3080.84536911498 267 2.734 611.50763 w/o MS2:FAHFA 18:2/22:3;O [M-H]- 0.75 True 10.36 611.50452 C40H68O4 FAHFA WXLPBNBXCAGXHY-UHFFFAOYSA-N O=C(O)CCCCCCCC(OC(=O)CCCCCCCC=CCC=CCCCCC)C=CCC=CCC=CCCCCC 530 True True False False False null null 76.4 99.7 null null null 194.66 YILU0370-neg-1 611.50763:10926 612.51098:4991 613.51434:1220 279.18893:186 279.2326:8096 611.50598:67 0 0 0 0 92431 91305 87436 89484 86547 89164 73574 73242 72620 82082 79895 79981 0 89394.5872395833 76899.1184895833 0 2230.62379977408 4196.94096630438 268 1.45 613.23132 Unknown [M-H]- ion correlated with 180; adduct linked to 323_[M+Hac-H]-; adduct linked to 836_[2M-H]-; similar chromatogram in higher mz_676; similar chromatogram in higher mz_696; found in higher mz's MsMs_676 0.75 True null null null null null null 999 False False False False False null null null null null null null 1971.44 YILU0370-neg-1 613.23132:107244 614.23467:60505 615.23803:29115 73.03003:60 481.18726:85 494.15863:93 522.13611:58 537.21423:951 541.21332:78 564.41058:55 581.2038:406 612.95923:50 613.2312:62929 613.70953:51 0 0 0 0 912598 928002 906919 933233 960775 937453 674994 717142 731765 773364 776355 777380 0 929829.979166667 741833.4375 0 19248.0986849053 41540.4993676728 269 3.314 613.5238 w/o MS2:FAHFA 18:1/22:3;O [M-H]- ion correlated with 142 0.75 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 75.7 99.7 null null null 111.9 YILU0370-neg-1 613.5238:6920 614.52715:3391 615.53051:800 281.24802:5965 613.52405:61 0 0 0 0 57420 55588 56077 51556 51702 51004 43300 42193 43329 45725 45937 46042 0 53891.0813802083 44420.87109375 0 2781.80229638791 1675.78349574077 270 4.101 615.53827 RIKEN N-VS1 ID-3271 from Mouse_Macrophage_WT_N_F1AA [M-H]- 0.75 True 7.02 615.53137 Unknown 430 True True True False False null null 87.3 100 88 83.4 100 94.92 YILU0370-neg-1 615.53839:10807 616.54174:5362 617.5451:1478 282.58414:58 283.26437:9511 284.2674:88 534.35834:50 530 3007 4009 3073 98357 95949 92985 75752 76430 74041 72165 67465 73317 62361 61995 63178 2654.73667907715 85585.5768229167 66746.7825520833 1488.52105435811 11305.6034877317 5051.69733314166 271 4.753 616.46069 w/o MS2:SL 12:1;O/22:0;O [M-H]- similar chromatogram in higher mz_439; similar chromatogram in higher mz_880 0.75 False 8.37 616.46161 C34H67NO6S SL NHZIMRDKTSMOEG-UHFFFAOYSA-N O=C(N(CC(O)C=CCCCCCCC)CS(=O)(=O)O)C(O)CCCCCCCCCCCCCCCCCCCC 530 True True False False False null null 99.6 99.9 null null null 134.37 YILU0372-neg-2 616.46069:7362 617.46404:3404 618.4674:1402 0 0 0 0 54471 52660 53770 53961 56016 56577 54685 55139 55458 53673 52507 50556 0 54575.7701822917 53669.501953125 0 1469.02707194067 1867.36154795796 272 1.293 617.42065 w/o MS2:RIKEN N-VS1 ID-3281 from Mouse_Feces_WT_N_Ctr [M-H]- 0.188 False 7.15 617.42108 Unknown 530 True True False False False null null 99.9 99.8 null null null 37.37 YILU0372-neg-1 617.42065:3831 618.424:2324 619.42736:664 0 0 0 0 10165 9777 12666 8780 8392 10617 28802 27723 26242 14932 12821 11872 0 10066.2612304688 20398.6481119792 0 1524.11822059902 7979.98935819831 273 4.625 618.4776 SL 34:0;2O|SL 17:0;O/17:0;O [M-H]- ion correlated with 648 0.75 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 37.9 37.9 100 392.78 YILU0370-neg-1 618.4776:25258 619.48095:11867 620.48431:2728 79.95815:115 107.05472:57 350.2352:219 392.24695:92 618.30444:108 618.47662:16690 618.61096:96 618.72229:60 618.78229:72 618.83545:53 0 0 0 0 152621 142531 141075 148679 146544 141696 137788 139162 138048 125252 132868 128504 0 145524.552083333 133603.950520833 0 4577.35517971634 5735.08404777988 274 1.224 621.35553 w/o MS2:PA 9:0_22:6 [M-H]- 0.562 False 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 99.8 99.8 null null null 114.17 YILU0371-neg-2 621.35553:7885 622.35888:4078 623.36224:1323 0 0 0 0 47435 49263 41512 49196 50534 46589 13405 14838 14994 31520 29307 33415 0 47421.3977864583 22913.1829427083 0 3220.16778770767 9418.65287342415 275 5.153 621.43689 w/o MS2:SG 28:1;O;Hex [M-H]- 0.75 False 8.04 621.43719 C34H58O6 SHex FWNZEKQVBDXWKA-UHFFFAOYSA-N OCC1OC(OC2CC3=CCC4C(CCC5(C)C(CCC45)C(C)CCC(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 62.26 YILU0371-neg-2 621.43689:6450 622.44024:2754 623.4436:752 0 0 0 0 44253 47097 45412 47286 48480 45994 44920 46010 49708 43264 36564 42351 0 46420.4498697917 43802.978515625 0 1506.3592869991 4376.78115639605 276 7.973 623.57294 Unknown [M-H2O-H]- similar chromatogram in higher mz_655; similar chromatogram in higher mz_451; similar chromatogram in higher mz_497; adduct linked to 366_[M+Hac-H]-; similar chromatogram in higher mz_399 0.938 False null null null null null null 999 False False False False False null null null null null null null 90.81 YILU0370-neg-1 623.57294:7301 624.57629:3068 625.57965:747 29331 66049 48572 59343 76413 68203 67346 56991 54635 48769 48403 47276 48549 42906 35536 45188 50823.9111328125 62059.51953125 44643.0625 16035.1299172482 10287.3770360067 4951.30438796969 277 7.363 625.45923 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 62.82 YILU0370-neg-2 625.45923:3213 626.46258:2084 627.46594:1841 0 0 0 0 20262 21486 20967 19554 19393 18505 16183 17160 15972 14949 17560 15941 0 20027.7900390625 16294.1287434896 0 1096.338699779 938.102166481639 278 8.062 627.52094 w/o MS2:FA 44:10 [M-H]- ion correlated with 830; ion correlated with 542 0.062 False 12.36 627.51471 C44H68O2 FA IUNFMFPPGVQADN-UHFFFAOYSA-N O=C(O)CCCCCCCCCCCCC=CCC=CCC=CCC=CCC=CCC=CCC=CCC=CCC=CCC=CCC 530 True True False False False null null 82.4 99.9 null null null 61.02 YILU0371-neg-2 627.52094:3051 628.52429:1620 629.52765:234 0 1291 998 1295 19956 20582 19660 20384 21189 17834 20111 17048 17775 17899 15621 17244 895.81575012207 19934.0348307292 17616.4635416667 613.207158136547 1156.17510768752 1467.80911656811 279 6.026 629.44147 Unknown [M+FA-H]- adduct linked to 291_[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 61.19 YILU0370-neg-1 629.44147:3094 630.44482:1862 631.44818:277 0 0 0 0 22881 22445 19102 16194 17143 15614 8852 8328 8479 14086 15447 14722 0 18896.5686848958 11652.2242838542 0 3151.56533067442 3426.58654803262 280 1.058 630.90283 Unknown [M-H2O-H]- adduct linked to 298_[M-H]- 0.438 False null null null null null null 999 False False False False False null null null null null null null 77.8 YILU0372-neg-3 630.90283:4888 631.90618:820 632.90954:2102 0 0 0 0 21542 22729 22296 17274 16151 16300 38111 39244 41248 27735 27259 25339 0 19381.8738606771 33156.044921875 0 3121.98821364104 7104.25690522205 281 6.453 631.45831 Unknown [M+FA-H]- adduct linked to 293_[M+Hac-H]- 0.562 False null null null null null null 999 False False False False False null null null null null null null 96.84 YILU0370-neg-1 631.45831:5982 632.46166:3664 633.46502:792 0 0 0 0 43380 41871 42765 35238 34021 32807 19081 18689 19415 27941 28688 28119 0 38346.8274739583 23655.572265625 0 4823.51843995489 5043.34329667752 282 7.855 632.54828 Unknown [M+FA-H]- ion correlated with 415; adduct linked to 294_[M+Hac-H]-; similar chromatogram in higher mz_732 0.375 False null null null null null null 999 False False False False False null null null null null null null 70.09 YILU0373-neg-2 632.54828:3999 633.55163:1826 634.55499:424 0 0 0 0 18242 18384 19769 21841 20773 21223 18408 17010 18994 25509 26580 25204 0 20038.5813802083 21950.6917317708 0 1498.50167656763 4251.48533219667 283 5.209 633.43677 w/o MS2:SG 29:2;O;Hex [M-H]- ion correlated with 780; ion correlated with 348 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 99.9 100 null null null 153.17 YILU0370-neg-3 633.43677:8332 634.44012:4231 635.44348:796 0 0 0 0 56134 53170 54039 54572 55462 52538 54192 55109 53347 49086 46520 48758 0 54319.1165364583 51168.7493489583 0 1358.96953687155 3497.82682879696 284 7.36 635.48865 w/o MS2:RIKEN N-VS1 ID-3504 from Mouse_AdrenalGlands_fads2KO_N_Ctr [M+FA-H]- adduct linked to 300_[M+Hac-H]- 0.75 True 10.76 635.4892 Unknown 530 True True False False False null null 99.9 99.9 null null null 220.22 YILU0370-neg-1 635.48865:11952 636.492:5691 637.49536:1341 44.9978:4095 0 0 0 0 89751 88345 89000 88408 90551 89746 78562 80000 79172 77884 75592 74361 0 89299.94921875 77595.2864583333 0 867.92272679443 2179.92571071023 285 2.589 635.50739 w/o MS2:AAHFA 28:6/14:1;O [M-H]- ion correlated with 485 0.75 True 11.21 635.50452 C42H68O4 FAHFA PVYMLLSMEGSHNL-UHFFFAOYSA-N O=C(OC(C(=O)O)CCCCCCC=CCCCC)CCCCCCCCC=CCC=CCC=CCC=CCC=CCC=CCC 530 True True False False False null null 97.5 99.6 null null null 120.3 YILU0371-neg-3 635.50739:6379 636.51074:3021 637.5141:951 303.23297:5091 0 0 0 0 48886 48101 48931 48773 51170 51124 47037 46307 47486 46230 49957 48038 0 49497.4466145833 47509.015625 0 1312.4107150241 1383.86089890506 286 0.869 637.25104 Unknown [M-H]- 0.562 True null null null null null null 999 False False False False False null null null null null null null 201.63 YILU0371-neg-2 637.25275:7884 638.2561:3673 639.25946:22323 195.07799:80 211.07236:121 213.08597:90 379.16418:132 381.17819:89 425.17075:56 442.19556:72 533.2384:164 575.24744:56 577.22571:94 593.22217:72 593.26074:552 619.23328:136 637.24994:3149 637.34399:64 637.51782:70 0 0 0 0 14304 13695 14259 41090 43411 40702 90988 89494 91643 73899 78964 72619 0 27910.0450846354 82934.40625 0 15173.3161093378 8803.61697906808 287 7.74 637.50378 w/o MS2:RIKEN N-VS1 ID-3525 from Mouse_BAT_WT_N_Ctr [M+FA-H]- adduct linked to 302_[M+Hac-H]- 0.312 False 11.7 637.49908 Unknown 530 True True False False False null null 89.5 99.9 null null null 55.12 YILU0370-neg-1 637.50378:3474 638.50713:2061 639.51049:587 0 0 0 0 26099 26693 25348 24054 25239 23510 21854 21451 21311 23369 20022 22239 0 25157.09765625 21707.9274088542 0 1201.70161862515 1107.19935839751 288 0.87 639.26654 Unknown [M-H]- 0.75 True null null null null null null 999 False False False False False null null null null null null null 194.31 YILU0370-neg-3 639.26703:5921 640.27038:2816 641.27374:1109 381.18387:106 424.18472:54 442.19904:96 579.24493:433 603.24518:429 621.25739:138 639.18048:69 639.26514:2573 639.32196:79 0 0 0 0 33071 32865 31909 78960 81234 78654 115637 116383 116066 81034 78086 73954 0 56115.4954427083 96859.9244791667 0 25761.9595825644 21119.6976218244 289 2.238 639.36755 w/o MS2:LPG 28:6 [M-H]- 0.75 True 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 99.8 99.9 null null null 89.5 YILU0372-neg-2 639.36755:5425 640.3709:2203 641.37426:849 173.10068:54 199.13147:86 277.21973:106 303.23245:108 335.12582:91 439.22534:113 639.31671:162 639.36554:2321 0 0 0 0 36402 37173 34838 40953 40580 39395 38660 41575 38843 30075 33145 33366 0 38223.357421875 35943.9449869792 0 2460.01329124613 4391.28516253701 290 0.89 641.23785 Unknown [M-H]- 0.562 True null null null null null null 999 False False False False False null null null null null null null 129.45 YILU0371-neg-1 641.23883:7610 642.24218:4633 643.24554:4765 379.16476:86 381.17911:188 424.18665:112 442.1962:246 559.2525:163 603.24524:776 605.26233:9394 605.61786:55 606.24524:86 635.24066:61 641.19403:70 641.27417:401 0 0 0 0 12926 13515 12906 41646 41157 44975 45765 44995 46473 43066 45590 45022 0 27854.0252278646 45151.7864583333 0 16200.0121289085 1157.98727413074 291 6.011 643.45825 Unknown [M+Hac-H]- adduct linked to 279_[M+FA-H]- 0.75 False null null null null null null 999 False False False False False null null null null null null null 391.97 YILU0370-neg-2 643.45825:27191 644.4616:16321 645.46496:3363 0 0 0 0 194656 195093 188429 156645 156989 151661 76558 79040 80022 129947 135822 132950 0 173912.096354167 105723.391927083 0 20829.3339909603 29856.8462825314 292 4.536 643.56873 w/o MS2:AAHFA 28:3/14:0;O [M-H]- 0.75 False 12.96 643.56708 C42H76O4 FAHFA OBRNRXUWBIOLQU-UHFFFAOYSA-N O=C(OC(C(=O)O)CCCCCCCCCCCC)CCCCCCCCCCCCC=CCC=CCC=CCCCCCCC 530 True True False False False null null 98.7 99.6 null null null 87.52 YILU0371-neg-3 643.56873:4933 644.57208:2311 645.57544:934 0 0 0 0 33823 34416 31752 32889 33821 34389 33104 33325 32879 32329 27004 31405 0 33514.9690755208 31674.390625 0 1026.2504605874 2388.87029174385 293 6.451 645.47437 w/o MS2:RIKEN N-VS1 ID-3635 from Mouse_AdrenalGlands_WT_N_Ctr [M+Hac-H]- adduct linked to 281_[M+FA-H]-; similar chromatogram in higher mz_701; similar chromatogram in higher mz_512 0.75 True 5.15 645.48102 Unknown 530 True True False False False null null 87.6 100 null null null 714.08 YILU0370-neg-3 645.47437:48828 646.47772:26274 647.48108:4677 59.01401:21091 59.06226:56 59.09529:52 0 0 0 0 342467 336456 345025 282749 279167 283595 155406 151656 156347 232080 221408 229600 0 311576.635416667 191082.809895833 0 32730.4146321737 40293.4596886529 294 7.85 646.56592 Unknown [M+Hac-H]- adduct linked to 282_[M+FA-H]-; similar chromatogram in higher mz_732 0.75 True null null null null null null 999 False False False False False null null null null null null null 852.17 YILU0370-neg-1 646.56512:38100 647.56847:22102 648.57183:4228 59.01409:18448 60.01504:67 646.02271:50 646.55902:83 0 0 0 0 255354 265068 253900 297996 288800 290544 255181 256038 267624 343743 312573 338285 0 275276.9609375 295574.09375 0 19443.7374552951 41010.7461843701 295 1.063 646.87677 Unknown [2M+Hac-H]- ion correlated with 235; adduct linked to 126_[M+Hac-H]- 0.188 False null null null null null null 999 False False False False False null null null null null null null 173.36 YILU0372-neg-3 646.87677:8769 647.88012:1363 648.88348:4141 0 0 0 0 12969 11894 10418 9764 9129 7848 73251 72359 71777 19007 17952 17413 0 10337.0744628906 45293.0930989583 0 1862.34687679606 29770.504910968 296 6.192 647.46509 w/o MS2:PA 24:0_8:0 [M-H]- similar chromatogram in higher mz_750 0.75 False 8.89 647.4657 C35H69O8P PA BJZHNAXHVTUMGG-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCC)COP(=O)(O)O)CCCCCCCCCCCCCCCCCCCCCCC 530 True True False False False null null 99.8 100 null null null 114.89 YILU0371-neg-1 647.46509:7488 648.46844:3340 649.4718:513 0 0 0 0 53624 56190 53803 56542 52777 50389 46187 43159 39989 42916 38933 39494 0 53887.32421875 41779.5384114583 0 2275.66058892336 2798.2863995419 297 6.893 647.48907 w/o MS2:RIKEN N-VS1 ID-3653 from Mouse_AdrenalGlands_WT_N_Ctr [M-H]- similar chromatogram in higher mz_670 0.75 True 7.66 647.48938 Unknown 530 True True False False False null null 100 100 null null null 270.91 YILU0370-neg-1 647.48907:20366 648.49242:10009 649.49578:2253 59.01402:10204 116.92894:51 647.48065:139 0 0 0 0 158446 157141 154515 131458 128355 124649 69497 71082 70018 103661 104786 103361 0 142427.342447917 87067.4830729167 0 15834.5913487126 18491.8069879607 298 1.063 648.87433 Unknown [M-H]- ion correlated with 236; ion correlated with 448; adduct linked to 280_[M-H2O-H]- 0.188 False null null null null null null 999 False False False False False null null null null null null null 72.74 YILU0372-neg-2 648.87433:3747 649.87768:678 650.88104:741 0 0 0 0 4963 5340 4894 3540 4569 3718 30858 31838 29513 7295 7911 7830 0 4503.87589518229 19207.3216959635 0 722.954911002195 12652.5138637455 299 1.412 649.20752 Unknown [M-H]- 0.562 True null null null null null null 999 False False False False False null null null null null null null 121.47 YILU0371-neg-1 649.20758:7780 650.21093:5615 651.21429:5705 317.21118:95 537.21454:51 613.11536:50 613.23041:4379 614.22882:102 649.20709:116 0 0 0 0 31991 27696 33093 51261 49075 52713 3009 3611 2953 32827 31444 31797 0 40971.5462239583 17607.0380045573 0 11210.3641863085 15800.114162412 300 7.36 649.50586 w/o MS2:RIKEN N-VS1 ID-3673 from Mouse_AdrenalGlands_WT_N_Ctr [M+Hac-H]- adduct linked to 284_[M+FA-H]-; similar chromatogram in higher mz_710 0.75 True 7.9 649.50348 Unknown 530 True True False False False null null 98.3 100 null null null 2204.37 YILU0370-neg-2 649.50586:120572 650.50921:70013 651.51257:15285 59.01413:58528 59.17025:66 59.21254:59 59.26439:94 59.27884:63 59.32606:51 649.47552:62 649.50104:234 0 65 7 7 873119 879462 867662 864254 859335 838736 785697 770946 756932 746266 700286 734237 20.0145149230957 863761.239583333 749060.802083333 30.4240130817203 14109.7208017656 29965.5341109639 301 1.406 651.20605 Unknown [M-H]- 0.188 False null null null null null null 999 False False False False False null null null null null null null 64.16 YILU0371-neg-3 651.20605:4186 652.2094:2385 653.21276:848 0 0 0 0 15793 15494 17209 27095 24396 27689 1656 2134 2088 16536 14879 16364 0 21279.3235677083 8942.65120442708 0 5740.6112398105 7673.49230766367 302 7.738 651.52136 Unknown [M+Hac-H]- ion correlated with 705; ion correlated with 355; adduct linked to 287_[M+FA-H]-; similar chromatogram in higher mz_890 0.75 True null null null null null null 999 False False False False False null null null null null null null 895.75 YILU0370-neg-1 651.52142:46365 652.52477:25489 653.52813:5066 59.01404:23462 59.10778:50 59.13434:51 651.51434:131 0 0 0 0 345307 347931 347405 337363 347927 338158 314303 314263 321966 330414 290565 316358 0 344015.338541667 314644.880208333 0 4946.85228755117 13306.5355539818 303 8.1 653.53503 Unknown [M-H]- 0.75 False null null null null null null 999 False False False False False null null null null null null null 179.79 YILU0370-neg-3 653.53503:10663 654.53838:5115 655.54174:1603 0 0 0 0 69388 68706 67339 66721 67303 66524 61571 56548 54975 54781 50169 52338 0 67663.3841145833 55063.6640625 0 1138.65947928948 3899.38089881261 304 8.135 654.60443 w/o MS2:Cer 21:0;3O/19:0;(2OH) [M-H]- adduct linked to 388_[M+Hac-H]- 0.75 True 12.31 654.60419 C40H81NO5 Cer_AP OUYDALHBFIPCRM-UHFFFAOYSA-N O=C(NC(CO)C(O)C(O)CCCCCCCCCCCCCCCCC)C(O)CCCCCCCCCCCCCCCCC 530 True True False False False null null 79.4 99.9 null null null 494.26 YILU0370-neg-3 654.60443:29010 655.60778:16654 656.61114:3192 59.0143:1814 267.23483:60 284.2598:51 355.3226:152 398.36145:138 595.36792:98 618.57819:59 654.50006:243 654.60474:16624 654.72607:113 654.94989:73 0 0 0 0 186850 185294 185148 193129 181217 176778 155008 155205 150746 159128 146837 146369 0 184735.942708333 152215.229166667 0 5497.5001283757 5094.74932492799 305 6.569 657.47363 Unknown [M+FA-H]- adduct linked to 321_[M+Hac-H]- 0.75 False null null null null null null 999 False False False False False null null null null null null null 89.65 YILU0370-neg-2 657.47363:7918 658.47698:4705 659.48034:946 0 0 0 0 57584 57192 56386 48760 51563 48619 35157 34326 34227 41198 39405 40201 0 53350.7526041667 37419.1002604167 0 4208.4571238132 3188.44294516415 306 1.55 659.23315 Unknown [M-H]- 0.312 False null null null null null null 999 False False False False False null null null null null null null 63.65 YILU0371-neg-3 659.23315:3575 660.2365:1700 661.23986:952 0 0 0 0 33926 31897 30708 37444 38577 39814 23320 22276 22579 33538 34167 32490 0 35394.4563802083 28061.7639973958 0 3747.34697502504 5880.06210442507 307 6.984 659.48901 Unknown [M+FA-H]- ion correlated with 614; adduct linked to 327_[M+Hac-H]- 0.75 False null null null null null null 999 False False False False False null null null null null null null 113.8 YILU0370-neg-1 659.48901:6989 660.49236:3909 661.49572:531 0 0 0 0 50916 50201 49562 43909 46925 42910 32964 33530 34896 36806 35424 37036 0 47403.7337239583 35109.537109375 0 3389.83932516782 1663.4898034006 308 2.72 661.44537 w/o MS2:PG O-8:0_21:2 [M-H]- 0.125 False 8.15 661.44501 C35H67O9P EtherPG GOXNOFSFVYGCAO-UHFFFAOYSA-N O=C(OC(COCCCCCCCC)COP(=O)(O)OCC(O)CO)CCCCCCCCCC=CCC=CCCCCCC 530 True True False False False null null 99.9 99.9 null null null 67.5 YILU0372-neg-2 661.44537:3428 662.44872:1313 663.45208:773 0 0 0 0 30290 29150 28827 31121 30904 31505 29423 31872 31434 28687 24282 29259 0 30299.4182942708 29159.5152994792 0 1093.98279317014 2706.35282143391 309 7.388 661.50336 Unknown [M+FA-H]- adduct linked to 330_[M+Hac-H]-; similar chromatogram in higher mz_611 0.75 False null null null null null null 999 False False False False False null null null null null null null 74.18 YILU0370-neg-2 661.50336:4323 662.50671:2063 663.51007:403 0 0 0 0 33323 34247 33119 31923 31811 31136 27142 26493 28023 28307 26080 26487 0 32593.0719401042 27088.6712239583 0 1160.02724695132 905.043196803805 310 9.152 661.5564 Unknown [M-H]- similar chromatogram in higher mz_467; similar chromatogram in higher mz_345 0.75 False null null null null null null 999 False False False False False null null null null null null null 115.1 YILU0371-neg-2 661.5564:6284 662.55975:3473 663.56311:947 0 0 0 0 45788 46168 43632 45696 47239 43986 45818 46684 42725 36685 38626 37853 0 45418.2936197917 41398.7858072917 0 1366.23718750563 4282.63867440668 311 3.842 663.40308 PA 34:6|PA 16:3_18:3 [M-H]- 0.75 True 7.78 663.40308 C37H61O8P PA ZYJFCKRAJYRTDS-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCCC=CCC=CCC=CCC)COP(=O)(O)O)CCCCCC=CCC=CCC=CCC 410 True True True False False null null 100 99.9 48.4 46.9 100 82.97 YILU0371-neg-2 663.40161:4788 664.40496:2335 665.40832:656 152.9966:60 249.18636:92 277.21594:65 385.17587:104 413.20685:66 663.31525:138 663.40143:2244 0 0 0 0 38160 37926 37923 36033 36093 34756 27736 27532 28790 26688 25982 27168 0 36815.2200520833 27316.0231119792 0 1388.90839951395 958.099818005213 312 4.876 665.4176 w/o MS2:NAGlySer 15:3;O(FA 19:5) [M-H]- similar chromatogram in higher mz_487; similar chromatogram in higher mz_650 0.75 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 99.9 100 null null null 244.06 YILU0372-neg-1 665.4176:14275 666.42095:7921 667.42431:1813 293.08948:80 311.10489:82 665.41736:10257 665.53314:56 665.61401:51 665.87299:54 0 0 0 0 91538 89742 93408 68306 66757 68260 90990 87778 85478 74311 68877 72624 0 79668.5364583333 80009.5651041667 0 13093.0056211867 9184.55737040312 313 4.309 665.41846 w/o MS2:PA 8:0_26:5 [M-H]- 0.75 False 8.18 665.41882 C37H63O8P PA XOZUBMORUVCWTE-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCCCCC=CCC=CCC=CCC=CCC=CCC)COP(=O)(O)O)CCCCCCC 530 True True False False False null null 99.9 99.9 null null null 91.04 YILU0370-neg-1 665.41846:5849 666.42181:2588 667.42517:803 0 0 0 0 43547 43940 42391 38128 39528 38366 30335 32096 30700 30450 29996 28479 0 40983.1640625 30342.7333984375 0 2623.58358761772 1167.0270683933 314 9.171 665.60828 Unknown [M-H]- similar chromatogram in higher mz_641 0.75 False null null null null null null 999 False False False False False null null null null null null null 140.31 YILU0371-neg-2 665.60828:8014 666.61163:4465 667.61499:1247 0 0 0 0 50610 49736 49676 50077 54743 53435 49043 47663 48130 42211 38388 43866 0 51379.3541666667 44883.4049479167 0 2164.78952770458 4145.71653479901 315 7.898 666.60413 w/o MS2:Cer 12:1;3O/29:0;(2OH) [M-H]- ion correlated with 703 0.75 True 12.2 666.60419 C41H81NO5 Cer_AP AQRHGDVITTZHAN-UHFFFAOYSA-N O=C(NC(CO)C(O)C(O)CCCC=CCCC)C(O)CCCCCCCCCCCCCCCCCCCCCCCCCCC 530 True True False False False null null 100 99.9 null null null 285.93 YILU0371-neg-1 666.60413:15650 667.60748:9494 668.61084:1940 367.32272:86 410.36078:55 666.4436:56 666.60449:8140 666.72974:51 0 0 0 0 102104 100377 101270 105132 102957 98692 101689 94877 91650 95981 87287 85795 0 101755.524739583 92879.7643229167 0 2212.87122892767 5902.4773043159 316 8.785 666.64032 w/o MS2:Cer 12:0;2O/30:0;(2OH) [M-H]- adduct linked to 410_[M+CH3COO]-; found in higher mz's MsMs_410; found in higher mz's MsMs_385 0.75 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 101.2 YILU0372-neg-2 666.64032:5485 667.64367:2885 668.64703:786 0 0 0 0 42858 42867 44142 42161 44434 43273 40955 42458 41634 36767 34423 35090 0 43289.3131510417 38554.4850260417 0 857.464192760582 3542.48443398289 317 8.362 668.62091 Cer 41:0;4O|Cer 18:0;3O/23:0;(2OH) [M-H]- adduct linked to 412_[M+Hac-H]-; similar chromatogram in higher mz_370; found in higher mz's MsMs_412; adduct linked to 389_[M+FA-H]-; found in higher mz's MsMs_389; similar chromatogram in higher mz_420 0.75 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 76.2 100 2038.08 YILU0373-neg-3 668.62054:94244 669.62389:55706 670.62725:12244 58.03112:64 59.01351:137 132.94585:58 255.23097:58 267.23203:116 323.32709:77 351.32773:63 368.35007:76 369.33655:504 412.37579:202 424.37695:228 650.59015:56 668.62054:52977 669.08661:76 1418 0 0 0 832290 839694 816108 826280 798752 774237 681383 675214 656549 692101 659005 690498 354.462371826172 814560.104166667 675791.90625 708.924743652344 24337.7766103524 15270.6416216579 318 5.308 669.45087 PA 34:3|PA 16:0_18:3 [M-H]- adduct linked to 839_[2M-H]-; similar chromatogram in higher mz_561; found in higher mz's MsMs_839 0.75 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 99.9 45.1 44.1 100 1094.42 YILU0372-neg-3 669.45093:165978 670.45428:81244 671.45764:18032 78.95944:420 96.96866:147 152.97818:73 152.99643:1032 255.23254:1954 277.21594:1515 391.22479:2445 392.207:50 392.2319:77 409.23608:689 413.1803:113 413.20999:1970 431.22037:381 669.13672:51 669.24438:143 669.45129:99718 1431 0 0 0 1341772 1315272 1329781 1338836 1333870 1327126 1282085 1302894 1289553 1199440 1154557 1163346 357.870666503906 1331109.39583333 1231979.1875 715.741333007813 9481.22460293786 67257.2117763566 319 7.748 670.59875 w/o MS2:Cer 12:0;2O/26:0;(2OH) [M-H]- ion correlated with 421; ion correlated with 473 0.75 False 11.7 670.59912 C38H77NO4 Cer_ADS KWNRHCHZIWLTOS-UHFFFAOYSA-N O=C(NC(CO)C(O)CCCCCCCCC)C(O)CCCCCCCCCCCCCCCCCCCCCCCC 530 True True False False False null null 99.9 99.9 null null null 106.63 YILU0370-neg-2 670.59875:6448 671.6021:3533 672.60546:728 0 0 0 0 49732 51226 49484 50113 49721 48073 36255 37313 33855 40334 32597 36720 0 49724.9635416667 36178.9440104167 0 1019.00152139647 2723.01875147271 320 5.754 671.46686 PA 34:2|PA 16:0_18:2 [M-H]- ion correlated with 401; similar chromatogram in higher mz_672 0.75 True 8.49 671.4657 C37H69O8P PA YQMUIZXKIKXZHD-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCCC=CCC=CCCCCC)COP(=O)(O)O)CCCCCCCCCCCCCCC 410 True True True False False null null 100 100 44.9 44 100 1888.77 YILU0371-neg-1 671.46686:182125 672.47021:85723 673.47357:16886 78.94468:121 78.95925:497 96.96984:117 152.96594:56 152.99632:1327 255.23235:2318 255.68825:66 279.23227:1384 391.2243:2805 392.24097:63 409.23584:987 415.22495:2034 433.23373:360 656.74799:54 671.46686:108671 24671 1376 653 265 1569948 1561580 1573095 1583630 1558980 1559593 1473228 1460567 1422384 1330988 1331652 1332170 6741.48169708252 1567804.41666667 1391831.5625 11962.0823830902 9664.75805008417 68068.2728845527 321 6.563 671.49005 Unknown [M+Hac-H]- adduct linked to 305_[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 449.23 YILU0370-neg-1 671.49017:44463 672.49352:26270 673.49688:5831 59.01397:22499 158.97392:108 159.97646:54 279.22498:55 311.28809:51 409.22696:60 671.46484:290 0 0 0 0 315716 322621 322284 277482 287935 280177 205514 200998 205046 230334 225174 229861 0 301035.859375 216154.484375 0 21421.3801396503 13686.6495936341 322 0.872 673.22748 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 98.36 YILU0372-neg-2 673.22748:5493 674.23083:2270 675.23419:17612 0 0 0 0 3274 3981 3714 12319 12371 12522 31881 32176 30646 23802 25321 24826 0 8030.14912923177 28108.7255859375 0 4797.27991152077 3854.98133257724 323 1.453 673.25122 Unknown [M+Hac-H]- ion correlated with 95; adduct linked to 268_[M-H]- 0.75 False null null null null null null 999 False False False False False null null null null null null null 100.76 YILU0370-neg-3 673.25122:6198 674.25457:3457 675.25793:1436 0 0 0 0 50249 49301 52296 50123 51807 53602 39121 40262 40719 36866 41680 42029 0 51229.5924479167 40112.8587239583 0 1612.61074292055 1899.67578099765 324 2.427 673.25177 Unknown [M+FA-H]- adduct linked to 344_[M+Hac-H]- 0.75 True null null null null null null 999 False False False False False null null null null null null null 291.01 YILU0370-neg-1 673.25159:14938 674.25494:9134 675.2583:3830 44.99789:282 541.20868:150 553.02612:53 627.24304:98 673.25256:9554 673.32275:73 673.38037:72 0 0 0 0 109847 108909 106893 84788 82160 76762 142069 149684 145951 113144 129633 111140 0 94893.0885416667 131936.772135417 0 15212.1623110619 16762.7944305378 325 6.251 673.48267 PA 34:1|PA 16:0_18:1 [M-H]- found in higher mz's MsMs_874 0.75 True 8.75 673.48138 C37H71O8P PA OPVZUEPSMJNLOM-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCCC=CCCCCCCCC)COP(=O)(O)O)CCCCCCCCCCCCCCC 410 True True True False False null null 100 100 46 45.5 100 748.94 YILU0372-neg-2 673.48187:36573 674.48522:15864 675.48858:3083 78.95883:128 125.06214:59 152.99603:266 255.23232:415 281.2486:239 391.20035:59 391.22409:705 409.23816:142 417.24109:418 435.24911:151 673.34595:96 673.48181:18182 673.65515:52 673.71515:67 673.84894:52 4479 0 257 0 346412 350158 339461 344409 333922 323894 322313 304578 285719 260582 268062 260118 1183.80952453613 339709.442708333 283562.0859375 2199.87838092588 9590.17038172698 25557.358874321 326 7.272 673.50464 Unknown [M-H]- ion correlated with 153; ion correlated with 713; ion correlated with 342 0.75 False null null null null null null 999 False False False False False null null null null null null null 128.94 YILU0371-neg-3 673.50464:7063 674.50799:4264 675.51135:914 0 0 0 0 47996 49969 48810 48962 49058 50455 47477 48301 46821 43677 41507 42226 0 49208.63671875 45001.560546875 0 876.867572452032 2897.96433038946 327 6.984 673.50586 Unknown [M+Hac-H]- adduct linked to 307_[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 839.65 YILU0370-neg-1 673.50586:49721 674.50921:30731 675.51257:7097 59.01408:21411 59.06257:50 59.1525:89 152.99632:53 391.22586:55 673.47064:66 0 0 0 0 361641 348507 353877 327142 321774 327189 258485 257601 257299 277975 267503 280340 0 340021.677083333 266533.627604167 0 16702.6297912637 10510.0392335548 328 0.869 675.24274 Unknown [M-H]- 0.562 False null null null null null null 999 False False False False False null null null null null null null 164.92 YILU0372-neg-3 675.24274:11186 676.24609:4859 677.24945:5814 0 0 0 0 10735 11227 11066 33070 33861 32806 63554 63148 65126 40823 41618 38647 0 22127.3702799479 52152.796875 0 12185.2641303445 12968.3987659095 329 7.673 675.51965 Unknown [M-H]- ion correlated with 835 0.75 True null null null null null null 999 False False False False False null null null null null null null 122.23 YILU0370-neg-1 675.52008:6311 676.52343:3302 677.52679:628 59.01399:3205 0 0 0 0 55312 55724 55000 53472 54136 53763 48687 49146 51476 54621 47668 53755 0 54567.9375 50892.2454427083 0 906.939399136488 2854.70470956795 330 7.387 675.52081 Unknown [M+Hac-H]- adduct linked to 309_[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 481.25 YILU0370-neg-1 675.52081:27891 676.52416:15950 677.52752:3043 59.01394:11249 675.52039:54 0 0 0 0 205397 206772 201906 200411 193391 191290 162980 159435 157308 155759 153513 158941 0 199861.408854167 157989.263020833 0 6296.34810692172 3267.24309392587 331 0.88 677.242 Unknown [M-H]- 0.062 False null null null null null null 999 False False False False False null null null null null null null 69.85 YILU0372-neg-3 677.242:3492 678.24535:1478 679.24871:387 0 0 0 0 3739 3988 3774 10901 10618 10452 18709 19278 20318 12067 12205 12088 0 7245.31852213542 15777.7037760417 0 3741.17582361592 4040.01353614247 332 1.239 677.37042 w/o MS2:PI O-8:0_16:3 [M-H]- 0.125 False 6.7 677.36713 C33H59O12P EtherPI XFWULYZJJAENSL-UHFFFAOYSA-N O=C(OC(COCCCCCCCC)COP(=O)(O)OC1C(O)C(O)C(O)C(O)C1O)CCCCCC=CCC=CCC=CCC 530 True True False False False null null 94.7 99.9 null null null 62.19 YILU0371-neg-1 677.37042:3188 678.37377:1718 679.37713:451 0 0 0 0 15846 15859 13832 22620 21512 18846 7047 8423 9060 22452 22789 22067 0 18085.568359375 15306.3806152344 0 3491.21464047853 7840.60814190041 333 7.778 677.53558 w/o MS2:RIKEN N-VS1 ID-4051 from Cell_HeLa_WT_N_Ctr [M-H]- 0.75 False 11.19 677.53943 Unknown 530 True True False False False null null 92.9 99.9 null null null 113.8 YILU0371-neg-2 677.53558:7642 678.53893:3600 679.54229:939 0 0 0 0 79626 77805 78910 72462 80380 75859 66728 71108 68892 68757 62883 65020 0 77506.9401041667 67231.1608072917 0 2931.4089817114 2972.27354451979 334 8.602 679.56683 w/o MS2:AAHFA 28:6/17:0;O [M-H]- ion correlated with 547; ion correlated with 526; similar chromatogram in higher mz_849 0.75 False 12.71 679.56708 C45H76O4 FAHFA IFFRJCLQHXSPER-UHFFFAOYSA-N O=C(OC(C(=O)O)CCCCCCCCCCCCCCC)CCCCCCCCC=CCC=CCC=CCC=CCC=CCC=CCC 530 True True False False False null null 100 99.9 null null null 142.9 YILU0372-neg-2 679.56683:7952 680.57018:4902 681.57354:1179 0 0 0 0 53701 51970 50593 57890 55224 55864 57015 59194 58435 46112 49436 47329 0 54207.021484375 52920.0032552083 0 2670.76729922435 5937.93603227255 335 8.124 680.62134 Cer 42:1;4O|Cer 18:0;3O/24:1;(2OH) [M-H]- adduct linked to 408_[M+FA-H]-; adduct linked to 434_[M+CH3COO]-; found in higher mz's MsMs_434; found in higher mz's MsMs_408; similar chromatogram in higher mz_557 0.75 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 2912.36 YILU0370-neg-1 680.62085:149571 681.6242:96972 682.62756:20299 59.01403:333 60.04629:50 225.21951:84 255.2341:124 267.20905:87 267.23203:138 284.25974:61 316.28485:109 335.33191:295 363.32578:99 380.3551:73 381.33713:603 388.349:64 422.36087:89 424.379:300 436.38062:161 662.60431:94 680.42926:203 680.62115:104191 277 0 0 0 1024298 1018981 1039664 1085470 1051325 1008388 1032867 1014872 952491 974788 884781 908636 69.3270416259766 1038021.14583333 961405.822916667 138.654083251953 27785.2686860734 58103.258888546 336 3.4 681.42236 w/o MS2:PG 16:0_12:0;1O [M-H]- ion correlated with 438; adduct linked to 438_[M+Hac-H]- 0.375 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 63.4 99.9 null null null 75.72 YILU0370-neg-2 681.422:4039 682.42535:1833 683.42871:401 189.0925:222 207.10233:130 235.08112:79 255.23347:395 491.31918:137 681.42041:1346 0 0 0 0 29813 30365 30294 26794 25504 25405 14652 13634 14757 21096 20718 20132 0 28029.2259114583 17498.1394856771 0 2389.91478291451 3486.62238978703 337 7.491 682.59875 w/o MS2:Cer 12:0;2O/27:1;(2OH) [M-H]- similar chromatogram in higher mz_669 0.75 False 11.66 682.59912 C39H77NO4 Cer_ADS PNBVHNMRPAVNDG-UHFFFAOYSA-N O=C(NC(CO)C(O)CCCCCCCCC)C(O)CCCCCCCCCCCCCC=CCCCCCCCCCC 530 True True False False False null null 99.9 99.9 null null null 76.18 YILU0371-neg-2 682.59875:4243 683.6021:2593 684.60546:530 0 0 0 0 23826 24151 23830 25200 24605 23804 22730 21637 19924 21655 20191 19140 0 24235.865234375 20879.7386067708 0 564.393644450663 1342.7364529676 338 8.574 682.63635 Cer 42:0;4O|Cer 18:0;3O/24:0;(2OH) [M-H]- adduct linked to 411_[M+FA-H]-; adduct linked to 441_[M+Hac-H]-; similar chromatogram in higher mz_450; similar chromatogram in higher mz_646; found in higher mz's MsMs_441; found in higher mz's MsMs_411; similar chromatogram in higher mz_615; similar chromatogram in higher mz_847 0.75 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 75 100 8403.82 YILU0373-neg-3 682.63647:397234 683.63982:228315 684.64318:57013 56.20843:61 60.04611:60 100.04027:70 225.22049:65 250.25381:71 253.20341:69 255.18652:52 255.23167:448 267.23132:96 284.25986:335 316.28864:89 337.34659:555 342.59979:53 365.34225:186 382.36691:203 383.30148:57 383.35205:1022 408.37134:51 426.39346:766 438.39346:774 646.61279:110 650.6084:63 652.61938:55 664.6261:129 678.5127:58 678.7121:51 678.79297:55 682.23755:91 682.33533:60 682.40411:107 682.63562:242690 14472 2528 2681 1386 3757756 3828619 3765906 3520848 3539165 3529753 3213882 3194232 3131221 3243090 3147889 3185555 5266.57760620117 3657007.79166667 3185978.20833333 6164.24015404969 141477.716930566 41371.0965969651 339 6.898 683.48785 Unknown [M+FA-H]- ion correlated with 529; adduct linked to 359_[M+Hac-H]- 0.312 False null null null null null null 999 False False False False False null null null null null null null 20.13 YILU0370-neg-1 683.48785:3974 684.4912:2340 685.49456:473 0 0 0 0 31253 29793 29523 26598 26631 25940 21497 21350 20698 22081 26151 22957 0 28289.5660807292 22455.8134765625 0 2176.93000865684 1963.68338515917 340 8.896 684.5733 w/o MS2:Cer 12:1;3O/26:0;(2OH) [M-H]- ion correlated with 480 0.75 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 87.7 100 null null null 110.21 YILU0372-neg-1 684.5733:6014 685.57665:5318 686.58001:1624 0 0 0 0 38796 36961 34494 39389 38315 39717 39856 37739 39710 34460 29583 31637 0 37945.3203125 35497.4807942708 0 1947.4070408796 4306.40109484824 341 7.981 684.61554 w/o MS2:Cer 20:0;2O/19:0;(3OH) [M-H]- adduct linked to 417_[M+FA-H]-; similar chromatogram in higher mz_456; similar chromatogram in higher mz_618 0.75 True 12.05 684.61481 C39H79NO4 Cer_BDS GCGBOPBFERBJJX-UHFFFAOYSA-N O=C(NC(CO)C(O)CCCCCCCCCCCCCCCCC)CC(O)CCCCCCCCCCCCCCCC 530 True True False False False null null 64.9 99.9 null null null 1289.59 YILU0370-neg-3 684.61554:75264 685.61889:46753 686.62225:9715 74.99438:76 75.00993:99 100.04075:101 116.03403:74 118.05111:210 130.04945:206 158.97614:58 160.97504:54 255.23048:78 267.20364:51 267.23138:130 326.26627:70 338.27002:83 344.27673:51 374.28922:1644 437.88834:55 506.32413:54 625.36383:81 638.3429:54 638.41724:145 684.41437:134 684.47473:192 684.61499:51367 685.06146:98 0 0 0 0 525776 540209 538378 529315 517939 507952 403260 393404 364567 436521 387936 403089 0 526594.9375 398129.609375 0 12285.9750369832 23569.0805068459 342 7.256 685.50452 Unknown [M+FA-H]- ion correlated with 153; ion correlated with 713; ion correlated with 326; adduct linked to 363_[M+Hac-H]- 0.75 False null null null null null null 999 False False False False False null null null null null null null 121.64 YILU0370-neg-2 685.50452:8156 686.50787:4085 687.51123:1563 0 0 0 0 57265 56501 60791 56513 55036 51033 49738 47702 50816 43714 44480 49982 0 56189.7734375 47738.3294270833 0 3176.32486335884 3010.59833707056 343 1.703 687.2309 Unknown [M+FA-H]- adduct linked to 365_[M+Hac-H]- 0.75 True null null null null null null 999 False False False False False null null null null null null null 141.83 YILU0370-neg-1 687.23065:7557 688.234:4920 689.23736:2384 540.16498:59 641.2262:83 687.08093:79 687.11121:62 687.23065:4059 0 0 0 0 51467 51741 52411 34515 34369 35772 97498 87016 86856 62217 65805 59790 0 43379.1041666667 76530.3899739583 0 9322.22498256601 15851.6375256003 344 2.426 687.26813 Unknown [M+Hac-H]- adduct linked to 324_[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 929.54 YILU0370-neg-1 687.26813:55758 688.27148:38028 689.27484:18492 59.01414:503 483.20596:62 526.18677:149 540.19806:148 541.16943:63 541.20776:505 542.22247:71 627.24463:359 687.06366:152 687.26813:38506 687.66187:88 0 0 0 0 412601 420981 421941 342714 337137 347836 586866 582284 588600 470976 525073 474155 0 380535.046875 537992.34375 0 41860.71045413 55937.2517051123 345 9.153 687.57202 w/o MS2:RIKEN N-VS1 ID-4218 from Blank [M-H]- 0.75 True 9.53 687.58081 Unknown 530 True True False False False null null 82.2 100 null null null 185.09 YILU0370-neg-1 687.5722:9907 688.57555:6188 689.57891:1383 138.0575:57 408.20969:57 408.26822:503 450.34891:217 687.44275:54 687.57227:5430 687.9162:57 0 0 0 0 74427 78702 75756 73793 81232 71240 76158 75433 79778 62104 62533 64821 0 75858.05078125 70137.927734375 0 3595.10837805614 7846.81293518854 346 9.478 689.58911 Unknown [M-H]- similar chromatogram in higher mz_391 0.75 True null null null null null null 999 False False False False False null null null null null null null 1173.49 YILU0370-neg-1 689.58862:62112 690.59197:46325 691.59533:10923 185.05841:149 365.28394:52 410.19937:67 410.28171:2762 411.28482:59 450.34885:792 689.37085:87 689.58789:46478 0 0 0 0 448650 444047 434257 435203 438769 431810 464791 460902 458741 385584 366906 366051 0 438789.395833333 417162.697916667 0 6434.14545248831 49083.0128276547 347 4.443 691.43457 PA 36:6|PA 18:3_18:3 [M-H]- ion correlated with 532; ion correlated with 753 0.75 True 8.21 691.43439 C39H65O8P PA SCTIGCPAHAZQNF-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCCC=CCC=CCC=CCC)COP(=O)(O)O)CCCCCCCC=CCC=CCC=CCC 410 True True True False False null null 100 99.9 61.8 62.4 100 290.97 YILU0373-neg-2 691.43427:12884 692.43762:6359 693.44098:1652 78.95985:61 152.99689:188 277.2149:328 413.21039:662 431.21552:176 691.33862:87 691.43445:7645 0 0 0 0 134115 135844 130317 138010 137520 136713 137969 135235 134864 114538 114912 113017 0 135419.923177083 125089.220052083 0 2853.57126048782 12041.7247835983 348 5.233 693.44958 w/o MS2:PA 8:0_28:5 [M-H]- ion correlated with 283; similar chromatogram in higher mz_397; similar chromatogram in higher mz_592 0.75 False 8.44 693.45007 C39H67O8P PA WPTJTLFQWNXOCS-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCCCCCCC=CCC=CCC=CCC=CCC=CCC)COP(=O)(O)O)CCCCCCC 530 True True False False False null null 99.9 99.9 null null null 130.76 YILU0371-neg-2 693.44958:7101 694.45293:3634 695.45629:885 0 0 0 0 51339 51929 53657 53966 52672 51148 51300 51950 51187 47802 45931 46860 0 52451.8515625 49171.76171875 0 1183.74340177572 2608.85113010948 349 4.892 693.4505 PA 36:5|PA 18:2_18:3 [M-H]- similar chromatogram in higher mz_728 0.75 True 8.39 693.45007 C39H67O8P PA AQTVREATJUABJU-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCCC=CCC=CCC=CCC)COP(=O)(O)O)CCCCCCCC=CCC=CCCCCC 410 True True True False False null null 100 99.9 45.6 45.2 100 400.9 YILU0373-neg-1 693.45032:17317 694.45367:7487 695.45703:1705 152.99602:218 277.19699:77 277.22021:80 279.2316:208 413.21042:169 415.22473:208 431.22018:91 433.23581:74 692.6554:56 693.31085:69 693.44904:9723 693.56415:51 693.87347:52 88 0 0 0 149902 152778 140473 152546 153287 151846 148173 149494 150188 126694 123856 128567 22.0162181854248 150138.651041667 137828.7109375 44.0324363708496 4880.11422795585 12655.6753550206 350 6.232 694.59814 w/o MS2:Cer 12:0;2O/28:2;(2OH) [M-H]- ion correlated with 750; ion correlated with 225; ion correlated with 241 0.75 False 11.66 694.59912 C40H77NO4 Cer_ADS FQPNNYSOKIZQKP-UHFFFAOYSA-N O=C(NC(CO)C(O)CCCCCCCCC)C(O)CCCCCCCCCCCCCCC=CCC=CCCCCCCC 530 True True False False False null null 99.5 99.9 null null null 77.68 YILU0372-neg-1 694.59814:4315 695.60149:2090 696.60485:571 0 0 0 0 31329 30978 33665 33342 32219 30726 34460 31912 33055 29956 27854 28242 0 32043.2184244792 30913.068359375 0 1243.02335853966 2667.37676189123 351 8.341 694.63605 Cer 43:1;4O|Cer 18:0;3O/25:1;(2OH) [M-H]- adduct linked to 433_[M+FA-H]-; adduct linked to 466_[M+CH3COO]-; similar chromatogram in higher mz_471; similar chromatogram in higher mz_843; found in higher mz's MsMs_466; found in higher mz's MsMs_433; similar chromatogram in higher mz_466; similar chromatogram in higher mz_416 0.75 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 75.1 100 2726.62 YILU0370-neg-1 694.63593:139101 695.63928:87542 696.64264:21064 44.99777:80 255.23161:133 267.2316:188 284.25629:76 349.34778:215 394.37137:69 395.35324:490 420.38205:53 438.39545:307 450.39453:363 662.61346:76 676.62274:82 694.22974:75 694.63702:93001 348 0 0 0 1012026 1003568 984206 1097249 1053675 1029473 1030448 987085 981185 983564 902915 944833 86.8910598754883 1030032.77083333 971671.625 173.782119750977 40502.1054385924 43294.26488697 352 5.35 695.46558 PA 36:4|PA 18:2_18:2 [M-H]- ion correlated with 796 0.75 True 8.2 695.4657 C39H69O8P PA OBXRDFNCKFWKNY-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCCC=CCC=CCCCCC)COP(=O)(O)O)CCCCCCCC=CCC=CCCCCC 410 True True True False False null null 100 100 58.7 58.7 100 184.73 YILU0370-neg-2 695.46552:12523 696.46887:5873 697.47223:1365 152.99454:137 277.21362:52 279.23203:307 281.24402:126 415.22284:269 417.24371:79 433.23563:54 435.25385:82 695.33923:81 695.46484:7882 695.5686:65 211 0 0 0 113062 113986 116882 114743 106540 113357 104622 102338 101599 92534 91468 96438 52.6914901733398 113094.981770833 98166.6627604167 105.38298034668 3489.83201560061 5485.35593547965 353 5.664 695.46692 PA 36:4|PA 16:0_20:4 [M-H]- adduct linked to 850_[2M-H]-; found in higher mz's MsMs_850 0.75 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 59.9 44.1 100 1529 YILU0372-neg-2 695.46655:93636 696.4699:56518 697.47326:11308 78.95845:202 152.99625:660 255.17842:55 255.23236:1756 303.23199:586 391.22461:2943 409.23541:1003 439.22565:439 457.23874:104 582.50024:57 673.20526:73 695.22229:57 695.25543:52 695.30969:150 695.4668:59174 695.96613:64 2811 0 0 0 770976 762950 774888 771292 771382 765931 736966 714491 714624 675466 661485 668822 702.704956054688 769569.65625 695309.041666667 1405.40991210938 4325.92681177795 30710.1848837866 354 6.104 696.61438 w/o MS2:Cer 12:0;2O/28:1;(2OH) [M-H]- ion correlated with 665; ion correlated with 700; ion correlated with 739; similar chromatogram in higher mz_813 0.688 False 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 99.9 99.8 null null null 67.33 YILU0370-neg-3 696.61438:3589 697.61773:2437 698.62109:478 0 0 0 0 28145 26836 28692 27402 28223 26845 27140 26861 26288 26224 24745 23337 0 27690.7552083333 25765.9401041667 0 777.300521979056 1450.13404102026 355 7.753 696.61572 w/o MS2:Cer 12:0;2O/28:1;(2OH) [M-H]- ion correlated with 705; ion correlated with 302; similar chromatogram in higher mz_421; similar chromatogram in higher mz_632; similar chromatogram in higher mz_840 0.75 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 937.81 YILU0371-neg-2 696.61572:52570 697.61907:31027 698.62243:6186 75.00891:120 130.05026:153 374.29089:1189 637.40985:61 696.46155:190 696.61505:33697 697.00122:85 0 0 0 0 384605 385255 383215 394341 398783 370526 342355 330437 316016 360926 284389 321644 0 386120.895833333 325961.21875 0 9824.43555268068 25911.6376032777 356 8.768 696.65222 Cer 43:0;4O|Cer 18:0;3O/25:0;(2OH) [M-H]- adduct linked to 440_[M+FA-H]-; adduct linked to 469_[M+CH3COO]-; adduct linked to 852_[2M-H]-; similar chromatogram in higher mz_422; similar chromatogram in higher mz_474; found in higher mz's MsMs_469; found in higher mz's MsMs_440 0.75 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 99.9 100 74.9 100 3715.48 YILU0371-neg-2 696.65173:198199 697.65508:119115 698.65844:25920 255.2345:188 267.2316:92 344.78412:64 351.36588:242 396.38498:88 397.36874:782 422.39279:70 440.37527:134 440.40826:365 452.4093:328 637.41272:135 664.63269:74 693.00049:53 696.65155:127784 5402 284 0 0 1648556 1642696 1627903 1504566 1524048 1482894 1282057 1287886 1253870 1321414 1258678 1273285 1421.47443389893 1571777.25 1279531.64583333 2656.79478172772 75855.4904098082 24342.341070193 357 5.43 697.48029 w/o MS2:NAGlySer 8:0;O(FA 28:6) [M-H]- ion correlated with 865 0.125 False 8.26 697.47968 C41H66N2O7 NAGlySer UKMSKRMYSWRUDR-UHFFFAOYSA-N O=C(OC(CCC)CCCC(=O)NCC(=O)NC(C(=O)O)CO)CCCCCCCCC=CCC=CCC=CCC=CCC=CCC=CCC 530 True True False False False null null 99.8 100 null null null 36.27 YILU0371-neg-1 697.48029:3492 698.48364:2082 699.487:523 0 0 0 0 25204 24993 26454 27010 26848 27136 21867 22134 24614 21880 24400 23271 0 26274.0354817708 23027.572265625 0 941.72471924603 1258.59218029755 358 5.829 697.48071 w/o MS2:PA 8:0_28:3 [M-H]- ion correlated with 858; similar chromatogram in higher mz_858 0.75 False 8.71 697.48138 C39H71O8P PA INEJCALZBCXHBO-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCCCCCCCC=CCC=CCC=CCCCCCCC)COP(=O)(O)O)CCCCCCC 530 True True False False False null null 99.8 100 null null null 104.23 YILU0370-neg-2 697.48071:13597 698.48406:6686 699.48742:9330 0 0 0 0 101052 109003 103963 101366 100640 103616 89940 92768 95127 84805 85620 81104 0 103273.27734375 88227.4166666667 0 3128.14390863084 5299.36518712067 359 6.878 697.50439 Unknown [M+Hac-H]- similar chromatogram in higher mz_555; adduct linked to 339_[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 239.83 YILU0370-neg-1 697.50439:27725 698.50774:14863 699.5111:2666 58.94804:66 59.0139:12460 637.41815:267 697.38171:50 697.50677:215 0 0 0 0 210220 211538 206209 187291 188883 187833 151874 150944 151699 167321 170695 170467 0 198662.510416667 160499.895833333 0 11819.7624832323 9929.64273742697 360 7.74 697.61737 w/o MS2:RIKEN N-VS1 ID-4352 from Mouse_Feces_WT_N_Ctr [M-H]- 0.062 False 7.56 697.61462 Unknown 530 True True False False False null null 96.3 100 null null null 196.93 YILU0372-neg-3 697.61737:18084 698.62072:5025 699.62408:912 0 0 0 0 170939 165103 164020 171345 170490 161134 143143 139551 133732 150505 120166 136050 0 167171.8671875 137191.377604167 0 4319.29521147853 10211.5562563023 361 8.21 698.63269 w/o MS2:Cer 20:0;2O/20:0;(3OH) [M-H]- adduct linked to 447_[M+FA-H]-; similar chromatogram in higher mz_477; similar chromatogram in higher mz_613; found in higher mz's MsMs_447; found in higher mz's MsMs_425 0.75 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 64.4 99.9 null null null 6328.48 YILU0370-neg-1 698.63269:364909 699.63604:234551 700.6394:57330 42.03458:66 43.01928:75 44.99665:94 59.01428:59 72.04427:85 74.0256:224 74.06134:57 75.00882:887 100.04112:247 102.05574:52 118.05168:459 130.05106:734 255.2312:178 267.23169:405 308.25903:122 316.28223:51 338.26648:160 342.26059:100 356.27814:131 374.18884:65 374.29068:7933 375.28839:108 399.34753:248 454.38428:76 532.94568:53 638.37848:53 638.41742:186 639.0946:57 694.93286:51 698.10663:69 698.3064:115 698.34369:74 698.63159:236555 5221 383 0 0 2739219 2724025 2707204 2686886 2605945 2568286 2040654 2010159 1936731 2210222 2100639 2150119 1401.07912445068 2671927.45833333 2074754.02083333 2553.11007677363 69000.8792038943 99083.1229830671 362 5.848 699.4964 w/o MS2:PA 8:0_28:2 [M-H2O-H]- ion correlated with 660; ion correlated with 721; ion correlated with 867; ion correlated with 903; adduct linked to 873_[2M+Hac-H]-; similar chromatogram in higher mz_661 0.75 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 99.8 100 null null null 33.74 YILU0371-neg-2 699.4964:6953 700.49975:4044 701.50311:546 0 0 0 0 38756 41643 41555 45865 44773 42862 40291 40620 38967 39337 38226 40122 0 42575.599609375 39593.9075520833 0 2539.05242044724 910.844770321346 363 7.259 699.52087 Unknown [M+Hac-H]- ion correlated with 560; adduct linked to 342_[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 229.73 YILU0370-neg-1 699.52087:40322 700.52422:23350 701.52758:4584 59.01405:16294 59.05462:55 158.9733:80 175.02281:53 532.92145:70 639.41119:250 699.51813:350 0 0 0 0 292571 292327 292613 290766 289231 289451 268116 270073 266846 253922 241469 259576 0 291159.713541667 260000.265625 0 1565.99639849031 10906.0393634477 364 8.136 700.60907 w/o MS2:Cer 12:0;3O/27:0;(2OH) [M-H]- 0.25 False 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 99.8 99.9 null null null 141.49 YILU0370-neg-2 700.60907:7861 701.61242:4846 702.61578:913 0 0 0 0 48046 44133 49240 50433 42131 45815 32721 31713 39286 37987 38585 29139 0 46633.142578125 34905.0973307292 0 3175.44346907121 4252.9973507407 365 1.707 701.24731 Unknown [M+Hac-H]- adduct linked to 343_[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 327.12 YILU0370-neg-1 701.24731:20036 702.25066:12887 703.25402:5855 482.16364:53 496.17389:54 540.15881:69 555.19012:350 559.27545:59 641.22235:178 701.0921:116 701.24664:14685 701.45209:83 701.69696:62 0 0 0 0 137824 133719 142891 82591 78350 81511 181524 178617 166922 137264 140723 129386 0 109480.927083333 155739.239583333 0 31564.5652133899 22692.0978089847 366 7.967 701.55066 w/o MS2:AAHFA 28:6/19:3;O [M+Hac-H]- ion correlated with 468; adduct linked to 276_[M-H2O-H]- 0.75 False 12.36 701.55139 C47H74O4 FAHFA BRLMEHDMNGQRMR-UHFFFAOYSA-N O=C(OC(C(=O)O)CCCCCCCC=CCC=CCC=CCC)CCCCCCCCC=CCC=CCC=CCC=CCC=CCC=CCC 530 True True False False False null null 99.7 99.9 null null null 59.7 YILU0372-neg-3 701.55066:6842 702.55401:4665 703.55737:2313 0 0 0 0 43528 44153 42622 43579 44086 42126 49342 47882 48376 37973 37864 38439 0 43348.8899739583 43312.5546875 0 812.262789754931 5741.53281630975 367 8.798 702.6156 Unknown [M-H]- ion correlated with 462; ion correlated with 476; similar chromatogram in higher mz_582 0.312 False null null null null null null 999 False False False False False null null null null null null null 63.88 YILU0372-neg-3 702.6156:3332 703.61895:1756 704.62231:1250 0 0 0 0 23844 22290 22942 21594 23206 22144 27027 26614 26883 24357 24330 21476 0 22670.1171875 25114.5647786458 0 814.716502898345 2166.35396429218 368 2.528 703.40833 w/o MS2:PG 18:3_12:0;1O [M-H]- ion correlated with 479; adduct linked to 479_[M+Hac-H]-; found in higher mz's MsMs_479; similar chromatogram in higher mz_491; similar chromatogram in higher mz_642 0.75 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 65 99.9 null null null 279.28 YILU0370-neg-1 703.40833:17434 704.41168:9378 705.41504:1919 189.0475:54 189.09106:901 207.10193:370 235.06682:53 235.0824:68 253.09039:92 277.21671:692 425.17752:51 443.19266:51 513.30219:305 559.01501:68 703.28766:71 703.40796:5955 0 0 0 0 138263 138173 134904 125852 130438 129383 84886 83103 80088 100619 100294 101564 0 132835.588541667 91758.8033854167 0 5072.59842524812 10058.4576284921 369 8.279 703.56787 w/o MS2:AAHFA 28:6/19:2;O [M-H]- adduct linked to 484_[M+Hac-H]- 0.75 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 99.8 99.9 null null null 335.8 YILU0372-neg-2 703.56787:19144 704.57122:14890 705.57458:4667 468.35864:402 469.36462:74 703.45007:86 703.56641:14645 703.71124:118 703.85168:51 704.01263:53 0 0 0 0 103187 105797 109021 110879 108731 107785 117293 120999 120703 89687 90332 97358 0 107566.56640625 106061.946614583 0 2713.18108236654 15198.2818003844 370 8.364 704.59589 w/o MS2:Cer 13:2;2O/34:6 [M-H]- ion correlated with 472; similar chromatogram in higher mz_586 0.688 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 96.1 99.9 null null null 153.76 YILU0370-neg-3 704.59589:8186 705.59924:4672 706.6026:3701 0 0 0 0 59162 62038 61692 57728 59674 56972 52867 52416 56505 58793 60422 58526 0 59544.3483072917 56588.40234375 0 2044.89637516249 3303.95924962848 371 2.937 705.4212 w/o MS2:DGGA 8:0_22:5 [M-H]- ion correlated with 486; adduct linked to 486_[M+Hac-H]-; found in higher mz's MsMs_486; adduct linked to 460_[M+FA-H]-; similar chromatogram in higher mz_492; similar chromatogram in higher mz_437 0.75 True 7.6 705.42188 C39H62O11 DGGA BQKSYQFPGLOTGT-UHFFFAOYSA-N O=C(O)C1OC(OCC(OC(=O)CCCCCCC)COC(=O)CCCCCC=CCC=CCC=CCC=CCC=CCC)C(O)C(O)C1O 530 True True False False False null null 99.9 99.9 null null null 151.18 YILU0370-neg-2 705.4212:9746 706.42455:3698 707.42791:1252 119.03485:68 189.09158:416 207.10172:291 253.09109:52 279.23343:242 443.18408:103 515.3161:94 705.42059:3439 0 0 0 0 85058 87043 81390 80826 78320 80131 45236 42975 45258 57170 59779 56435 0 82128.0690104167 51142.224609375 0 3270.24567781191 7418.10937669155 372 7.994 705.56659 w/o MS2:RIKEN N-VS1 ID-4474 from Cell_HEK293_WT_N_Ctr [M-H]- ion correlated with 497; ion correlated with 451 0.75 False 12.9 705.56653 Unknown 530 True True False False False null null 100 99.9 null null null 117.15 YILU0372-neg-1 705.56659:10299 706.56994:5445 707.5733:1102 0 0 0 0 69049 69194 67749 67853 72233 70417 77593 73618 76436 66338 67208 63751 0 69415.8723958333 70824.0384114583 0 1693.80083125168 5802.72221378754 373 8.613 705.58228 w/o MS2:AAHFA 28:6/19:1;O [M-H]- similar chromatogram in higher mz_654 0.75 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 99.9 99.9 null null null 204.98 YILU0372-neg-1 705.58228:18046 706.58563:11212 707.58899:2979 0 0 0 0 116827 113052 110572 128064 123307 116895 132200 129553 127412 102180 109846 103202 0 118119.451822917 117398.87109375 0 6505.63793934816 13836.8014673865 374 8.969 707.59918 w/o MS2:AAHFA 28:6/19:0;O [M-H]- similar chromatogram in higher mz_435 0.75 True 12.94 707.59839 C47H80O4 FAHFA UWGXPSQQDKSWBL-UHFFFAOYSA-N O=C(OC(C(=O)O)CCCCCCCCCCCCCCCCC)CCCCCCCCC=CCC=CCC=CCC=CCC=CCC=CCC 530 True True False False False null null 99.8 99.9 null null null 2187.4 YILU0372-neg-1 707.59918:132695 708.60253:90564 709.60589:23274 185.05991:101 468.35953:2348 469.36725:226 647.52692:61 707.1994:66 707.37067:83 707.4187:219 707.59875:94781 0 0 0 0 905537 892762 886444 931439 921054 922819 981384 956199 954431 788489 775264 788800 0 910009.177083333 874094.489583333 0 17989.5085605218 99072.8673795787 375 6.504 708.61499 w/o MS2:Cer 13:0;2O/28:2;(2OH) [M-H]- ion correlated with 691; ion correlated with 461; ion correlated with 668; ion correlated with 501; ion correlated with 776; similar chromatogram in higher mz_886 0.75 False 12.18 708.61481 C41H79NO4 Cer_ADS QDOGXINIZQYSDF-UHFFFAOYSA-N O=C(NC(CO)C(O)CCCCCCCCCC)C(O)CCCCCCCCCCCCCCC=CCC=CCCCCCCC 530 True True False False False null null 100 99.8 null null null 87.7 YILU0371-neg-2 708.61499:4657 709.61834:2804 710.6217:754 0 0 0 0 34345 31864 34512 35029 34993 33095 34568 34427 32743 32992 28785 29617 0 33973.1546223958 32188.529296875 0 1249.20367572109 2442.22667299725 376 8.533 708.65137 w/o MS2:Cer 12:1;3O/32:0;(2OH) [M-H]- ion correlated with 482; ion correlated with 577; adduct linked to 494_[M+Hac-H]- 0.75 True 13.17 708.65112 C44H87NO5 Cer_AP GUSQTENWLGZZEQ-UHFFFAOYSA-N O=C(NC(CO)C(O)C(O)CCCC=CCCC)C(O)CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC 530 True True False False False null null 100 99.9 null null null 373.17 YILU0372-neg-1 708.65137:20840 709.65472:11503 710.65808:2819 152.74046:55 464.40857:59 708.52563:151 708.65082:9180 708.78253:64 0 0 0 0 135113 137066 131982 151331 148605 139111 149203 135458 126005 130990 120880 118912 0 140534.682291667 130241.3203125 0 7723.78617243302 11147.004688132 377 7.15 709.5047 w/o MS2:CL 12:0_12:0_28:0_17:1 [M+FA-H]- adduct linked to 403_[M+Hac-H]- 0.75 False 13.84 709.51007 C78H150O17P2 CL BNHUEIFDMVJFSP-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCC)COP(=O)(O)OCC(O)COP(=O)(O)OCC(OC(=O)CCCCCCCCCCC)COC(=O)CCCCCCCCCCC)CCCCCCCC=CCCCCCCC 530 True True False False False null null 86.6 99.8 null null null 101.85 YILU0370-neg-1 709.5047:10461 710.50805:6581 711.51141:1767 0 0 0 0 71065 69776 67607 71398 66085 68686 63044 64913 63052 59063 59594 58798 0 69102.7239583333 61410.759765625 0 2053.64551679662 2579.33667416708 378 6.805 709.54999 PE 33:0|PE 15:0_18:1(d7) [M-H]- similar chromatogram in higher mz_893 0.75 True 10.95 709.55188 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 True null null 68.3 99.9 62.2 57.7 37.5 119.21 YILU0373-neg-1 709.54999:14716 710.55334:6719 711.5567:1379 241.2168:111 287.28491:74 288.28903:578 709.39844:61 709.4458:111 709.54877:7222 709.87384:57 0 0 0 0 92225 93486 93477 101912 103950 94851 86313 91426 89585 135071 121570 130063 0 96650.2447916667 109004.5546875 0 4977.5762194296 22279.2180838869 379 6.367 710.62952 w/o MS2:Cer 12:0;2O/29:1;(2OH) [M-H]- ion correlated with 828; ion correlated with 598; ion correlated with 533; ion correlated with 823 0.562 False 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 99.6 99.8 null null null 67.12 YILU0371-neg-3 710.62952:3620 711.63287:1848 712.63623:533 0 0 0 0 26958 29177 27533 26633 25654 28546 26164 27228 26252 25445 23374 23330 0 27416.8763020833 25298.8336588542 0 1289.85200991525 1611.18023909827 380 7.977 710.63165 w/o MS2:Cer 12:0;2O/29:1;(2OH) [M-H]- ion correlated with 719; adduct linked to 468_[M+FA-H]- 0.75 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 99.6 99.9 null null null 2490.92 YILU0371-neg-1 710.63165:139531 711.635:86042 712.63836:19584 70.03059:104 74.02557:53 75.00956:236 100.03942:62 118.05203:220 130.04942:206 225.98454:50 280.26562:68 316.28241:58 338.26709:97 342.26694:75 374.2894:2441 411.3425:104 440.09052:53 709.67255:51 710.21307:67 710.41675:91 710.6308:91690 0 0 0 0 969668 964281 975397 1021831 993372 954659 905157 867658 820690 871984 769745 807833 0 979867.979166667 840511.260416667 0 24272.20860163 49749.7035021224 381 8.955 710.66754 Cer 44:0;4O|Cer 18:0;3O/26:0;(2OH) [M-H]- adduct linked to 470_[M+FA-H]-; adduct linked to 495_[M+Hac-H]-; similar chromatogram in higher mz_498; similar chromatogram in higher mz_656; similar chromatogram in higher mz_857; found in higher mz's MsMs_495; found in higher mz's MsMs_470 0.75 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 75 100 1625.11 YILU0372-neg-1 710.66772:72948 711.67107:45151 712.67443:10157 61.14103:63 255.23083:61 309.17599:51 365.37714:60 411.38406:340 454.38416:100 454.42169:64 466.42184:91 650.60767:70 710.66699:42415 711.02954:176 711.05591:103 711.13141:94 2805 578 258 0 696308 703165 692158 648137 660037 640109 540088 534655 503264 538246 523857 530676 910.183074951172 673318.947916667 528464.427083333 1285.37197038656 27157.3774379719 13640.5169124965 382 8.935 711.573 w/o MS2:RIKEN N-VS1 ID-4570 from Mouse_AdrenalGlands_WT_N_Ctr [M-H]- ion correlated with 518; ion correlated with 626 0.562 False 13.29 711.56952 Unknown 530 True True False False False null null 94.1 99.9 null null null 45.64 YILU0372-neg-2 711.573:3310 712.57635:2128 713.57971:487 0 0 0 0 23392 23020 24233 23541 23584 22263 25188 24479 22730 19007 19348 20369 0 23338.65234375 21853.5550130208 0 657.660569075352 2659.35008358863 383 6.198 712.49182 w/o MS2:PE O-12:0_22:4;1O [M-H]- ion correlated with 579; similar chromatogram in higher mz_509 0.188 False 8.69 712.49231 C39H72NO8P EtherOxPE RCCGAUGGDAEHFK-UHFFFAOYSA-N O=C(OC(COCCCCCCCCCCCC)COP(=O)(O)OCCN)CCCCCCCC(O)C=CCC=CCC=CCC=CCC 530 True True False False False null null 99.9 100 null null null 63.03 YILU0372-neg-1 712.49182:3403 713.49517:1730 714.49853:468 0 0 0 0 24593 22584 22973 21684 22778 21028 25371 22411 22997 19742 18775 18811 0 22606.5979817708 21351.1393229167 0 1221.21214797798 2670.94877588152 384 7.906 712.60876 w/o MS2:Cer 12:1;3O/28:0;(2OH) [M-H]- ion correlated with 581; ion correlated with 551 0.25 False 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 99.6 99.9 null null null 90.08 YILU0372-neg-3 712.60876:4637 713.61211:3286 714.61547:668 0 0 0 0 25968 25821 25925 28254 23622 26905 21907 24306 27484 25991 24767 21818 0 26082.7014973958 24378.8463541667 0 1519.99758508762 2239.03522050446 385 8.785 712.64636 w/o MS2:Cer 12:0;2O/29:0;(2OH) [M+FA-H]- adduct linked to 410_[M+CH3COO]- 0.75 True 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 471.81 YILU0372-neg-2 712.64636:24674 713.64971:14181 714.65307:3361 44.99771:404 267.23297:199 366.37549:65 367.35928:85 410.39664:166 422.40186:147 630.61371:74 648.63135:83 666.47479:65 666.6402:10923 666.76855:51 666.81091:52 667.11328:56 667.64496:106 712.64093:83 573 0 0 0 185247 178925 182617 175477 174036 173738 184358 179614 179879 164131 163863 164930 143.268432617188 178340.109375 172795.630208333 286.536865234375 4780.0375074018 9456.0003092379 386 8.429 712.64716 w/o MS2:Cer 12:0;2O/29:0;(2OH) [M-H]- adduct linked to 472_[M+FA-H]-; similar chromatogram in higher mz_457; similar chromatogram in higher mz_500; similar chromatogram in higher mz_659 0.75 True 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 99.7 99.9 null null null 2390.34 YILU0370-neg-2 712.64716:140964 713.65051:90415 714.65387:24861 74.02556:115 75.00862:381 100.03951:76 116.03413:53 118.05024:393 130.05043:255 326.45923:53 356.27948:52 374.23804:68 374.29001:2388 375.29337:87 413.36179:99 666.5976:76 666.63031:77 694.62897:70 711.60681:57 712.37152:58 712.45667:253 712.64636:93209 1286 0 0 0 1049204 1041251 1030710 1001418 1006862 985506 757939 738246 737380 822342 768233 785069 321.587005615234 1019158.46875 768201.53125 643.174011230469 24990.6082680559 32150.8088978419 387 6.64 714.50732 w/o MS2:PE O-12:0_22:3;1O [M-H]- ion correlated with 623; similar chromatogram in higher mz_645; similar chromatogram in higher mz_623 0.75 False 9.07 714.50787 C39H74NO8P EtherOxPE GAEIEOOUPBKOFG-UHFFFAOYSA-N O=C(OC(COCCCCCCCCCCCC)COP(=O)(O)OCCN)CCCCCCCC(O)C=CCC=CCC=CCCCCC 530 True True False False False null null 99.8 100 null null null 107.57 YILU0372-neg-1 714.50732:6106 715.51067:2884 716.51403:745 0 0 0 0 37755 38206 37191 34835 37174 36521 40411 39032 40733 33174 31826 31397 0 36946.958984375 36095.3255208333 0 1182.49332051236 4418.0167416876 388 8.135 714.62482 w/o MS2:Cer 12:0;3O/28:0;(2OH) [M+Hac-H]- ion correlated with 578; ion correlated with 575; ion correlated with 364; adduct linked to 304_[M-H]- 0.75 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 99.9 99.9 null null null 121.31 YILU0370-neg-3 714.62482:7214 715.62817:3925 716.63153:0 0 0 0 0 44419 41666 44004 43379 44433 42782 36233 35250 35229 37444 35961 36959 0 43447.1458333333 36179.4869791667 0 1081.06228941169 897.168529488391 389 8.355 714.62665 w/o MS2:Cer 17:0;3O/23:0;(2OH) [M+FA-H]- ion correlated with 466; ion correlated with 504; ion correlated with 412; adduct linked to 317_[M-H]- 0.438 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 60 99.9 null null null 685.8 YILU0370-neg-2 714.62665:37757 715.63:21938 716.63336:4794 255.23587:62 323.33237:84 369.29083:71 369.33667:447 370.3338:68 412.38504:103 424.37704:131 636.58173:69 668.43762:64 668.62:27145 669.00256:63 669.07837:92 669.24622:58 669.61932:363 669.85767:55 669.94452:50 670.6781:54 241 0 0 0 210150 234095 201639 202024 212126 218155 203206 178268 182805 190443 194254 184155 60.1332168579102 213031.627604167 188855.283854167 120.26643371582 12083.1170700348 9037.71888836552 390 4.422 715.45428 w/o MS2:PG 6:0_26:3 [M-H]- ion correlated with 584; ion correlated with 186 0.5 False 8.14 715.45563 C38H69O10P PG PCTJVYQMMXCHKT-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCCCCCC=CCC=CCC=CCCCCCCC)COP(=O)(O)OCC(O)CO)CCCCC 530 True True False False False null null 99.1 99.9 null null null 63.86 YILU0372-neg-1 715.45428:3353 716.45763:1784 717.46099:529 0 0 0 0 20662 20165 20979 21975 21160 21589 21853 21376 19139 18259 19238 18420 0 21088.552734375 19714.16796875 0 646.142684664396 1528.87051996157 391 9.47 715.60358 Unknown [M-H]- 0.75 False null null null null null null 999 False False False False False null null null null null null null 164.19 YILU0372-neg-1 715.60358:9175 716.60693:6897 717.61029:1495 0 0 0 0 67285 64959 61014 67901 68250 60464 68967 67283 64589 54108 50475 52231 0 64978.8098958333 59608.7096354167 0 3483.12881181387 8238.86128922973 392 7.064 716.52271 w/o MS2:PE O-16:0_18:2;1O [M-H]- ion correlated with 402 0.188 False 9.48 716.52362 C39H76NO8P EtherOxPE AWIKVTJNUCNFOE-UHFFFAOYSA-N O=C(OC(COCCCCCCCCCCCCCCCC)COP(=O)(O)OCCN)CCCCCCC(O)C=CCC=CCCCCC 530 True True False False False null null 99.6 100 null null null 60.34 YILU0370-neg-2 716.52271:3027 717.52606:1433 718.52942:489 0 0 0 0 22312 22813 22394 21287 22817 21989 23652 23161 22148 18713 18000 18157 0 22268.6549479167 20638.591796875 0 575.338618286866 2628.75853012899 393 8.122 716.5976 w/o MS2:Cer 16:3;2O/32:6 [M-H2O-H]- adduct linked to 523_[M+Hac-H]- 0.75 False 12.24 716.59869 C48H79NO3 Cer_NS BFRZIBDBWLYWTL-UHFFFAOYSA-N O=C(NC(CO)C(O)C=CCCC=CCCC=CCCC)CCCCCCCCCCCCC=CCC=CCC=CCC=CCC=CCC=CCC 530 True True False False False null null 99.4 99.9 null null null 293.59 YILU0370-neg-3 716.5976:15627 717.60095:11594 718.60431:8382 0 0 0 0 97739 100153 95884 102385 99292 94327 106659 102863 97058 97403 99014 98104 0 98296.6419270833 100183.6796875 0 2934.07923840374 3802.85387785392 394 3.041 717.43536 w/o MS2:PG 9:0_22:3;1O [M-H]- 0.688 False 7.74 717.43481 C37H67O11P OxPG RRGDKGCQSPPDIX-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCCC(O)C=CCC=CCC=CCCCCC)COP(=O)(O)OCC(O)CO)CCCCCCCC 530 True True False False False null null 99.8 99.9 null null null 72.38 YILU0372-neg-1 717.43536:3948 718.43871:2011 719.44207:370 0 0 0 0 27385 28064 26498 29803 29046 27887 30917 29379 29709 24291 23583 23220 0 28113.9020182292 26849.7057291667 0 1176.13119581517 3507.34502410074 395 4.788 717.44989 PA 38:7|PA 18:3_20:4 [M-H]- ion correlated with 536 0.75 True 8.35 717.45007 C41H67O8P PA ASFQCMYWUFLWPN-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCC=CCC=CCC=CCC=CCC)COP(=O)(O)O)CCCCCCCC=CCC=CCC=CCC 410 True True True False False null null 100 99.9 46.8 46.3 100 429.64 YILU0371-neg-1 717.45099:22491 718.45434:10099 719.4577:2169 152.99635:172 277.21603:267 303.23233:254 303.25037:54 413.20886:442 431.21976:154 439.22821:381 457.23877:74 717.23663:58 717.32385:116 717.45038:13432 717.56976:103 717.87738:52 0 0 0 0 175544 178041 175771 188658 188725 187484 180317 187446 187098 163510 160860 159815 0 182370.385416667 173174.3828125 0 6556.85132513082 13206.5423891842 396 8.576 718.61255 w/o MS2:Cer 12:2;2O/36:6 [M-H2O-H]- adduct linked to 526_[M+Hac-H]- 0.75 False 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 98.3 99.9 null null null 508.32 YILU0370-neg-3 718.61255:26796 719.6159:10962 720.61926:9545 4688 265 827 329 244167 241294 246138 233539 237941 227241 227211 227157 230035 223394 229356 222142 1526.94242858887 238386.713541667 226549.375 2121.95322196792 7069.49498220934 3169.02222288218 397 5.23 719.46838 PA 38:6|PA 18:2_20:4 [M-H]- ion correlated with 634 0.75 True 8.45 719.4657 C41H69O8P PA DLGBYDWDFKWEBP-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCC=CCC=CCC=CCC=CCC)COP(=O)(O)O)CCCCCCCC=CCC=CCCCCC 410 True True True False False null null 100 99.9 55.1 43 100 535.81 YILU0370-neg-1 719.46826:27170 720.47161:13590 721.47497:3042 78.96009:128 152.99597:259 279.23053:69 303.18967:53 303.23242:188 415.22473:463 433.23776:153 439.22235:504 457.23138:173 719.46545:15644 719.56781:127 719.68433:56 719.76874:63 0 0 0 0 205042 206159 208897 213128 215375 207699 202177 204265 205604 185406 180118 185814 0 209383.1796875 193897.231770833 0 4055.39263503449 11317.0319476764 398 5.581 719.48657 CL 71:5|CL 16:0_16:0_19:1_20:4 [M-2H]2- ion correlated with 882; ion correlated with 496; similar chromatogram in higher mz_878 0.75 True 13.51 719.49451 C80H146O17P2 CL LSWBOPAAOHMCCF-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCCCCCCCCCC)COP(=O)(O)OCC(O)COP(=O)(O)OCC(OC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCC=CCC=CCC=CCC=CCC)CCCCCCCC=CCCCCCCC 410 True True True False False null null 83 99.7 63 24.2 100 94.69 YILU0372-neg-1 719.48657:5412 720.48992:2869 721.49328:1457 78.95794:94 255.23357:123 279.23148:63 303.23129:97 415.22601:133 433.24121:84 439.22412:256 463.25098:57 719.46991:8168 719.59241:60 0 0 0 0 33193 31977 30341 32443 30612 30828 36377 34646 35264 29852 31089 30606 0 31565.7981770833 32972.3362630208 0 1143.64297262664 2775.65289618521 399 7.983 720.59143 w/o MS2:Cer 13:2;2O/34:6;(2OH) [M-H]- ion correlated with 541 0.75 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 97.6 99.9 null null null 105.8 YILU0370-neg-3 720.59143:5999 721.59478:3656 722.59814:2443 0 0 0 0 45502 48708 49224 46760 43869 45933 41976 38714 38667 38595 37579 38652 0 46666.015625 39030.5970052083 0 2021.94255846577 1506.62726499338 400 5.689 721.48126 PA 38:5|PA 16:0_22:5 [M-H]- ion correlated with 810 0.312 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 410 True True True False False null null 100 100 64 44.3 100 207.99 YILU0372-neg-1 721.4812:10570 722.48455:6731 723.48791:2153 78.95962:1068 121.58238:68 134.98544:187 150.97874:109 152.99596:6277 171.0062:2488 209.02274:328 227.03281:637 245.03915:77 255.23338:138971 255.76018:86 255.78484:66 255.81284:51 255.85455:55 255.87386:70 256.19974:78 256.23712:1202 281.24799:777 303.22995:117 329.25012:58 391.17349:53 391.22491:1057 392.23349:70 409.23618:73 417.24228:52 465.25986:869 483.27158:1408 721.50006:1590 0 0 0 0 72764 74488 54005 64510 62558 65541 70899 69351 63801 59742 53960 48493 0 65644.3404947917 61040.8626302083 0 7418.66551570768 8753.47495617429 401 5.791 721.50348 PG 32:0|PG 16:0_16:0 [M-H]- ion correlated with 320; adduct linked to 863_[2M-H]-; similar chromatogram in higher mz_851; found in higher mz's MsMs_863; found in higher mz's MsMs_851 0.75 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 100 100 67.2 60.3 100 3483.16 YILU0373-neg-1 721.50336:168509 722.50671:92961 723.51007:22093 152.99561:208 171.00865:57 255.23222:4278 255.54567:62 281.24667:100 391.2236:152 417.24274:91 465.26114:162 483.27246:122 720.91113:66 721.50287:120054 0 0 0 0 1294609 1273536 1288113 1332012 1301276 1269602 1388679 1321491 1252869 1251046 1267095 1196431 0 1293191.27083333 1279601.83333333 0 22552.0892012271 66717.8516844755 402 7.122 721.57703 w/o MS2:NAGlySer 9:0;O(FA 28:1) [M-H]- ion correlated with 392 0.062 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 94.3 100 null null null 64.82 YILU0371-neg-2 721.57703:3241 722.58038:1579 723.58374:0 0 0 0 0 25728 25568 25231 27707 28504 27513 26655 25145 25910 25438 25177 25530 0 26708.3323567708 25642.3541666667 0 1365.0295518578 568.29891847929 403 7.147 723.52118 w/o MS2:RIKEN N-VS1 ID-4754 from Mouse_AdrenalGlands_fads2KO_N_Ctr [M+Hac-H]- ion correlated with 558; ion correlated with 587; adduct linked to 377_[M+FA-H]- 0.75 True 9.23 723.52002 Unknown 530 True True False False False null null 99.7 100 null null null 869.71 YILU0370-neg-2 723.52118:46442 724.52453:31608 725.52789:6570 59.01406:19106 59.18968:61 60.01688:72 663.04608:51 723.5191:527 0 0 0 0 312081 317166 300492 315710 315041 306448 303304 305404 305980 276530 267055 278805 0 311156.604166667 289512.921875 0 6460.56563804917 17328.9201470488 404 7.955 723.53491 w/o MS2:SM 30:0;3O [M-H]- 0.062 False 8.09 723.52942 C35H73N2O7P SM UVCRWJILNIBRSL-UHFFFAOYSA-N O=C(NC(COP(=O)([O-])OCC[N+](C)(C)C)C(O)C(O)CCCCCCCC)CCCCCCCCCCCCCCCCC 530 True True False False False null null 86 100 null null null 67.01 YILU0361-neg-1 723.53491:3350 724.53826:2129 725.54162:944 14087 37899 29119 30628 5369 4233 4656 4720 3704 3496 3224 3053 2924 2630 2156 2871 27933.0764160156 4362.8612874349 2809.60306803385 9995.28202793341 696.933713845831 376.044760714048 405 8.191 724.64618 w/o MS2:Cer 12:0;2O/30:1;(2OH) [M-H]- 0.75 True 12.9 724.64612 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 278.65 YILU0370-neg-1 724.64624:15381 725.64959:8670 726.65295:0 75.0094:161 374.29172:258 679.3866:54 724.49335:62 724.53302:151 724.646:9910 724.77802:50 724.81262:54 724.97021:62 0 0 0 0 99650 99727 91641 102077 101431 94386 92648 89335 80133 84354 82872 84113 0 98152.0638020833 85575.8919270833 0 4182.25485717533 4576.39854745219 406 8.346 724.64624 w/o MS2:Cer 12:0;2O/30:1;(2OH) [M-H]- ion correlated with 420 0.75 False 12.9 724.64612 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 244.05 YILU0372-neg-1 724.64624:16562 725.64959:10067 726.65295:2242 0 0 0 0 106951 102802 104768 119961 115536 114849 123877 122734 114125 108654 99519 99266 0 110811.26953125 111362.440104167 0 6898.00104876007 10839.7472247726 407 9.128 724.68207 w/o MS2:Cer 12:0;3O/33:0;(2OH) [M-H]- 0.312 False 13.34 724.68237 C45H91NO5 Cer_AP KWLNQRYKDGUKDI-UHFFFAOYSA-N O=C(NC(CO)C(O)C(O)CCCCCCCC)C(O)CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC 530 True True False False False null null 100 99.9 null null null 67.32 YILU0370-neg-2 724.68207:3608 725.68542:2530 726.68878:687 0 0 0 0 26201 27174 26229 24182 25590 24089 20403 20807 19598 20240 18382 19810 0 25577.52734375 19873.3216145833 0 1226.62164163498 847.299236374311 408 8.124 726.62732 w/o MS2:Cer 12:1;3O/29:0;(2OH) [M+FA-H]- adduct linked to 335_[M-H]-; adduct linked to 842_[2M-H]- 0.75 True 12.2 726.62531 C41H81NO5 Cer_AP AQRHGDVITTZHAN-UHFFFAOYSA-N O=C(NC(CO)C(O)C(O)CCCC=CCCC)C(O)CCCCCCCCCCCCCCCCCCCCCCCCCCC 530 True True False False False null null 99 99.9 null null null 1030.91 YILU0370-neg-3 726.62732:58682 727.63067:33614 728.63403:6810 380.34164:65 680.43481:115 680.61945:38195 681.12231:91 681.24799:88 681.45068:57 681.61963:733 681.72931:58 726.62262:1020 0 0 0 0 363558 358584 367259 381881 364291 353704 362528 351323 336126 345119 321219 324907 0 364879.484375 340203.895833333 0 9605.50633165178 15857.0577126222 409 8.643 726.66193 w/o MS2:Cer 12:0;2O/30:0;(2OH) [M-H]- 0.25 True 13.16 726.66168 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 363.92 YILU0371-neg-1 726.66193:21143 727.66528:13740 728.66864:0 75.00928:155 118.05135:61 130.04958:129 374.29227:478 427.3754:83 666.6026:71 680.61694:151 680.64453:62 726.47803:71 726.66138:12998 726.84827:62 726.8714:59 727.05103:77 727.13184:78 7 0 0 0 128981 121665 125156 126997 130823 114855 77270 78683 72566 96032 96593 100706 1.81642186641693 124746.384114583 86975.1028645833 3.63284373283386 5786.52255067144 12113.0445877583 410 8.787 726.66241 Cer 42:0;3O [M+CH3COO]- adduct linked to 316_[M-H]-; adduct linked to 385_[M+FA-H]- 0.75 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 59.5 51.8 100 1662.88 YILU0372-neg-1 726.66241:87414 727.66576:56026 728.66912:12495 59.01407:111 83.02431:72 225.22176:98 255.2309:129 267.23206:570 281.22693:64 297.24203:74 316.28262:61 366.37457:210 367.35736:660 392.38586:116 408.38217:117 410.36093:79 410.3989:807 422.39917:743 423.40302:53 630.61804:238 634.61102:154 648.62573:109 666.36377:81 666.42609:61 666.64111:54300 667.0578:83 667.10022:67 667.17493:56 667.23181:92 667.2829:50 667.32422:79 667.46594:89 667.49304:81 667.5625:70 667.64117:496 667.78192:50 668.00415:76 668.23816:76 668.37158:50 726.6673:71 2550 550 0 0 739797 747849 743842 737465 747339 742264 745845 742412 732919 673305 636229 656678 775.106430053711 743092.520833333 697897.927083333 1211.49185894054 4109.33279116472 48195.1494367953 411 8.573 728.64166 w/o MS2:Cer 17:0;3O/24:0;(2OH) [M+FA-H]- ion correlated with 441; adduct linked to 338_[M-H]- 0.75 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 69.8 99.9 null null null 2560.73 YILU0370-neg-1 728.64166:145230 729.64501:76061 730.64837:20401 255.23056:258 267.23114:62 337.34879:134 365.34354:82 382.36633:164 383.35349:1002 408.38516:88 426.39441:500 438.39581:364 664.62366:82 668.6189:63 682.46826:234 682.63593:99205 683.37579:73 683.63721:2038 683.72943:61 683.77509:77 683.81787:62 683.86279:111 683.90332:52 684.02588:60 684.341:57 684.42725:52 684.56531:90 684.85504:62 5806 1160 570 320 1196996 1180942 1167747 1087272 1077698 1080590 974939 976816 948249 993433 988952 988088 1963.82033538818 1131874 978412.947916667 2585.43078041517 55659.2300893347 16460.5137108199 412 8.362 728.64178 w/o MS2:Cer 18:0;3O/23:0;(2OH) [M+Hac-H]- ion correlated with 504; ion correlated with 389; adduct linked to 317_[M-H]- 0.75 True 12.73 728.64099 C41H83NO5 Cer_AP LXCDJSOYWPJYDC-UHFFFAOYSA-N O=C(NC(CO)C(O)C(O)CCCCCCCCCCCCCC)C(O)CCCCCCCCCCCCCCCCCCCCC 530 True True False False False null null 79 99.9 null null null 596.68 YILU0370-neg-1 728.64178:33862 729.64513:22918 730.64849:6554 369.33768:95 468.35864:82 650.60663:55 668.62:31029 669.03943:78 669.1134:67 669.25928:65 669.62146:598 669.77399:63 669.87604:78 669.98706:50 682.63495:457 683.63531:87 727.99432:58 728.58435:67 728.63147:149 0 0 0 0 229025 222158 226656 222954 215990 212609 192866 180181 175571 190850 189125 181815 0 221564.96875 185068.010416667 0 6247.26326958234 6860.97824141475 413 2.843 729.42078 w/o MS2:DGGA 15:3_17:4 [M-H]- ion correlated with 514; adduct linked to 514_[M+Hac-H]- 0.5 False 7.52 729.42188 C41H62O11 DGGA ADXAYOGVVFBMKP-UHFFFAOYSA-N O=C(O)C1OC(OCC(OC(=O)CCCCC=CCC=CCC=CCC)COC(=O)CCCC=CCC=CCC=CCC=CCC)C(O)C(O)C1O 530 True True False False False null null 99.4 99.9 null null null 73.46 YILU0370-neg-1 729.42078:3858 730.42413:2515 731.42749:571 0 0 0 0 31177 31091 31765 31887 30635 31325 21834 21924 22131 25873 27902 26413 0 31313.2174479167 24346.1259765625 0 460.706491476465 2695.62673671066 414 8.37 729.58435 w/o MS2:AAHFA 28:6/21:3;O [M-H]- ion correlated with 471; ion correlated with 416 0.375 False 12.69 729.5827 C49H78O4 FAHFA ATDUSIQLTPXDDR-UHFFFAOYSA-N O=C(OC(C(=O)O)CCCCCCC=CCC=CCC=CCCCCC)CCCCCCCCC=CCC=CCC=CCC=CCC=CCC=CCC 530 True True False False False null null 98.7 99.9 null null null 203.48 YILU0372-neg-3 729.58435:11264 730.5877:0 731.59106:0 0 0 0 0 75731 75349 73733 78068 76949 73290 79124 82432 80188 63013 63159 65709 0 75520.0026041667 72270.8893229167 0 1831.54999496981 9216.04551530985 415 7.883 729.59857 w/o MS2:SE 24:1;O4/22:0;1O [M-H]- ion correlated with 282; ion correlated with 812; ion correlated with 900 0.062 False 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 86.9 99.9 null null null 65.22 YILU0371-neg-1 729.59857:3261 730.60192:2135 731.60528:474 0 0 0 0 20363 20130 21749 21965 20840 19901 19116 19451 17651 18600 19650 18592 0 20824.5517578125 18843.3414713542 0 860.764954671765 726.491725978393 416 8.343 730.6098 w/o MS2:CerP 14:0;2O/28:0 [M-H]- ion correlated with 471; ion correlated with 406; ion correlated with 414 0.688 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 97.6 99.9 null null null 245.07 YILU0372-neg-1 730.6098:13324 731.61315:17838 732.61651:9413 0 0 0 0 94308 90353 88589 94937 94129 90091 101862 99346 97327 91798 92666 90150 0 92067.9739583333 95524.9322916667 0 2699.94105199443 4668.33706013689 417 7.98 730.61981 w/o MS2:Cer 15:3;2O/34:6 [M+FA-H]- ion correlated with 892; adduct linked to 341_[M-H]- 0.375 False 12.46 730.61438 C49H81NO3 Cer_NS VVBYABUQKQUKOH-UHFFFAOYSA-N O=C(NC(CO)C(O)C=CCCC=CCCC=CCC)CCCCCCCCCCCCCCC=CCC=CCC=CCC=CCC=CCC=CCC 530 True True False False False null null 86.3 99.9 null null null 73.6 YILU0370-neg-2 730.61981:3790 731.62316:2058 732.62652:450 0 0 0 0 27425 29493 27544 27709 28980 26615 21841 21698 19756 23002 21115 23594 0 27960.8056640625 21834.3649088542 0 1069.80441415143 1364.91455590766 418 8.23 731.5827 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 73.67 YILU0372-neg-3 731.5827:4294 732.58605:2600 733.58941:998 0 0 0 0 24176 24000 23640 24250 24633 25619 28526 27737 28977 21067 21229 23608 0 24386.3030598958 25190.5260416667 0 685.489204184183 3664.75635613455 419 8.66 731.59705 w/o MS2:AAHFA 28:6/21:2;O [M-H]- ion correlated with 588 0.625 False 12.86 731.59839 C49H80O4 FAHFA BDFAVHMZTZECKK-UHFFFAOYSA-N O=C(OC(C(=O)O)CCCCCCCCC=CCC=CCCCCCC)CCCCCCCCC=CCC=CCC=CCC=CCC=CCC=CCC 530 True True False False False null null 99.1 99.9 null null null 79.28 YILU0372-neg-2 731.59705:4346 732.6004:3081 733.60376:868 0 0 0 0 27560 27740 28105 26734 29591 28140 30198 31424 30448 23069 25063 24745 0 27978.5126953125 27491.0426432292 0 940.579265092064 3592.47065036333 420 8.36 731.61444 Unknown [M-H]- ion correlated with 406; ion correlated with 586 0.75 False null null null null null null 999 False False False False False null null null null null null null 304.78 YILU0371-neg-1 731.61444:16330 732.61779:9260 733.62115:2097 268 0 0 0 121745 123318 119512 125353 124139 119482 115455 113442 111480 111078 117600 112863 67.0348281860352 122258.19140625 113653.069010417 134.06965637207 2439.50603190101 2483.83988750349 421 7.751 732.59131 w/o MS2:PE O-8:0_28:0 [M-H]- ion correlated with 835; ion correlated with 319; ion correlated with 473 0.75 False 12.67 732.59131 C41H84NO7P EtherPE CQQJTEXNSDWAMD-UHFFFAOYSA-N O=C(OC(COCCCCCCCC)COP(=O)(O)OCCN)CCCCCCCCCCCCCCCCCCCCCCCCCCC 530 True True False False False null null 100 99.9 null null null 105.63 YILU0371-neg-1 732.59131:6019 733.59466:5157 734.59802:3357 0 0 0 0 48313 48635 47096 49877 47933 44702 43005 40129 37822 41156 36424 38196 0 47759.4733072917 39455.2037760417 0 1753.57078090887 2424.37433629039 422 8.769 732.62762 w/o MS2:RIKEN N-VS1 ID-4917 from Mouse_Feces_WT_ABX_Ctr [M-H]- ion correlated with 474 0.75 False 13.21 732.62939 Unknown 530 True True False False False null null 98.4 99.9 null null null 326.61 YILU0370-neg-2 732.62762:18434 733.63097:9157 734.63433:6979 1448 0 0 0 143715 147278 142593 133256 130915 128454 120682 122944 117882 125161 127123 122790 361.911193847656 137701.690104167 122763.69921875 723.822387695313 7786.06835686379 3253.94415876308 423 5.564 733.50183 w/o MS2:PG 6:0_27:1 [M-H]- ion correlated with 854 0.438 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 99.8 100 null null null 56.82 YILU0370-neg-3 733.50183:3424 734.50518:1810 735.50854:428 0 0 0 0 26003 26755 27125 27508 25839 27239 26624 26603 26948 23737 22913 23458 0 26744.8499348958 25047.2229817708 0 684.505671616476 1861.08595527367 424 8.965 733.6145 w/o MS2:AAHFA 28:6/21:1;O [M-H]- ion correlated with 495; ion correlated with 656 0.75 True 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 377.15 YILU0372-neg-1 733.6145:20401 734.61785:14527 735.62121:3208 468.3588:242 469.36905:76 673.55835:75 687.57965:78 733.61395:13336 733.79901:56 0 0 0 0 137719 137599 137926 140929 140501 140243 147328 142906 150341 120294 121175 118374 0 139152.6953125 133403.1796875 0 1557.94397150057 14955.632164494 425 8.216 734.60773 w/o MS2:Cer 30:3;3O/18:5 [M-H2O-H]- ion correlated with 447; ion correlated with 477; adduct linked to 552_[M+Hac-H]- 0.75 True 12.09 734.60931 C48H81NO4 Cer_NP SXWVPXNLUWXEDO-UHFFFAOYSA-N O=C(NC(CO)C(O)C(O)CCCC=CCCC=CCCC=CCCCCCCCCCCCCC)CC=CCC=CCC=CCC=CCC=CCC 530 True True False False False null null 77 99.9 null null null 416.96 YILU0370-neg-2 734.60773:22454 735.61108:10651 736.61444:9162 59.01297:78 318.16599:69 374.28738:198 698.54834:99 698.62903:1478 734.43036:117 734.49561:81 734.60663:10993 734.72797:65 734.96307:94 1172 0 0 0 174699 176136 175738 173771 168066 161742 151692 148247 146604 155985 157732 155642 293.096649169922 171691.901041667 152650.434895833 586.193298339844 5685.6960232856 4533.33039753389 426 1.623 735.38062 w/o MS2:DGDG O-15:3_3:0 [M-H]- ion correlated with 199 0.562 True 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 100 99.9 null null null 82.93 YILU0370-neg-1 735.38104:4552 736.38439:1598 737.38775:483 71.01251:87 397.10193:89 397.1344:579 415.146:57 591.97363:108 675.35754:2140 735.33289:58 735.46082:62 0 0 0 0 44965 43694 42834 41673 37403 39823 28482 28635 17499 35293 16728 36444 0 41731.9381510417 27180.26953125 0 2753.31661738666 8466.69361732225 427 9.3 735.62872 w/o MS2:AAHFA 28:6/21:0;O [M-H]- similar chromatogram in higher mz_513 0.75 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 99.5 99.9 null null null 79.42 YILU0372-neg-2 735.62872:4421 736.63207:2807 737.63543:790 0 0 0 0 26367 28407 26036 27445 28854 25801 28683 30106 29013 24297 21429 21886 0 27151.6305338542 25902.3623046875 0 1284.30262529854 3842.14147375124 428 6.549 738.50842 w/o MS2:PE O-14:0_22:5;1O [M-H]- 0.75 False 8.84 738.50787 C41H74NO8P EtherOxPE GXFYOJXIKBHMTJ-UHFFFAOYSA-N O=C(OC(COCCCCCCCCCCCCCC)COP(=O)(O)OCCN)CCCCC(O)C=CCC=CCC=CCC=CCC=CCC 530 True True False False False null null 99.8 100 null null null 164.04 YILU0372-neg-1 738.50842:9477 739.51177:5198 740.51513:925 0 0 0 0 64021 63085 62345 63125 60700 58925 71914 70703 71373 53655 53896 54107 0 62033.580078125 62607.873046875 0 1885.91266777573 9563.24810954279 429 8.552 738.66235 w/o MS2:Cer 12:0;2O/31:1;(2OH) [M-H]- 0.75 False 13.1 738.66168 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 99.8 99.9 null null null 240.12 YILU0372-neg-1 738.66235:14903 739.6657:8973 740.66906:1778 0 0 0 0 98372 97382 96712 110227 107808 101622 126157 117858 118723 99354 91979 92806 0 102020.463541667 107812.72265625 0 5727.26244129569 14858.715104088 430 2.531 739.38196 Unknown [M-H]- 0.75 False null null null null null null 999 False False False False False null null null null null null null 146.63 YILU0372-neg-3 739.38196:9137 740.38531:4292 741.38867:4151 0 0 0 0 61622 63230 62639 48420 53920 57149 66066 72379 72305 54209 66209 54704 0 57830.0657552083 64312.0208333333 0 5847.55765819286 8124.66030128467 431 5.561 739.5401 w/o MS2:PE-Cer 13:1;2O/26:3;O [M-H]- similar chromatogram in higher mz_432 0.688 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 99.9 99.9 null null null 79.01 YILU0373-neg-1 739.5401:4677 740.54345:141560 741.54681:57133 0 0 0 0 25890 25242 26350 28966 27266 27807 24445 24088 25078 33023 32267 32467 0 26920.20703125 28561.3831380208 0 1363.34607627814 4426.58743670439 432 5.56 740.54736 PG 33:0|PG 15:0_18:1(d7) [M-H]- ion correlated with 783; adduct linked to 868_[2M-H]- 0.75 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 True null null 72.3 100 66 43.4 57.1 1759.3 YILU0373-neg-1 740.54736:102825 741.55071:57133 742.55407:12351 78.95833:110 152.99648:98 171.0067:74 241.21591:523 288.24777:75 288.29169:1597 377.21344:77 451.24472:71 666.50739:67 740.35413:89 740.54669:64563 0 0 0 0 591639 591339 586901 635290 623419 634638 555176 552259 563212 739233 722420 730704 0 610537.59375 643833.96875 0 22994.8664244717 95466.6891915934 433 8.341 740.64203 w/o MS2:Cer 12:1;3O/30:0;(2OH) [M+FA-H]- adduct linked to 351_[M-H]- 0.75 True 12.58 740.64099 C42H83NO5 Cer_AP OWRQEZIVDYLKKM-UHFFFAOYSA-N O=C(NC(CO)C(O)C(O)CCCC=CCCC)C(O)CCCCCCCCCCCCCCCCCCCCCCCCCCCC 530 True True False False False null null 99.8 99.9 null null null 911 YILU0371-neg-1 740.64203:49755 741.64538:29523 742.64874:7210 395.34671:55 668.62164:59 680.62012:124 694.46826:64 694.63544:30910 694.90863:59 694.98163:68 695.0788:58 695.18799:76 695.23938:51 695.48804:87 695.63861:592 696.64325:78 700.97296:54 740.56641:59 740.60474:145 740.63873:1443 0 0 0 0 346417 340413 343915 371475 360528 337977 351081 336523 326374 330292 313081 320042 0 350120.90625 329565.630208333 0 13101.5066670247 13300.21572501 434 8.125 740.64246 Cer 42:1;4O|Cer 18:0;3O/24:1;(2OH) [M+CH3COO]- adduct linked to 335_[M-H]- 0.75 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 76.4 100 810.52 YILU0371-neg-2 740.64215:42576 741.6455:27029 742.64886:5061 57.97593:59 255.23061:78 267.23166:56 280.2627:59 335.30835:67 381.33621:362 424.37961:143 436.38062:171 648.59906:59 680.50232:271 680.61987:35049 681.00671:75 681.10199:103 681.15674:51 681.34277:53 681.56555:59 681.62085:301 722.5722:74 740.59198:50 0 0 0 0 258858 259576 276943 278778 283714 269036 277757 262012 259541 262626 246097 251642 0 271150.763020833 259945.950520833 0 10383.7333601066 10858.9862688401 435 8.976 740.67853 Cer 43:0;3O [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 420 True True True False False null null 94.9 99.9 71 49.1 100 778.11 YILU0370-neg-3 740.67841:41625 741.68176:26123 742.68512:5555 59.01318:160 255.21402:61 267.21393:54 267.23257:301 279.23257:102 380.38864:74 381.37225:240 422.40338:59 424.4155:249 436.41629:445 644.62762:108 648.62427:70 662.64062:104 680.47778:115 680.65668:28313 681.08099:50 681.15399:61 681.24048:61 681.41498:65 681.4646:53 681.52344:59 681.65924:508 1208 0 0 0 329734 333564 328142 320452 317043 318786 306303 308998 296003 280494 258932 266726 302.005096435547 324620.171875 286242.763020833 604.010192871094 6743.26578320544 20858.2637692222 436 2.554 741.38062 w/o MS2:PI 8:0_17:1;2O [M-H]- 0.062 False 6.43 741.38318 C34H63O15P OxPI WBTLHCVLJKOXFJ-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCC(O)C=CCCCCCCCO)COP(=O)(O)OC1C(O)C(O)C(O)C(O)C1O)CCCCCCC 530 True True False False False null null 96.8 99.9 null null null 65.58 YILU0372-neg-3 741.38062:3279 742.38397:1263 743.38733:304 0 0 0 0 22988 21427 25014 18897 20676 21008 23619 26158 27184 20409 23172 19390 0 21668.0677083333 23321.9046223958 0 2102.11711356457 3066.34716539499 437 2.943 741.39752 w/o MS2:PG 10:0_22:6;2O [M-H]- ion correlated with 83 0.375 False 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 99.6 99.9 null null null 71.57 YILU0370-neg-1 741.39752:4045 742.40087:2081 743.40423:1648 0 0 0 0 34549 34357 33557 26213 28162 28559 25947 24800 26357 24473 30416 25636 0 30899.3414713542 26271.4449869792 0 3667.92125347028 2149.11537402374 438 3.404 741.4425 Unknown [M+Hac-H]- ion correlated with 336; adduct linked to 336_[M-H]- 0.375 False null null null null null null 999 False False False False False null null null null null null null 69.97 YILU0370-neg-2 741.4425:3834 742.44585:2392 743.44921:556 0 0 0 0 26854 27639 25878 24126 23985 24002 13364 13476 12002 17573 17279 17829 0 25413.9879557292 15254.0032552083 0 1608.41368858008 2585.32539991901 439 4.768 741.47125 PG 34:4|PG 16:1_18:3 [M-H]- similar chromatogram in higher mz_609; similar chromatogram in higher mz_880 0.75 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 54.5 47.4 100 297.99 YILU0370-neg-2 741.47101:14658 742.47436:7430 743.47772:1689 152.99654:76 253.21466:158 277.21869:191 439.22821:54 505.25476:632 741.47052:9411 741.5722:66 0 0 0 0 105529 107124 106217 112083 110571 106993 111352 113529 112309 104948 104316 103317 0 108086.276041667 108294.958333333 0 2619.44257917638 4575.28545876817 440 8.765 742.65729 w/o MS2:Cer 17:0;3O/25:0;(2OH) [M+FA-H]- adduct linked to 356_[M-H]- 0.75 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 78.9 99.9 null null null 1233.69 YILU0370-neg-1 742.65729:71453 743.66064:46313 744.664:9271 61.98709:55 255.22495:84 279.23071:65 284.25504:59 351.36362:145 396.38391:159 397.36771:483 440.40991:129 452.40918:160 682.63513:809 695.5575:51 696.33405:77 696.48315:140 696.65112:49891 697.12421:56 697.17535:70 697.20367:63 697.31805:70 697.3833:75 697.51294:55 697.58087:70 697.65045:815 697.73737:133 698.03717:54 1664 0 0 0 564940 582224 542515 499472 493951 517827 430248 432477 430678 478698 440915 444907 416.113128662109 533488.072916667 442987.302083333 832.226257324219 35808.9195836881 18479.8004945567 441 8.574 742.65741 w/o MS2:Cer 12:0;3O/30:0;(2OH) [M+Hac-H]- ion correlated with 411; adduct linked to 338_[M-H]- 0.75 True 12.91 742.65662 C42H85NO5 Cer_AP OKSAIGIQXDCTFM-UHFFFAOYSA-N O=C(NC(CO)C(O)C(O)CCCCCCCC)C(O)CCCCCCCCCCCCCCCCCCCCCCCCCCCC 530 True True False False False null null 99.9 99.9 null null null 2408.18 YILU0370-neg-2 742.65741:133323 743.66076:86205 744.66412:21336 51.96213:73 225.22285:66 255.23105:103 267.23233:92 280.79419:61 316.28339:54 337.34518:211 356.31259:51 382.37241:116 383.35361:756 390.3743:62 426.33307:51 426.3923:518 438.39401:343 650.59875:54 664.61798:84 681.65851:53 681.96509:79 682.32568:121 682.36273:69 682.40277:95 682.44897:186 682.63605:118348 683.4364:95 683.53333:82 683.63672:1369 683.74353:52 683.84674:93 683.87122:120 684.10968:56 684.34149:55 696.65039:80 706.57532:52 724.59186:110 742.59839:89 3579 899 0 249 1022579 1024482 1000408 942881 973402 961149 890356 882272 877255 873394 883995 899933 1181.53985595703 987483.416666667 884534.197916667 1642.62188862277 33612.0138162046 9523.84856035894 442 5.127 743.47223 w/o MS2:PA 18:3_22:5 [M-H]- ion correlated with 617 0.438 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 71.1 99.9 null null null 369.12 YILU0371-neg-1 743.47223:20307 744.47558:10439 745.47894:2491 152.9951:462 171.00572:166 227.03038:152 255.2323:5332 277.2164:1576 412.29529:59 413.20837:377 465.26065:118 487.24701:170 505.25488:279 708.44031:60 738.96515:56 741.34381:69 743.1701:56 743.48718:207202 0 0 0 0 116259 134960 107174 123532 118713 105554 99984 120861 110304 106701 104550 98037 0 117698.747395833 106739.522135417 0 10893.5631398961 8225.3905208666 443 3.82 743.48682 w/o MS2:PG 6:0_28:3 [M-H]- ion correlated with 96 0.062 False 8.3 743.48688 C40H73O10P PG ZFJRSRFWCGVLFX-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCCCCCCCC=CCC=CCC=CCCCCCCC)COP(=O)(O)OCC(O)CO)CCCCC 530 True True False False False null null 100 99.9 null null null 62.36 YILU0371-neg-1 743.48682:3118 744.49017:1708 745.49353:460 0 0 0 0 32092 32713 31106 28645 28547 27985 30673 31430 29898 24258 23770 25814 0 30181.4576822917 27640.4762369792 0 2038.13239407241 3418.11712530592 444 4.98 743.48859 PG 34:3|PG 16:0_18:3 [M-H]- ion correlated with 538; similar chromatogram in higher mz_869; found in higher mz's MsMs_869 0.75 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 51.8 44.3 100 5000.49 YILU0372-neg-1 743.48822:274123 744.49157:174084 745.49493:48079 76.51097:59 103.49582:68 152.967:75 152.99457:385 255.23251:4438 256.23816:53 277.21588:2006 413.20837:465 465.26215:79 487.24454:176 490.90219:81 505.25854:140 635.16229:54 738.95703:53 739.22003:73 742.86969:69 743.09485:88 743.19012:139 743.48822:189400 52 0 0 0 1953520 1928207 1910942 1939854 1953917 1935783 1916675 1928634 1903886 1821701 1807432 1820732 12.9245624542236 1937037.10416667 1866510.27083333 25.8491249084473 16279.0096641766 55437.4968686254 445 8.124 743.61658 w/o MS2:SE 24:1;O4/23:0;1O [M-H]- 0.75 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 98.1 99.9 null null null 373.07 YILU0370-neg-3 743.61658:21398 744.61993:11071 745.62329:2067 61.98821:8958 87.00977:50 189.09003:53 369.61319:53 681.62073:60 682.62262:72 683.62933:430 697.38275:97 743.4621:51 743.61267:102 0 0 0 0 128900 131571 133223 134845 131085 125842 125741 123429 122366 120382 120252 122009 0 130910.973958333 122363.188802083 0 3194.73683250996 2052.05186845044 446 5.168 744.48834 w/o MS2:HexCer 16:2;3O/15:1;(2OH) [M-H]- 0.062 False 7.58 744.49042 C37H67NO10 HexCer_AP SWWASHLNNULGNZ-UHFFFAOYSA-N O=C(NC(COC1OC(CO)C(O)C(O)C1O)C(O)C(O)CCCC=CCCC=CCCC)C(O)CCCCCCC=CCCCCC 530 True True False False False null null 97.9 100 null null null 199.55 YILU0371-neg-3 744.48834:9978 745.49169:3442 746.49505:629 0 0 0 0 67315 65350 70795 67741 66764 62413 74302 63004 71720 65265 59718 58527 0 66729.7337239583 65422.3971354167 0 2772.32117155896 6394.79657637859 447 8.208 744.63684 w/o MS2:Cer 16:3;2O/34:6 [M+FA-H]- ion correlated with 477; ion correlated with 425; adduct linked to 361_[M-H]-; adduct linked to 853_[2M-H]- 0.75 True 12.66 744.63 C50H83NO3 Cer_NS PISNLTGWITXJKT-UHFFFAOYSA-N O=C(NC(CO)C(O)C=CCCC=CCCC=CCCC)CCCCCCCCCCCCCCC=CCC=CCC=CCC=CCC=CCC=CCC 530 True True False False False null null 90 99.9 null null null 402.52 YILU0370-neg-1 744.63684:23411 745.64019:13626 746.64355:2561 61.988:153 118.05282:83 297.23923:53 374.29001:199 698.5354:220 698.63129:17615 698.76733:116 698.92432:65 699.01624:52 699.06042:61 699.10474:61 699.33716:52 699.63159:339 699.99524:54 744.62567:141 0 0 0 0 169829 168837 159073 159773 165913 152437 125467 129068 118071 140078 130137 141192 0 162643.466145833 130668.83203125 0 6720.94291886156 8807.5741851016 448 1.063 744.85242 Unknown [M-H]- ion correlated with 236; ion correlated with 298 0.188 False null null null null null null 999 False False False False False null null null null null null null 82.55 YILU0372-neg-2 744.85242:4323 745.85577:706 746.85913:2522 0 0 0 0 4671 4895 4456 3659 3398 3425 32257 36062 33766 8690 8605 7596 0 4084.1934000651 21162.5782063802 0 667.443592602953 14150.5908725278 449 5.405 745.50342 PG 34:2|PG 16:0_18:2 [M-H]- similar chromatogram in higher mz_871; found in higher mz's MsMs_871 0.75 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 100 100 52.3 45.5 100 4129.3 YILU0372-neg-2 745.50427:203798 746.50762:110982 747.51098:24984 152.9968:110 171.00462:65 227.03596:60 255.23239:3354 279.19733:69 279.23285:1500 415.22604:147 465.259:76 483.26883:63 489.26419:163 507.27182:112 740.9129:53 745.50439:130804 0 0 0 0 1623328 1608470 1608825 1578936 1591909 1605919 1589334 1583723 1582214 1527960 1545362 1525199 0 1602897.97916667 1558965.4375 0 15411.6269388603 29537.3158165809 450 8.573 745.63275 Unknown [M-H]- ion correlated with 845 0.75 True null null null null null null 999 False False False False False null null null null null null null 670.6 YILU0370-neg-2 745.63306:35936 746.63641:18569 747.63977:3760 59.01393:85 61.98805:11113 156.97545:59 463.50266:55 682.6322:54 683.63416:90 684.63953:212 685.64044:720 709.64575:62 710.65723:62 745.6283:201 5324 617 295 232 322364 323165 319638 304760 302260 291820 279815 272571 268700 274494 294709 280505 1616.92061233521 310667.84375 278465.760416667 2477.01666384235 12917.1337285986 9118.35451857583 451 7.978 746.60602 w/o MS2:PE O-9:0_28:0 [M-H]- ion correlated with 497; ion correlated with 456 0.75 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 99.6 99.9 null null null 220.78 YILU0370-neg-3 746.60602:11861 747.60937:14939 748.61273:8822 0 0 0 0 80900 85830 88926 89897 87904 90190 86670 83434 81708 79761 76334 77944 0 87274.3606770833 80975.1432291667 0 3499.23371768685 3774.15937847134 452 8.955 746.64349 w/o MS2:RIKEN N-VS1 ID-5128 from Mouse_Feces_WT_N_Ctr [M-H]- ion correlated with 480; ion correlated with 498; similar chromatogram in higher mz_495 0.75 False 13.31 746.64398 Unknown 530 True True False False False null null 99.9 99.9 null null null 134.24 YILU0370-neg-2 746.64349:7713 747.64684:4246 748.6502:3474 563 0 0 0 56890 59901 54711 52731 50806 52957 47361 48844 44519 49683 50106 48020 140.646575927734 54665.9361979167 48088.97265625 281.293151855469 3283.67943257126 2022.79807943502 453 5.867 747.51941 PG 34:1|PG 16:0_18:1 [M-H]- 0.75 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 100 100 51.3 42.8 100 1549.28 YILU0372-neg-1 747.51984:77792 748.52319:45575 749.52655:9932 78.95785:60 152.99571:106 171.00507:67 255.23174:1196 281.24951:633 491.28409:50 492.28024:55 747.24475:60 747.33301:137 747.51874:59582 747.98535:147 0 0 0 0 549622 547554 551260 543285 543782 544042 533797 530138 518296 486635 495442 489487 0 546590.833333333 508965.864583333 0 3383.01716844286 21037.5517290164 454 9.302 747.60742 w/o MS2:PE-Cer 12:0;2O/27:0;O [M-H]- ion correlated with 785; ion correlated with 483 0.75 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 87.1 100 null null null 143.12 YILU0372-neg-2 747.60742:8355 748.61077:6117 749.61413:1830 375 256 0 135 94970 89588 91533 94823 94594 89520 97751 101633 96184 87334 82671 88213 191.434844970703 92504.5481770833 92297.5950520833 160.987571864935 2614.40605655009 7293.72468968773 455 9.967 747.6095 w/o MS2:PE-Cer 12:0;2O/27:0;O [M-H]- 0.75 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 88.7 100 null null null 2380.37 YILU0372-neg-1 747.6095:122020 748.61285:79266 749.61621:29186 136.05286:64 149.06024:77 158.9518:54 158.9747:147 176.08403:72 202.09857:2183 216.08591:54 679.55054:92 747.38574:70 747.42358:193 747.60858:67350 402 0 0 0 1143035 1135656 1143824 1167957 1158971 1145018 1183298 1147212 1136628 1120770 1072402 1054665 100.397483825684 1149076.75 1119162.58333333 200.794967651367 11958.6079392106 48071.214430368 456 7.977 747.61023 Unknown [M-H]- ion correlated with 497; ion correlated with 451; ion correlated with 618 0.25 False null null null null null null 999 False False False False False null null null null null null null 230.43 YILU0371-neg-2 747.61023:12261 748.61358:8936 749.61694:2550 0 244 0 0 99063 102758 100808 101170 102276 99010 92473 89665 85707 90776 91648 87146 60.9814682006836 100847.450520833 89569.15625 121.962936401367 1572.28479345976 2646.30192116912 457 8.432 748.62201 w/o MS2:Cer 13:2;2O/36:6;(2OH) [M-H]- ion correlated with 472; similar chromatogram in higher mz_659 0.75 False 12.54 748.62488 C49H83NO4 Cer_AS XDXNNTVDQJADEI-UHFFFAOYSA-N O=C(NC(CO)C(O)C=CCCC=CCCCC)C(O)CCCCCCCCCCCCCCCC=CCC=CCC=CCC=CCC=CCC=CCC 530 True True False False False null null 96 99.9 null null null 168.63 YILU0370-neg-3 748.62201:10057 749.62536:4873 750.62872:4097 0 0 0 0 68313 69174 70778 64980 64625 60808 51918 50683 51014 52858 55755 53699 0 66446.3658854167 52654.60546875 0 3659.0885391292 1890.37261643177 458 2.514 749.4115 Unknown [M-H]- similar chromatogram in higher mz_834 0.75 False null null null null null null 999 False False False False False null null null null null null null 112.78 YILU0370-neg-1 749.4115:7515 750.41485:3758 751.41821:1261 0 0 0 0 55922 54927 53996 49722 49614 52254 33407 32375 29615 38742 36805 38028 0 52739.2506510417 34828.541015625 0 2668.30593980978 3596.81562203412 459 9.398 749.62518 Unknown [M-H]- ion correlated with 544; adduct linked to 544_[M+Hac-H]-; found in higher mz's MsMs_544; adduct linked to 525_[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 1344.96 YILU0370-neg-1 749.62531:71915 750.62866:56472 751.63202:13951 100.93105:52 149.06062:699 158.97792:106 671.6441:50 734.59662:282 749.39288:69 749.47369:165 749.62433:44823 749.97742:70 750.07373:75 0 0 0 0 511556 509012 502831 508937 493053 505144 520866 514028 504406 435232 405773 419218 0 505089.083333333 466587.0625 0 6662.99201509571 52062.4496929979 460 2.943 751.42596 Unknown [M+FA-H]- adduct linked to 371_[M-H]- 0.312 False null null null null null null 999 False False False False False null null null null null null null 65.89 YILU0370-neg-1 751.42596:3463 752.42931:1580 753.43267:364 0 0 0 0 29632 29547 28882 26805 26041 24791 15631 16732 15074 19765 15125 16996 0 27616.2516276042 16553.7568359375 0 2025.76468928353 1767.47514034071 461 6.462 751.53607 w/o MS2:PE-Cer 12:1;2O/28:4;O [M-H]- ion correlated with 691; ion correlated with 668; ion correlated with 501; adduct linked to 549_[M+CH3COO]-; found in higher mz's MsMs_528; similar chromatogram in higher mz_668; similar chromatogram in higher mz_701 0.75 False 9.34 751.53961 C42H77N2O7P PE_Cer SVDWSBMXMOBRBX-UHFFFAOYSA-N O=C(NC(COP(=O)(O)OCCN)C(O)C=CCCCCCCC)CC(O)CCCCCCCCCCCCC=CCC=CCC=CCC=CCC 530 True True False False False null null 93.9 100 null null null 80.14 YILU0372-neg-3 751.53607:5761 752.53942:3418 753.54278:1049 0 0 0 0 45802 48187 46921 47412 44893 46373 49865 46751 50055 42984 41576 41386 0 46598.0533854167 45436.1959635417 0 1173.24299917429 3999.76274465168 462 8.749 752.67639 w/o MS2:Cer 12:0;2O/32:1;(2OH) [M-H]- ion correlated with 367 0.562 False 13.23 752.67743 C44H87NO4 Cer_ADS YVFBIEQRORAPIK-UHFFFAOYSA-N O=C(NC(CO)C(O)CCCCCCCCC)C(O)CCCCCCCCCCCCCCCCCCC=CCCCCCCCCCC 530 True True False False False null null 99.5 99.9 null null null 68.65 YILU0372-neg-2 752.67639:3906 753.67974:2279 754.6831:542 0 0 0 0 24620 23700 24524 28946 26557 23460 29713 29319 27029 24534 23021 23005 0 25301.0686848958 26103.4280598958 0 2092.14287610507 3026.22617911137 463 5.764 753.46747 w/o MS2:PG 7:0_28:5 [M-H]- 0.062 False 8.05 753.47119 C41H71O10P PG MNFFMWFBQMZPHB-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCCCCCCC=CCC=CCC=CCC=CCC=CCC)COP(=O)(O)OCC(O)CO)CCCCCC 530 True True False False False null null 93.3 100 null null null 61.66 YILU0370-neg-2 753.46747:3083 754.47082:1311 755.47418:216 840 0 0 0 27125 29182 25140 26359 24733 25021 23364 24883 24092 24936 23667 26019 210.061157226563 26259.923828125 24493.4407552083 420.122314453125 1698.1854077636 979.118444835522 464 5.522 753.54163 PS 33:0|PS 15:0_18:1(d7) [M-H]- 0.75 False 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 True null null null 100 null null null 84.57 YILU0373-neg-1 753.54163:8807 754.54498:3018 755.54834:616 0 0 0 0 56096 52687 57123 61988 59206 59356 59479 57420 56585 85957 81236 81488 0 57742.625 70360.98046875 0 3206.86202374965 13863.2459142746 465 6.878 753.54724 w/o MS2:PA 12:0_28:3 [M-H]- adduct linked to 555_[M+CH3COO]-; found in higher mz's MsMs_531 0.188 False 11.7 753.54401 C43H79O8P PA MVNQEOIZVQLTOB-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCCCCCCCC=CCC=CCC=CCCCCCCC)COP(=O)(O)O)CCCCCCCCCCC 530 True True False False False null null 94.9 99.9 null null null 61.32 YILU0372-neg-3 753.54724:3148 754.55059:1896 755.55395:579 0 0 0 0 24229 22741 24427 22521 24997 23914 23072 23369 25437 22972 21992 21779 0 23804.6253255208 23103.4983723958 0 977.943475630075 1305.5928511383 466 8.341 754.6571 Cer 43:1;4O|Cer 18:0;3O/25:1;(2OH) [M+CH3COO]- ion correlated with 389; adduct linked to 351_[M-H]- 0.75 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 74.8 100 733.61 YILU0371-neg-3 754.65723:37176 755.66058:23145 756.66394:5672 84.01035:54 158.97789:54 235.01839:62 255.20325:58 267.2323:114 279.2316:111 284.26004:76 349.34747:136 395.35382:172 438.39462:120 450.39285:80 658.61774:95 694.49103:145 694.63586:31322 694.93243:50 694.97821:61 695.10718:62 695.18597:72 695.23975:52 695.57043:71 695.63776:662 695.70294:90 695.74396:74 0 0 0 0 259237 254690 255954 275372 282154 263454 273191 264040 253902 259686 244246 250561 0 265143.505208333 257604.520833333 0 11184.1001368008 10300.0269597724 467 9.152 754.69263 Cer 44:0;3O [M+CH3COO]- 0.75 True 13.39 754.69299 C44H89NO4 Cer_NP GKRXVCWVXYHWOD-UHFFFAOYSA-N O=C(NC(CO)C(O)C(O)CCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCCCCCCCCC 420 True True True False False null null 94.6 99.9 63.6 50.9 100 389.74 YILU0371-neg-1 754.69263:21139 755.69598:14693 756.69934:3314 59.01448:63 255.23045:94 267.23251:65 395.39011:136 420.42105:58 436.41605:97 438.39551:74 438.431:127 450.42969:223 658.64868:86 676.65851:84 694.58502:345 694.67188:14561 694.7533:126 694.84308:67 694.92059:59 695.02026:75 695.67096:212 573 0 0 0 145553 149865 145262 145505 142077 138454 134332 132601 129216 125367 113711 118011 143.364761352539 144452.817708333 125539.84375 286.729522705078 3844.47839829383 8213.53539328457 468 7.977 756.63574 w/o MS2:HexCer 16:0;2O/22:0 [M+FA-H]- ion correlated with 366; adduct linked to 380_[M-H]- 0.75 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 100 99.9 null null null 132.23 YILU0371-neg-1 756.63574:7602 757.63909:4545 758.64245:1004 0 0 0 0 55238 55460 55240 58018 54655 52405 50279 48701 46463 52001 46408 46509 0 55169.134765625 48393.3118489583 0 1795.20955913697 2361.48243381693 469 8.768 756.6723 Cer 43:0;4O|Cer 18:0;3O/25:0;(2OH) [M+CH3COO]- ion correlated with 440; adduct linked to 356_[M-H]- 0.75 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 98.7 75.5 100 1030.89 YILU0371-neg-1 756.6734:54087 757.67675:36664 758.68011:7768 57.97325:64 89.01461:56 89.02435:94 255.23344:81 316.28543:59 351.36496:98 396.38248:64 397.36664:409 434.39658:53 440.41257:75 452.41129:171 696.4693:155 696.50415:184 696.65112:43891 697.0188:55 697.35358:58 697.38989:67 697.41907:60 697.58801:51 697.6532:593 697.74597:80 697.81989:55 698.0304:51 698.18512:52 710.66663:131 738.60474:95 756.61414:92 516 0 0 0 426940 422835 437258 396452 403984 399339 341332 339705 329800 343372 344209 342408 128.884033203125 414467.96875 340137.6875 257.76806640625 16782.758665436 5304.15450256772 470 8.95 756.67322 w/o MS2:Cer 17:0;3O/26:0;(2OH) [M+FA-H]- ion correlated with 495; adduct linked to 381_[M-H]- 0.75 True 13.22 756.6723 C43H87NO5 Cer_AP UGCNFULDRKJANQ-UHFFFAOYSA-N O=C(NC(CO)C(O)C(O)CCCCCCCCCCCCC)C(O)CCCCCCCCCCCCCCCCCCCCCCCC 530 True True False False False null null 79.2 99.9 null null null 422.9 YILU0370-neg-2 756.67322:24535 757.67657:14151 758.67993:3288 207.04004:54 284.2594:58 365.37857:60 411.38495:169 454.42429:119 466.42325:69 696.65021:530 697.37878:134 710.47101:58 710.54517:162 710.66595:15324 710.80603:74 710.88434:80 711.05591:89 711.14569:66 711.21716:71 711.66846:276 712.37476:63 609 0 0 0 185232 191856 181867 172436 166107 167901 141033 135457 133254 155843 138566 140837 152.148971557617 177566.4609375 140831.828125 304.297943115234 10320.1047394528 7960.24951568436 471 8.34 757.63135 w/o MS2:SE 24:1;O4/24:0;1O [M-H]- ion correlated with 416; ion correlated with 406; ion correlated with 414 0.75 False 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 92.9 99.9 null null null 226.36 YILU0371-neg-1 757.63135:12784 758.6347:7323 759.63806:1722 0 0 0 0 94573 94058 95009 100775 101247 97725 97286 94742 93100 91539 93082 93102 0 97231.2018229167 93808.578125 0 3194.20655095999 1982.12296729923 472 8.423 758.65051 w/o MS2:RIKEN N-VS1 ID-5318 from Mouse_Feces_WT_ABX_Ctr [M+FA-H]- ion correlated with 370; ion correlated with 457; ion correlated with 500; adduct linked to 386_[M-H]- 0.75 False 12.76 758.65228 Unknown 530 True True False False False null null 98.4 99.9 null null null 144.66 YILU0370-neg-1 758.65051:8722 759.65386:4817 760.65722:909 0 0 0 0 70104 70985 67678 65686 61524 65766 50687 51132 48328 51937 51389 49448 0 66957.0774739583 50486.8873697917 0 3440.97875876744 1350.02905108675 473 7.753 759.60992 w/o MS2:RIKEN N-VS1 ID-5329 from Mouse_AdrenalGlands_WT_N_Ctr [M-H]- ion correlated with 319; ion correlated with 421 0.75 False 7.15 759.61627 Unknown 530 True True False False False null null 81.8 100 null null null 28.58 YILU0371-neg-2 759.60992:5737 760.61327:3146 761.61663:739 489 247 532 0 45083 44325 43615 45140 47492 43295 39220 36379 33395 39143 32819 34839 317.105026245117 44824.97265625 35965.7747395833 245.71717427726 1505.43791663539 2779.82563040331 474 8.768 759.64697 Unknown [M-H]- ion correlated with 422 0.75 False null null null null null null 999 False False False False False null null null null null null null 257.78 YILU0370-neg-1 759.64697:19861 760.65032:10890 761.65368:2729 595 0 0 0 158211 158296 149237 137822 148515 142912 124195 130042 122237 132173 138162 135634 148.734313964844 149165.4375 130407.303385417 297.468627929688 8165.81277002585 6261.70811836554 475 3.969 760.49249 w/o MS2:PE O-16:2_22:6;1O [M-H]- ion correlated with 627 0.625 False 8.22 760.49231 C43H72NO8P EtherOxPE WBMHWRBMJQBXCX-UHFFFAOYSA-N O=C(OC(COCCCCCCCCC=CCC=CCCC)COP(=O)(O)OCCN)CCC=CC=CC(O)CC=CCC=CCC=CCC=CCC 530 True True False False False null null 100 99.9 null null null 62.69 YILU0372-neg-2 760.49249:3823 761.49584:1788 762.4992:482 0 0 0 0 28366 28113 25259 27993 29785 29710 29720 32890 32903 27187 27145 27933 0 28204.2825520833 29629.6591796875 0 1644.19961909646 2696.9052216192 476 8.852 761.58868 Unknown [M-H]- ion correlated with 367 0.062 False null null null null null null 999 False False False False False null null null null null null null 66 YILU0372-neg-3 761.58868:3300 762.59203:2000 763.59539:2979 0 0 0 0 22529 25874 25207 25444 26093 23642 34737 32002 32259 25396 26239 24269 0 24798.0706380208 29150.51953125 0 1407.43984299316 4367.94370443429 477 8.212 761.62683 w/o MS2:PE-Cer 12:0;2O/28:0;O [M-H]- ion correlated with 447; ion correlated with 425 0.75 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 83.9 100 null null null 411.88 YILU0370-neg-1 761.62683:23655 762.63018:12745 763.63354:3244 61.98839:2982 698.63281:69 761.45691:74 761.49384:75 761.62653:9026 761.8252:81 761.99524:58 1156 0 0 0 177912 177200 176070 171792 171021 167698 134840 131285 130014 140210 148058 142946 289.072845458984 173615.536458333 137892.08984375 578.145690917969 4059.64403942303 7060.91103768302 478 4.405 762.50763 PE 38:6|PE 18:2_20:4 [M-H]- similar chromatogram in higher mz_532 0.75 True 8.94 762.50787 C43H74NO8P PE VFHZIDQZQBGNBH-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCC=CCC=CCC=CCC=CCC)COP(=O)(O)OCCN)CCCCCCCC=CCC=CCCCCC 410 True True True False False null null 100 99.9 61.5 56.8 100 224.04 YILU0372-neg-3 762.50763:12802 763.51098:7446 764.51434:1380 279.22897:189 303.23212:287 476.24457:50 762.37756:52 762.50702:7219 762.65479:52 0 0 0 0 78634 79458 78775 84829 82429 85728 89861 91914 95974 77223 82367 77661 0 81642.0611979167 85833.265625 0 3146.71823707811 7861.01465699717 479 2.523 763.42755 Unknown [M+Hac-H]- ion correlated with 368; adduct linked to 368_[M-H]- 0.75 True null null null null null null 999 False False False False False null null null null null null null 325.21 YILU0370-neg-1 763.42755:21281 764.4309:11034 765.43426:5582 43.01942:60 69.03491:80 95.04865:64 161.0451:53 163.11284:101 189.09206:988 207.08389:138 207.10339:456 235.08125:110 253.09312:107 277.19449:95 277.21655:928 513.30591:298 703.25433:52 703.40643:9044 703.86255:63 704.41418:357 763.42725:486 0 0 0 0 165047 154654 159430 146056 148674 146384 92388 93238 93958 112539 107720 115042 0 153374.104166667 102480.856770833 0 7733.96306203921 10453.1391310707 480 8.915 763.60229 w/o MS2:SM 12:0;2O/22:0 [M-H2O-H]- ion correlated with 498; ion correlated with 452; adduct linked to 612_[M+Hac-H]- 0.75 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 87.4 100 null null null 128.86 YILU0372-neg-1 763.60229:7747 764.60564:6536 765.609:4351 0 0 0 0 60588 62409 58076 63998 61981 63108 70071 68127 65485 57154 52620 50452 0 61693.33203125 60651.4420572917 0 2107.67475580202 8351.40824889613 481 9.959 763.60345 w/o MS2:SM 12:0;2O/22:0 [M-H]- 0.75 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 81.8 100 null null null 159.66 YILU0371-neg-2 763.60345:8479 764.6068:5102 765.61016:2115 0 0 0 0 76209 77912 76869 76960 77856 79502 80740 76259 76181 72165 69796 70420 0 77551.2838541667 74260.2916666667 0 1152.73831035065 4212.62350420441 482 8.487 763.604 w/o MS2:SM 12:0;2O/22:0 [M-H]- ion correlated with 376 0.75 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 90.3 100 null null null 344.3 YILU0372-neg-2 763.604:20531 764.60735:17175 765.61071:4716 202.09892:372 717.57166:111 763.60211:13851 763.74664:97 763.8374:68 763.86725:58 763.92468:50 763.97186:67 764.03662:54 0 0 0 0 120463 122418 122470 129277 135337 131202 141739 142866 142058 118178 131961 117713 0 126861.24609375 132419.358072917 0 5941.11612832865 11901.1089337728 483 9.355 763.60413 Unknown [M-H]- ion correlated with 454 0.75 False null null null null null null 999 False False False False False null null null null null null null 130.71 YILU0372-neg-1 763.60413:7992 764.60748:5198 765.61084:1629 0 0 0 0 58046 54071 52861 56102 55393 54321 63082 61515 55024 43124 38473 41052 0 55132.2141927083 50378.4381510417 0 1813.30181235382 10847.4830340646 484 8.277 763.60779 Unknown [M+Hac-H]- adduct linked to 369_[M-H]- 0.062 False null null null null null null 999 False False False False False null null null null null null null 67.96 YILU0372-neg-3 763.60779:3398 764.61114:1894 765.6145:891 0 0 0 0 17974 14412 16313 18890 16036 16436 23526 23556 22624 16561 15813 15407 0 16676.6391601563 19581.2493489583 0 1569.11903839763 4034.00573360354 485 2.563 765.43475 Unknown [M-H]- ion correlated with 285 0.25 False null null null null null null 999 False False False False False null null null null null null null 128.79 YILU0372-neg-1 765.43475:6930 766.4381:3777 767.44146:874 0 0 0 0 56960 56715 56965 56852 57112 58832 54273 52648 50162 46980 43745 47036 0 57239.1868489583 49140.6438802083 0 791.330113619345 3947.0058565187 486 2.935 765.44318 w/o MS2:PA 16:4_26:7 [M+Hac-H]- ion correlated with 371; adduct linked to 371_[M-H]- 0.75 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 90.3 99.9 null null null 152.98 YILU0370-neg-3 765.44318:10065 766.44653:3935 767.44989:1425 189.09219:241 207.10251:194 277.21692:59 279.23291:534 515.31732:174 705.26129:71 705.32172:102 705.42017:4445 706.41833:84 765.37048:57 765.45978:411 0 0 0 0 83453 84461 85864 78537 76640 78440 45490 44844 44016 56259 54895 55201 0 81232.4713541667 50117.5475260417 0 3820.16554924641 5879.5014017013 487 4.873 765.48364 w/o MS2:SMGDG O-8:0_22:1 [M+FA-H]- adduct linked to 502_[M+Hac-H]- 0.75 True 8.09 765.48279 C39H74O12S EtherSMGDG OPBOYSVLWXYSJH-UHFFFAOYSA-N O=C(OC(COCCCCCCCC)COC1OC(CO)C(O)C(OS(=O)(=O)O)C1O)CCCCCCCCCCCC=CCCCCCCCC 530 True True False False False null null 99.8 99.9 null null null 147.57 YILU0372-neg-1 765.48364:11653 766.48699:6042 767.49035:2035 44.99849:142 249.18459:153 251.20029:158 485.27487:60 719.47241:61 765.36926:54 765.48413:5687 765.59137:91 0 0 0 0 69027 64000 63548 67478 68119 66619 73396 67382 65567 62529 60535 61852 0 66465.251953125 65210.2194010417 0 2232.92811064322 4736.555141945 488 8.891 765.6167 Unknown [M-H]- 0.75 False null null null null null null 999 False False False False False null null null null null null null 85.26 YILU0372-neg-1 765.6167:5067 766.62005:3874 767.62341:1487 0 0 0 0 48123 45941 46047 45397 47117 43269 52086 51466 50222 45849 41117 41208 0 45982.2057291667 46991.453125 0 1648.08074852726 5013.54680764221 489 7.929 765.62036 Unknown [M-H]- adduct linked to 551_[M+FA-H]-; similar chromatogram in higher mz_900 0.75 True null null null null null null 999 False False False False False null null null null null null null 1051.25 YILU0370-neg-1 765.61975:52439 766.6231:38201 767.62646:9224 149.06126:414 433.33307:58 519.39093:52 571.453:62 664.96509:51 668.98767:58 705.49365:75 747.60944:115 765.44122:94 765.61932:35981 0 0 0 0 419172 423114 412991 423336 421159 415304 455759 445443 443866 366199 357232 366002 0 419179.109375 405750.192708333 0 4242.21414999686 46962.5015843983 490 7.198 765.65698 Unknown [M+FA-H]- adduct linked to 505_[M+Hac-H]- 0.75 True null null null null null null 999 False False False False False null null null null null null null 542.54 YILU0370-neg-1 765.65686:23375 766.66021:13387 767.66357:2492 44.99788:937 158.97758:58 255.2325:154 651.52258:107 669.52936:814 697.4776:53 697.52716:759 702.61267:195 765.54755:116 765.65631:7660 765.76422:75 0 0 0 0 178612 172493 170264 180987 183025 171257 246593 231096 223268 257277 248736 243141 0 176106.0859375 241685.028645833 0 5453.0093796191 12412.5428779212 491 2.53 766.40515 Unknown [M-H]- 0.562 False null null null null null null 999 False False False False False null null null null null null null 200.04 YILU0371-neg-2 766.40515:10640 767.4085:4688 768.41186:1165 0 0 0 0 86740 83384 85021 87133 88311 86011 43113 45075 40834 68204 79035 68525 0 86100.10546875 57464.2708333333 0 1727.16851065635 16364.4641005901 492 2.94 768.41644 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 78.28 YILU0370-neg-2 768.41644:4457 769.41979:2109 770.42315:501 0 0 0 0 38533 39539 37979 33540 35225 34811 17474 16620 14951 25550 25571 23346 0 36604.326171875 20585.2954101563 0 2396.91513148183 4780.60295162686 493 7.118 768.60022 w/o MS2:HexCer 16:0;2O/22:2;O [M-H]- adduct linked to 558_[M+FA-H]-; found in higher mz's MsMs_587; found in higher mz's MsMs_558 0.75 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 99.9 100 null null null 1523.91 YILU0372-neg-1 768.60022:80476 769.60357:53077 770.60693:13085 59.01428:159 71.013:177 89.02465:376 101.02522:99 119.03481:319 143.035:88 161.04552:74 179.05406:72 278.25089:61 352.32098:80 558.52576:71 588.5351:313 606.54333:178 768.39703:63 768.59991:48013 0 0 0 0 541539 554946 555568 568021 567750 553118 566590 559751 564112 494617 454224 480868 0 556823.354166667 520026.947916667 0 9972.14766899747 49393.6572246561 494 8.533 768.67072 w/o MS2:Cer 12:1;3O/32:0;(2OH) [M+Hac-H]- ion correlated with 569; adduct linked to 376_[M-H]- 0.75 False 13.17 768.6723 C44H87NO5 Cer_AP GUSQTENWLGZZEQ-UHFFFAOYSA-N O=C(NC(CO)C(O)C(O)CCCC=CCCC)C(O)CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC 530 True True False False False null null 98.7 99.9 null null null 94 YILU0371-neg-1 768.67072:5030 769.67407:3766 770.67743:947 0 0 0 0 37299 38990 38237 41610 41002 38363 39512 38824 39540 36485 36301 36359 0 39250.1647135417 37837.048828125 0 1692.71799157857 1615.7223222938 495 8.953 770.68909 w/o MS2:Cer 12:0;3O/32:0;(2OH) [M+Hac-H]- ion correlated with 470; ion correlated with 424; adduct linked to 381_[M-H]- 0.75 True 13.26 770.68793 C44H89NO5 Cer_AP ZMSCBSJHQQZLQH-UHFFFAOYSA-N O=C(NC(CO)C(O)C(O)CCCCCCCC)C(O)CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC 530 True True False False False null null 99.7 99.9 null null null 419.93 YILU0370-neg-3 770.68909:24013 771.69244:14932 772.6958:3343 44.99739:67 61.98893:357 89.02608:78 158.97461:61 411.29221:59 411.38504:68 674.6485:59 710.46783:65 710.55225:169 710.66681:22179 710.90155:50 710.95154:87 710.99005:118 711.04663:52 711.09058:66 711.36737:59 711.48724:99 711.66449:242 0 0 0 0 176539 170732 176269 168631 166846 163795 141569 138458 138681 143743 133941 142398 0 170468.591145833 139798.40625 0 5130.40711607771 3544.3752459057 496 5.612 773.52118 w/o MS2:PE-Cer 12:2;2O/30:6;O [M-H]- ion correlated with 398; ion correlated with 882; ion correlated with 860; adduct linked to 593_[M+CH3COO]- 0.75 False 8.74 773.52393 C44H75N2O7P PE_Cer IMGLMDNSQQIYLF-UHFFFAOYSA-N O=C(NC(COP(=O)(O)OCCN)C(O)C=CCCC=CCCC)CC(O)CCCCCCCCC=CCC=CCC=CCC=CCC=CCC=CCC 530 True True False False False null null 96.3 100 null null null 87.7 YILU0372-neg-1 773.52118:5266 774.52453:4093 775.52789:1024 0 0 0 0 32679 31936 31300 34023 33129 33095 38017 36787 35808 32028 29811 30973 0 32693.5693359375 33904.0009765625 0 962.788547893218 3397.7361147798 497 7.977 773.62653 Unknown [M-H]- ion correlated with 456; ion correlated with 451; ion correlated with 618; ion correlated with 372 0.75 False null null null null null null 999 False False False False False null null null null null null null 194.43 YILU0371-neg-1 773.62653:11158 774.62988:6186 775.63324:1590 0 0 0 0 80789 82076 79889 87335 85458 75226 71150 69709 65187 69103 67462 65839 0 81795.5533854167 68075.31640625 0 4289.11228346113 2319.57782118828 498 8.953 773.66132 Unknown [M-H]- ion correlated with 480; ion correlated with 452 0.75 False null null null null null null 999 False False False False False null null null null null null null 137.02 YILU0370-neg-1 773.66132:7987 774.66467:3866 775.66803:1037 272 0 0 0 60008 58290 55557 51448 54558 54812 45530 43711 42387 47270 48710 46345 67.8776550292969 55778.76953125 45658.7805989583 135.755310058594 3014.16920266999 2319.12551518945 499 6.067 775.53577 w/o MS2:PE-Cer 12:1;2O/30:6;O [M-H]- adduct linked to 595_[M+CH3COO]-; found in higher mz's MsMs_572 0.75 False 9.24 775.53961 C44H77N2O7P PE_Cer SCBQIYUORKXRRQ-UHFFFAOYSA-N O=C(NC(COP(=O)(O)OCCN)C(O)C=CCCCCCCC)CC(O)CCCCCCCCC=CCC=CCC=CCC=CCC=CCC=CCC 530 True True False False False null null 92.9 99.9 null null null 118.75 YILU0372-neg-3 775.53577:6812 776.53912:3552 777.54248:1111 0 0 0 0 48791 46569 48138 51585 52127 50004 52230 50051 50259 46394 48570 48760 0 49535.6829427083 49377.1790364583 0 2118.61931658965 1964.95611025249 500 8.432 775.64124 Unknown [M-H]- ion correlated with 472 0.75 False null null null null null null 999 False False False False False null null null null null null null 123.35 YILU0370-neg-2 775.64124:8304 776.64459:4658 777.64795:991 0 0 0 0 60789 62291 61347 56148 60874 53389 41778 41872 38498 44289 50343 45716 0 59139.6569010417 43749.357421875 0 3536.97838497221 4064.99047720025 501 6.475 777.56165 w/o MS2:RIKEN N-VS1 ID-5634 from Mouse_AdrenalGlands_fads2KO_N_Ctr [M-H]- ion correlated with 128; ion correlated with 691; ion correlated with 461; ion correlated with 668; ion correlated with 375; similar chromatogram in higher mz_668 0.75 False 11.12 777.56097 Unknown 530 True True False False False null null 99.8 99.9 null null null 23.33 YILU0371-neg-1 777.56165:5441 778.565:2347 779.56836:693 0 0 0 0 48142 44116 48882 48076 48189 47275 51029 48766 49118 41364 41132 42034 0 47446.56640625 45573.7708333333 0 1709.77305016451 4527.56430087363 502 4.873 779.49481 w/o MS2:CL 15:0_22:3_22:6_22:6 [M+Hac-H]- ion correlated with 807; adduct linked to 487_[M+FA-H]- 0.75 False 13.27 779.49451 C90H146O17P2 CL BGCQRKHOMOMDBA-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)CCCCCCCCCCCCCC)COC(=O)CCCCCCCCC=CCC=CCC=CCCCCC)CCC=CCC=CCC=CCC=CCC=CCC=CCC 530 True True False False False null null 100 99.6 null null null 60.68 YILU0372-neg-2 779.49481:4533 780.49816:2869 781.50152:833 0 0 0 0 24517 23895 23783 25887 27334 24935 27865 29964 29057 25626 22110 24858 0 25058.5319010417 26579.9573567708 0 1353.09470473372 2935.63312495872 503 5.173 779.49841 w/o MS2:SMGDG O-8:0_23:1 [M-H2O-H]- similar chromatogram in higher mz_634; adduct linked to 617_[M+FA-H]- 0.5 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 100 100 null null null 44.82 YILU0371-neg-2 779.49841:3390 780.50176:1831 781.50512:515 0 0 0 0 20181 19040 19487 21145 22343 19575 22549 21836 20474 20915 19275 19147 0 20295.3697916667 20699.3033854167 0 1239.11528575513 1360.13165140091 504 8.346 779.59857 w/o MS2:RIKEN N-VS1 ID-5669 from Mouse_SmallIntestine_fads2KO_N_Ctr [M-H]- ion correlated with 389; ion correlated with 412 0.75 True 8.54 779.59918 Unknown 530 True True False False False null null 99.9 100 null null null 566.84 YILU0371-neg-1 779.59857:30416 780.60192:21111 781.60528:5643 83.02422:125 136.05421:52 201.09161:51 219.10211:55 354.17615:55 719.57159:113 733.58862:211 751.59814:488 761.58685:599 779.5022:188 779.59772:8232 825 298 638 294 282286 291114 286200 313758 310395 306937 299321 309443 299480 297741 287883 296543 513.678436279297 298448.276041667 298402.041666667 262.819730295339 13521.7622911067 6905.78695986388 505 7.198 779.67279 Unknown [M+Hac-H]- adduct linked to 490_[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 1915.44 YILU0370-neg-1 779.67249:76965 780.67584:49652 781.6792:10590 59.01401:6133 61.98793:85 255.23055:343 651.51788:489 669.47461:53 669.53107:678 702.61383:1682 703.53668:51 711.26599:55 711.42859:68 711.54028:4616 712.54071:282 734.01337:50 758.96472:52 779.43103:54 779.46124:106 779.67157:32236 779.94635:101 779.97711:75 780.0423:63 780.0882:77 0 0 0 0 598139 588064 577792 640891 626178 609070 891858 867280 841049 946364 869856 874619 0 606689.177083333 881837.697916667 0 23707.7967229868 35596.0784802119 506 7.809 781.61298 w/o MS2:PE-Cer 13:1;2O/30:2 [M-H]- 0.75 True 12.29 781.62292 C45H87N2O6P PE_Cer DPHIPMUCWOXJEV-UHFFFAOYSA-N O=C(NC(COP(=O)(O)OCCN)C(O)C=CCCCCCCCC)CCCCCCCCCCCCCCCCCC=CCC=CCCCCCCC 530 True True False False False null null 85.2 99.9 null null null 231.37 YILU0370-neg-1 781.61407:11806 782.61742:8091 783.62078:1932 149.06017:166 158.97754:68 163.07651:654 637.48798:58 705.5611:69 747.60919:126 763.60016:2030 781.50342:101 781.61212:3637 0 0 0 0 91785 93125 90626 90322 91920 88751 92421 95311 95006 94483 86687 88096 0 91087.8463541667 92000.765625 0 1522.45839372917 3736.47769793074 507 5.991 785.49677 w/o MS2:PG 14:0_22:4;1O [M-H]- ion correlated with 891; ion correlated with 239; ion correlated with 249 0.062 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 99.8 100 null null null 62.73 YILU0371-neg-1 785.49677:3136 786.50012:2123 787.50348:1567 0 0 0 0 27731 29257 28249 26762 25880 26673 27928 29751 30855 29971 28486 27511 0 27425.4381510417 29083.6604817708 0 1226.69232279947 1306.69771474299 508 6.378 785.54169 w/o MS2:CL 14:1_17:2_28:0_22:6 [M-H]- 0.75 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 144.04 YILU0372-neg-2 785.54169:7886 786.54504:5016 787.5484:1205 0 0 0 0 54962 55370 56179 55650 54152 53785 57783 58764 57280 49750 48684 47972 0 55016.5286458333 53372.3196614583 0 910.561798762523 5060.53293022153 509 6.217 785.57715 w/o MS2:DGGA 13:0_22:0 [M-H]- 0.125 False 11.33 785.57843 C44H82O11 DGGA IFAQZXXFSMYXKJ-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCCCCCCC)COC1OC(C(=O)O)C(O)C(O)C1O)CCCCCCCCCCCCCCCCCCCCC 530 True True False False False null null 99.2 99.9 null null null 66.48 YILU0371-neg-1 785.57715:3586 786.5805:1715 787.58386:560 0 0 0 0 19521 19129 17301 23271 21808 20898 15009 14587 13652 17368 17513 17817 0 20321.3274739583 15991.0646158854 0 2117.92815162816 1786.03004808197 510 4.344 786.50708 PE 40:8|PE 20:4_20:4 [M-H]- 0.75 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 73.2 67.7 100 382.48 YILU0370-neg-3 786.50848:17404 787.51183:10138 788.51519:2112 259.24268:53 303.23239:614 786.50732:10633 0 0 0 0 160948 164409 156752 177785 174013 177774 193079 196165 197504 162560 171419 162758 0 168613.572916667 180580.880208333 0 9102.71286079811 16803.5845488281 511 4.143 787.46808 w/o MS2:SMGDG O-8:0_24:4 [M-H]- 0.75 True 7.75 787.46722 C41H72O12S EtherSMGDG QZGAUEAUKLWFRV-UHFFFAOYSA-N O=C(OC(COCCCCCCCC)COC1OC(CO)C(O)C(OS(=O)(=O)O)C1O)CCCCCCCCCCC=CCC=CCC=CCC=CCC 530 True True False False False null null 99.9 99.9 null null null 690.4 YILU0371-neg-3 787.46808:36208 788.47143:22879 789.47479:6518 248.28981:62 787.2428:56 787.34412:296 787.46765:27957 787.80048:55 0 0 0 0 249818 249074 253192 264175 261358 264754 258756 259990 260863 245397 262797 245996 0 257061.765625 255633.223958333 0 7204.01665003249 7811.04462064391 512 6.458 787.51245 w/o MS2:PG 14:0_22:3;1O [M-H]- ion correlated with 886 0.688 False 8.35 787.51312 C42H77O11P OxPG HDYRVTOQTIDFSZ-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCCC(O)C=CCC=CCC=CCCCCC)COP(=O)(O)OCC(O)CO)CCCCCCCCCCCCC 530 True True False False False null null 99.8 100 null null null 69.68 YILU0372-neg-3 787.51245:3727 788.5158:2324 789.51916:1750 0 0 0 0 36250 34210 35783 30947 31427 31991 34862 34999 35941 32098 30204 29855 0 33434.7555338542 32992.8981119792 0 2295.3626709828 2631.82409041815 513 9.299 787.646 Unknown [M-H]- 0.75 True null null null null null null 999 False False False False False null null null null null null null 311.01 YILU0370-neg-1 787.64545:16316 788.6488:12967 789.65216:2671 58.96667:62 59.01403:9105 787.64355:739 0 0 0 0 106131 102128 100501 114493 109433 105357 105567 103271 100884 95397 79555 85699 0 106340.46484375 95062.1796875 0 5077.02871757351 10391.1669678206 514 2.846 789.44244 Unknown [M+Hac-H]- ion correlated with 413; adduct linked to 413_[M-H]- 0.562 True null null null null null null 999 False False False False False null null null null null null null 76.72 YILU0370-neg-2 789.44147:4112 790.44482:2600 791.44818:513 158.97539:84 163.10844:80 189.09047:322 207.10184:115 253.02721:54 303.23209:351 539.32294:59 729.30798:51 729.42218:2021 788.97119:68 789.44055:193 0 0 0 0 32844 32643 32422 32743 31363 32146 22014 23327 21384 26982 25599 27524 0 32360.2333984375 24471.7268880208 0 548.578300801179 2598.98031236925 515 4.576 789.4837 w/o MS2:SMGDG O-8:0_24:3 [M-H]- 0.75 True 7.92 789.48279 C41H74O12S EtherSMGDG SFXIUGXVSXAZKK-UHFFFAOYSA-N O=C(OC(COCCCCCCCC)COC1OC(CO)C(O)C(OS(=O)(=O)O)C1O)CCCCCCCCC=CCC=CCC=CCCCCCCC 530 True True False False False null null 99.8 99.9 null null null 1535.19 YILU0371-neg-3 789.4837:82654 790.48705:57111 791.49041:18295 80.96576:90 152.98785:87 168.91838:68 225.00877:76 235.08141:60 249.18396:71 537.27753:66 789.28876:165 789.4837:63362 0 0 0 0 497821 516158 504606 544265 531102 537886 540786 527967 530195 441266 449016 445435 0 521973.010416667 489110.822916667 0 18720.0584835728 48316.3048111522 516 6.941 789.52734 w/o MS2:PG 18:0_18:2;1O [M-H]- 0.125 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 99.1 100 null null null 60.59 YILU0372-neg-2 789.52734:3043 790.53069:1056 791.53405:1031 0 0 0 0 33864 32100 35595 33115 34143 32198 32648 34210 34542 31350 31356 31866 0 33502.4290364583 32662.15625 0 1322.14049675016 1413.62565669312 517 7.237 789.57373 w/o MS2:MGDG 10:0_22:0 [M-H]- 0.75 False 10.73 789.57343 C41H78O10 MGDG ZUQGXPHXQQLBLH-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCCCCCCCCCCCCCCCC)COC1OC(CO)C(O)C(O)C1O)CCCCCCCCC 530 True True False False False null null 100 99.9 null null null 106.67 YILU0372-neg-1 789.57373:6257 790.57708:3561 791.58044:1165 0 0 0 0 34283 34904 34991 39616 38728 37457 42792 39426 37749 35589 32827 32206 0 36663.1725260417 36764.8779296875 0 2243.45801635991 4051.13563802256 518 8.948 789.60089 w/o MS2:PG O-10:0_28:1 [M-H]- ion correlated with 382 0.062 False 12.34 789.6015 C44H87O9P EtherPG CDHJAZWFDNGLSS-UHFFFAOYSA-N O=C(OC(COCCCCCCCCCC)COP(=O)(O)OCC(O)CO)CCCCCCCCCCCCCCCC=CCCCCCCCCCC 530 True True False False False null null 99.8 99.9 null null null 61.77 YILU0372-neg-3 789.60089:3088 790.60424:2360 791.6076:617 0 0 0 0 21090 20545 20957 20026 22625 21069 22776 21713 22403 20220 17891 18438 0 21052.0452473958 20573.4026692708 0 870.953277257449 2067.48167670784 519 3.301 791.48767 w/o MS2:PG 6:0_32:7 [M-H]- 0.062 False 7.94 791.48688 C44H73O10P PG LYFNMILQHTUTFY-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCCCCC=CCC=CCC=CCC=CCC=CCC=CCC=CCC)COP(=O)(O)OCC(O)CO)CCCCC 530 True True False False False null null 99.7 99.9 null null null 62.83 YILU0372-neg-2 791.48767:3180 792.49102:1637 793.49438:471 0 0 0 0 25148 27594 25963 25551 28422 25217 24814 29123 27132 24631 23896 24495 0 26315.8662109375 25681.982421875 0 1367.5007800479 2019.67918371005 520 5.009 791.49719 w/o MS2:SM 36:8;3O [M+FA-H]- ion correlated with 869; adduct linked to 538_[M+CH3COO]-; similar chromatogram in higher mz_907 0.75 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 99.8 100 null null null 1861.8 YILU0372-neg-1 791.49719:96533 792.50054:56541 793.5039:14020 44.99786:2440 235.08163:134 249.18504:3731 253.09164:238 277.17725:200 277.21683:4674 485.27078:217 513.2691:121 513.30609:1096 745.48859:4050 746.49249:137 788.69562:57 791.28577:64 791.49664:36063 791.87616:90 791.98102:51 0 0 0 0 733127 719942 721319 754112 749385 755266 767818 769299 759959 749394 764212 728434 0 738858.53125 756519.28125 0 16192.5873431888 15501.8402215446 521 7.018 792.5752 w/o MS2:PC O-14:0_18:1;1O [M-H]- ion correlated with 649; ion correlated with 712; similar chromatogram in higher mz_678 0.75 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 99.7 100 null null null 151.48 YILU0372-neg-1 792.5752:8859 793.57855:4670 794.58191:1217 0 0 0 0 63335 60519 60916 69169 69064 66098 77755 74320 71751 59965 56917 57834 0 64850.1555989583 66423.568359375 0 3859.89419953218 9219.59018794243 522 5.482 793.51654 w/o MS2:SMGDG O-8:0_24:1 [M-H]- 0.75 True 8.59 793.5141 C41H78O12S EtherSMGDG LVNTXGQNGHDZFQ-UHFFFAOYSA-N O=C(OC(COCCCCCCCC)COC1OC(CO)C(O)C(OS(=O)(=O)O)C1O)CCCCCCCCCCCC=CCCCCCCCCCC 530 True True False False False null null 98.8 100 null null null 7162.15 YILU0372-neg-1 793.51654:372410 794.51989:254113 795.52325:81849 44.99772:1918 73.03017:52 78.98509:118 80.9656:299 94.98085:129 96.95992:76 122.96999:51 148.9903:83 152.98288:84 155.69266:52 164.98511:65 225.00774:271 235.08182:72 249.18494:512 251.20074:2908 253.09154:152 277.2171:3069 279.23178:283 423.31345:62 469.27975:82 485.27536:51 487.28992:272 513.30701:797 515.31744:124 537.27533:221 745.48969:55 747.39111:64 747.44702:245 747.50507:3716 748.50409:86 788.43335:51 791.00104:55 792.70807:50 792.94763:54 792.99414:53 793.09723:56 793.15918:69 793.24609:125 793.5152:267799 0 0 0 0 2685233 2634125 2675468 2771250 2685758 2621729 2835938 2724320 2618807 2637204 2572876 2537863 0 2678927.41666667 2654501.41666667 0 52727.2172908989 109210.107007853 523 8.13 794.61292 w/o MS2:CL 12:0_15:0_26:0_28:0 [M+Hac-H]- adduct linked to 393_[M-H2O-H]- 0.5 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 99.5 99.8 null null null 72.12 YILU0373-neg-2 794.61292:3791 795.61627:2366 796.61963:2180 0 0 0 0 28268 26891 26583 28033 27073 26253 25785 25608 25606 25774 27640 24015 0 27183.4775390625 25737.8707682292 0 802.610173764638 1151.09229704019 524 5.97 795.52673 w/o MS2:MGDG 11:0_22:4 [M+FA-H]- adduct linked to 543_[M+CH3COO]- 0.75 True 8.83 795.52643 C42H72O10 MGDG UPUXDIKOBJNYAV-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCCCC=CCC=CCC=CCC=CCC)COC1OC(CO)C(O)C(O)C1O)CCCCCCCCCC 530 True True False False False null null 100 100 null null null 1809.7 YILU0373-neg-3 795.52673:92267 796.53008:53174 797.53344:12497 44.99777:2455 235.08144:172 251.16185:82 251.20065:2649 253.21919:115 277.2164:344 279.1835:67 279.23184:3734 280.23676:72 487.28922:326 489.30417:77 513.30707:144 515.31915:722 749.35223:51 749.41962:108 749.51886:4414 795.5257:27644 795.85852:65 795.90472:56 795.98676:76 0 0 0 0 719889 715607 711564 719506 715572 719601 726034 732664 736658 715635 733576 727456 0 716956.354166667 728670.354166667 0 3313.75037878786 7512.38376882492 525 9.398 795.62958 w/o MS2:AAHFA 28:6/26:5;O [M+FA-H]- adduct linked to 459_[M-H]- 0.75 False 12.97 795.6297 C54H84O4 FAHFA SWKMTVVIZFGRIA-UHFFFAOYSA-N O=C(OC(C(=O)O)CCCCCCCCC=CCC=CCC=CCC=CCC=CCC)CCCCCCCCC=CCC=CCC=CCC=CCC=CCC=CCC 530 True True False False False null null 100 99.9 null null null 203.62 YILU0370-neg-1 795.62958:11216 796.63293:8564 797.63629:2166 0 0 0 0 75852 72790 73290 74079 73222 68407 71209 74368 69352 63686 61976 60323 0 72940 66818.986328125 0 2471.99380603496 5623.70296662893 526 8.581 796.62762 w/o MS2:HexCer 16:0;2O/24:2;O [M+Hac-H]- ion correlated with 334; adduct linked to 396_[M-H2O-H]- 0.75 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 95.1 100 null null null 124.32 YILU0370-neg-2 796.62762:6844 797.63097:3164 798.63433:802 277 0 0 0 65855 65841 64486 61062 62376 62863 57864 57740 55666 59394 66207 57870 69.3216857910156 63747.2337239583 59123.5944010417 138.643371582031 1961.9208501849 3668.25687820135 527 6.36 796.65442 SM 18:1;2O/18:1(d9) [M-H]- similar chromatogram in higher mz_621; similar chromatogram in higher mz_598 0.75 False null null null null null null 999 True False False False True null null null null null null null 294.75 YILU0373-neg-1 796.65442:17604 797.65777:9724 798.66113:2163 0 0 0 0 114994 112118 116636 125480 120184 124257 99302 97951 99923 141759 138802 141796 0 118944.907552083 119922.1171875 0 5291.71672979101 22889.5581245277 528 6.465 797.54315 w/o MS2:MGDG 18:1_15:2 [M+FA-H]- adduct linked to 549_[M+CH3COO]- 0.75 True 8.97 797.54211 C42H74O10 MGDG GJGHBBPKJFJAQF-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCC=CCC=CCCC)COC1OC(CO)C(O)C(O)C1O)CCCCCCCC=CCCCCCCCC 530 True True False False False null null 70.7 100 null null null 1904.47 YILU0372-neg-1 797.54315:101652 798.5465:59825 799.54986:15626 44.99783:3131 235.08205:139 251.20035:268 253.09198:149 253.21674:250 255.19093:55 255.23216:2492 277.16821:64 277.21603:3087 279.21371:59 279.23157:368 280.23123:67 281.24756:323 489.30255:73 491.32172:722 513.27209:88 513.30536:541 517.34613:85 722.61572:82 723.62274:228 751.42499:51 751.47198:205 751.53448:5806 751.76727:50 752.53784:91 796.65228:75 797.37524:151 797.54199:32444 797.64984:834 797.82294:56 797.93451:70 0 0 0 0 828879 811961 807437 807796 808909 813169 855458 837317 850028 756403 754484 755322 0 813025.104166667 801501.802083333 0 8099.5608717451 50844.7637074485 529 6.886 797.60638 w/o MS2:PA 15:0_28:2 [M-H]- ion correlated with 670; ion correlated with 339 0.25 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 100 99.8 null null null 65.04 YILU0371-neg-1 797.60638:3905 798.60973:1954 799.61309:0 0 0 0 0 48656 50042 46996 49213 49125 51045 45301 46386 43716 44251 43992 44027 0 49179.2721354167 44612.01171875 0 1361.58668804736 1027.91184801877 530 5.952 799.53601 w/o MS2:PE-Cer 16:3;2O/28:6;O [M-H]- adduct linked to 637_[M+CH3COO]-; found in higher mz's MsMs_619; similar chromatogram in higher mz_884 0.75 False 8.91 799.53961 C46H77N2O7P PE_Cer WMEHVYXWPILJRB-UHFFFAOYSA-N O=C(NC(COP(=O)(O)OCCN)C(O)C=CCCC=CCCC=CCCC)CC(O)CCCCCCC=CCC=CCC=CCC=CCC=CCC=CCC 530 True True False False False null null 93.7 100 null null null 92.04 YILU0372-neg-3 799.53601:5543 800.53936:2773 801.54272:652 0 0 0 0 40782 42007 40081 40241 41085 40902 43940 46510 46875 40112 39666 41330 0 40849.873046875 43072.3157552083 0 687.399783585986 3175.97751157896 531 6.89 799.55615 w/o MS2:MGDG 15:1_18:1 [M+FA-H]- ion correlated with 717; ion correlated with 604; adduct linked to 555_[M+CH3COO]- 0.75 True 9.55 799.55768 C42H76O10 MGDG IJNLBISIDOVQID-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCCC=CCCCCCCCC)COC1OC(CO)C(O)C(O)C1O)CCCCCCCC=CCCCCC 530 True True False False False null null 70.6 100 null null null 870.61 YILU0372-neg-3 799.55615:48491 800.5595:32126 801.56286:6648 44.9976:1486 137.01205:61 235.07887:88 253.09293:111 255.19141:107 255.23123:1315 279.20132:154 279.23114:1619 281.22632:68 281.24933:62 491.32047:280 515.31671:271 517.33014:60 753.48492:184 753.54767:3149 799.36176:54 799.43848:136 799.55481:16916 799.71826:63 799.84674:66 799.9024:82 799.97028:62 800.01971:60 0 0 0 0 356525 354191 351875 363295 359097 374558 376071 370770 379876 345772 341115 348502 0 359923.541666667 360351.072916667 0 8190.62574329133 17087.3208911456 532 4.398 801.48303 w/o MS2:SMGDG O-9:0_24:4 [M-H]- ion correlated with 681; ion correlated with 753; ion correlated with 347 0.75 True 7.99 801.48279 C42H74O12S EtherSMGDG RAPOSBXDCJOUIM-UHFFFAOYSA-N O=C(OC(COCCCCCCCCC)COC1OC(CO)C(O)C(OS(=O)(=O)O)C1O)CCCCCCCCCCC=CCC=CCC=CCC=CCC 530 True True False False False null null 100 99.9 null null null 302.54 YILU0371-neg-1 801.48303:16110 802.48638:9805 803.48974:3113 801.21344:59 801.4823:13359 801.64349:65 801.76367:61 801.797:63 801.85968:71 0 0 0 0 105383 111921 106678 113909 112098 110436 103651 106232 104103 94878 101862 95647 0 110070.811197917 101062.216145833 0 3343.10510188163 4709.37694105765 533 6.374 801.55072 w/o MS2:PE-Cer 12:2;2O/32:6;O [M-H]- ion correlated with 598; ion correlated with 379; ion correlated with 823; adduct linked to 639_[M+CH3COO]- 0.188 False 9.1 801.55518 C46H79N2O7P PE_Cer ICFOBCZBKWNEQB-UHFFFAOYSA-N O=C(NC(COP(=O)(O)OCCN)C(O)C=CCCC=CCCC)CC(O)CCCCCCCCCCC=CCC=CCC=CCC=CCC=CCC=CCC 530 True True False False False null null 90.6 100 null null null 71.59 YILU0372-neg-2 801.55072:3813 802.55407:2151 803.55743:520 0 0 0 0 24279 23707 24340 25826 26809 26556 29553 29876 30277 25855 23661 22997 0 25252.8157552083 27036.76171875 0 1312.880215599 3286.6442561064 534 7.292 801.57312 w/o MS2:MGDG 15:0_18:1 [M+FA-H]- adduct linked to 560_[M+CH3COO]-; similar chromatogram in higher mz_788; similar chromatogram in higher mz_802; similar chromatogram in higher mz_775 0.75 True 10.36 801.57343 C42H78O10 MGDG UGGPEZKTYSLEBU-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCCC=CCCCCCCCC)COC1OC(CO)C(O)C(O)C1O)CCCCCCCCCCCCCC 530 True True False False False null null 65.2 100 null null null 230.01 YILU0370-neg-1 801.57312:12406 802.57647:8301 803.57983:1679 44.99778:416 255.23178:382 281.24905:367 491.31619:80 517.33813:111 755.51855:70 755.56525:834 801.36884:71 801.42804:61 801.57227:3924 801.65649:51 0 0 0 0 87025 84237 81915 87062 83404 81128 84299 82388 80263 78037 67723 70782 0 84128.5143229167 77248.7604166667 0 2507.31757077036 6608.68443041778 535 6.609 802.5603 w/o MS2:PC O-15:0_18:3;1O [M+FA-H]- adduct linked to 563_[M+Hac-H]- 0.188 False 8.54 802.56042 C41H78NO8P EtherOxPC HPGHQFOANOUVKG-UHFFFAOYSA-N O=C(OC(COCCCCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C)CCCCCCC(O)C=CCC=CCC=CCC 530 True True False False False null null 100 100 null null null 65.64 YILU0372-neg-3 802.5603:3523 803.56365:2211 804.56701:624 0 0 0 0 25762 25538 25632 26203 27090 24267 26465 28259 29325 23600 24937 24249 0 25748.7939453125 26139.0904947917 0 922.901952641106 2289.92605210482 536 4.828 803.49951 w/o MS2:SMGDG O-9:0_24:3 [M-H]- similar chromatogram in higher mz_590 0.75 True 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 99.8 99.9 null null null 514.08 YILU0372-neg-3 803.49951:27746 804.50286:14263 805.50622:4593 51.1615:68 225.00562:68 803.49921:18598 803.64026:94 803.70276:57 803.91699:117 0 0 0 0 180465 183584 179650 194199 192045 190980 189913 195371 196950 174041 172094 170314 0 186820.354166667 183113.690104167 0 6345.24504764895 12292.2804588508 537 7.101 804.57526 w/o MS2:PC O-15:0_18:2;1O [M-H]- ion correlated with 693; similar chromatogram in higher mz_821; similar chromatogram in higher mz_693 0.75 False 8.82 804.57599 C41H80NO8P EtherOxPC SOZFJTZIHKHTJM-UHFFFAOYSA-N O=C(OC(COCCCCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C)CCCCCCC(O)C=CCC=CCCCCC 530 True True False False False null null 99.7 100 null null null 249.37 YILU0370-neg-3 804.57526:13311 805.57861:7339 806.58197:5852 0 0 0 0 97842 96318 99711 96347 96963 89949 94261 93237 90748 78904 83202 79747 0 96188.48046875 86683.0520833333 0 3307.93170305759 6894.22301758175 538 5.02 805.51276 MGDG 34:6|MGDG 16:3_18:3 [M+CH3COO]- ion correlated with 444; similar chromatogram in higher mz_907; adduct linked to 520_[M+FA-H]- 0.75 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 90.5 73.3 100 4898.21 YILU0370-neg-2 805.51178:228079 806.51513:160243 807.51849:44587 59.01407:5272 71.01217:54 87.00705:52 89.02369:114 101.0236:104 113.02377:133 119.03503:117 143.03554:159 145.0504:120 148.95084:98 157.05254:136 161.04594:103 179.0573:192 235.08199:2394 249.11467:69 249.18661:68061 249.50748:57 249.59357:55 249.63904:85 249.66226:70 249.74449:66 249.75996:71 249.91151:59 250.03545:71 250.05737:50 250.18951:485 253.03877:52 253.09329:4313 254.09518:52 273.21899:52 277.11667:71 277.21802:95908 277.70312:57 277.72766:80 277.84537:52 277.89926:86 277.94241:68 277.97705:53 278.02377:74 278.15906:65 278.22128:913 278.25238:78 278.78156:52 301.17834:56 467.26395:143 485.27487:2490 486.23541:57 513.22614:127 513.30695:7819 514.29797:81 745.39703:71 745.48846:1751 746.49341:63 805.47852:50 805.50653:239 805.97693:96 70 0 0 0 1634346 1617528 1632018 1732517 1719841 1720646 1937981 1895431 1894242 1726784 1711492 1713044 17.5500392913818 1676149.4375 1813162.1875 35.1000785827637 53287.2479898304 106530.055243014 539 5.262 805.51489 w/o MS2:SMGDG O-9:0_24:2 [M-H2O-H]- adduct linked to 653_[M+FA-H]- 0.75 True 8.48 805.5141 C42H78O12S EtherSMGDG PXDYURRGNDSXSS-UHFFFAOYSA-N O=C(OC(COCCCCCCCCC)COC1OC(CO)C(O)C(OS(=O)(=O)O)C1O)CCCCCCCCCCCC=CCC=CCCCCCCC 530 True True False False False null null 99.9 99.9 null null null 353.67 YILU0372-neg-2 805.51489:18769 806.51824:11663 807.5216:4096 59.01324:79 101.02496:53 249.18457:237 251.20393:69 277.21692:492 513.30072:59 805.39581:170 805.51343:13938 805.64508:80 805.70099:77 805.98596:96 0 0 0 0 120480 120962 124558 127985 132924 135131 124870 129705 135829 124665 116399 123384 0 127006.76171875 125808.727864583 0 6117.55955095185 6514.52373345253 540 5.498 807.52795 MGDG 34:5|MGDG 16:2_18:3 [M+CH3COO]- similar chromatogram in higher mz_909 0.75 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 77.5 75 100 4825.16 YILU0371-neg-1 807.5274:275648 808.53075:166164 809.53411:45659 59.01427:7840 71.01278:74 73.03051:75 89.01621:51 89.02561:114 101.02469:127 113.02425:187 145.05031:142 161.04558:310 179.05782:87 234.92805:65 235.05522:62 235.08209:2852 249.18623:12200 250.1891:66 251.20233:61254 251.69261:96 251.72028:90 251.88634:62 252.20476:418 253.09344:4170 277.21826:78858 277.61716:68 277.6716:52 277.72897:62 277.80927:71 278.02032:66 278.22116:673 279.23303:17414 279.38751:69 280.21854:74 280.23621:175 319.23038:51 441.28055:56 469.27991:271 485.22961:51 485.2749:729 487.29095:2200 488.29453:75 495.297:56 513.1922:62 513.2533:288 513.30725:7464 515.32196:1794 516.32501:81 647.16608:56 747.50562:3047 807.52612:281 314 0 0 0 2108139 2101246 2089086 2198311 2209639 2206675 2387164 2385435 2405541 2109979 2081141 2127644 78.5697174072266 2152182.6875 2249483.97916667 157.139434814453 58161.7837845302 157758.385330076 541 7.969 807.59186 w/o MS2:PA 16:0_28:4 [M-H]- ion correlated with 551; ion correlated with 399 0.75 False 12.79 807.59088 C47H85O8P PA MIHWVGRGTVNSEB-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCCCCCCCCCC=CCC=CCC=CCC=CCC)COP(=O)(O)O)CCCCCCCCCCCCCCC 530 True True False False False null null 99.5 99.9 null null null 74.81 YILU0370-neg-3 807.59186:5752 808.59521:2726 809.59857:927 512 0 0 0 65974 63333 68998 66691 65593 64290 62065 58948 58022 52793 48752 47055 128.002075195313 65813.0852864583 54605.728515625 256.004150390625 1972.57350238951 6012.36391835284 542 8.121 808.6275 w/o MS2:CL 12:0_15:0_28:0_28:0 [M+FA-H]- ion correlated with 278; ion correlated with 842; ion correlated with 523; adduct linked to 575_[M+Hac-H]- 0.125 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 64.66 YILU0370-neg-3 808.6275:3362 809.63085:1507 810.63421:748 0 0 0 0 18269 19603 19906 21815 20762 20382 20353 17753 18786 19917 18642 16154 0 20122.8444010417 18600.9446614583 0 1191.03000847555 1519.64543371934 543 5.967 809.5434 MGDG 34:4|MGDG 16:2_18:2 [M+CH3COO]- adduct linked to 524_[M+FA-H]-; adduct linked to 875_[2M-H]- 0.75 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 100 100 90.5 74 100 4934.83 YILU0372-neg-1 809.54358:256256 810.54693:159717 811.55029:46515 59.0141:6477 71.01277:67 73.03019:63 89.02411:252 113.0244:126 141.17303:56 143.03484:69 145.05009:215 161.04541:253 179.05733:189 235.08189:1741 249.1852:139 251.05766:51 251.2019:64907 251.52261:81 251.60068:70 251.64455:67 251.67062:75 251.72031:81 252.20473:470 253.0929:4242 253.17329:68 253.21645:2785 254.09489:84 277.21585:2769 277.34055:61 279.23315:90355 279.77393:55 279.87326:69 279.94354:61 279.98618:50 280.23639:833 281.24521:130 469.28:242 487.19165:80 487.28961:3529 489.30896:259 497.30737:124 513.30444:267 515.19525:59 515.32117:8983 516.32343:113 749.51965:3877 750.52167:59 809.53333:206 0 0 0 0 1919982 1920550 1916716 1989972 1993624 1989384 2065926 2079762 2101778 1964191 1923043 1972724 0 1955037.95833333 2017903.9375 0 39435.6915806978 73610.1859295705 544 9.399 809.64661 w/o MS2:PE-Cer 13:1;2O/32:2 [M+Hac-H]- ion correlated with 165; ion correlated with 459; adduct linked to 459_[M-H]- 0.75 True 12.89 809.65417 C47H91N2O6P PE_Cer ZYEUSJBTKBXZRN-UHFFFAOYSA-N O=C(NC(COP(=O)(O)OCCN)C(O)C=CCCCCCCCC)CCCCCCCCCCCCCCCCCCCC=CCC=CCCCCCCC 530 True True False False False null null 89.7 99.9 null null null 1384.86 YILU0372-neg-1 809.64661:74174 810.64996:61760 811.65332:17825 59.01398:16416 59.05113:54 149.05984:207 322.5571:52 749.46075:80 749.51398:233 749.62329:25413 749.92291:51 750.00006:90 750.04364:84 750.12201:77 750.15906:55 750.58124:59 750.62952:695 750.77325:79 751.19159:58 763.61902:52 809.6026:126 809.63934:881 0 0 0 0 510607 494175 495377 509245 503448 497872 514638 505236 496215 435662 417518 427472 0 501787.296875 466123.541666667 0 7078.36093212611 43756.7976662746 545 8.59 810.54626 w/o MS2:PE O-15:3_28:7 [M-H]- similar chromatogram in higher mz_615 0.125 False 10.15 810.54431 C48H78NO7P EtherPE PGBJNCHEISKVJZ-UHFFFAOYSA-N O=C(OC(COCCCCCC=CCC=CCC=CCC)COP(=O)(O)OCCN)CCCCCC=CCC=CCC=CCC=CCC=CCC=CCC=CCC 530 True True False False False null null 98.1 100 null null null 70.2 YILU0371-neg-3 810.54626:3656 811.54961:1308 812.55297:411 0 0 0 0 21315 21370 35811 21057 19585 37339 23965 22360 18824 17679 19717 17480 0 26079.4417317708 20004.0647786458 0 8170.11854882128 2626.32924065827 546 8.362 810.64301 w/o MS2:HexCer 17:0;2O/24:2;O [M-H2O-H]- adduct linked to 586_[M-H]- 0.75 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 94.1 100 null null null 96.85 YILU0370-neg-1 810.64301:5416 811.64636:3228 812.64972:835 0 0 0 0 36966 35775 33994 36246 36534 33169 31405 31529 27270 32291 29511 32516 0 35447.5260416667 30753.6227213542 0 1519.09977107147 2008.7673394002 547 8.571 810.64441 w/o MS2:HexCer 17:0;2O/24:2;O [M+FA-H]- adduct linked to 577_[M+Hac-H]- 0.75 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 97.9 100 null null null 132.86 YILU0370-neg-1 810.64441:8964 811.64776:4771 812.65112:1080 251 0 0 0 70802 69786 69392 62948 61668 64035 54858 52483 51385 60136 55132 58054 62.7059211730957 66438.3111979167 55341.3450520833 125.411842346191 3992.03144055117 3300.09327377158 548 3.748 811.46735 w/o MS2:SMGDG O-8:0_26:6 [M-H]- ion correlated with 148 0.75 True 7.78 811.46722 C43H72O12S EtherSMGDG WGMZUYNUOVRUMH-UHFFFAOYSA-N O=C(OC(COCCCCCCCC)COC1OC(CO)C(O)C(OS(=O)(=O)O)C1O)CCCCCCC=CCC=CCC=CCC=CCC=CCC=CCC 530 True True False False False null null 100 99.9 null null null 324.13 YILU0371-neg-3 811.46735:18172 812.4707:10579 813.47406:3100 158.97414:86 811.25153:74 811.46747:13643 811.57684:93 811.69794:56 0 0 0 0 111107 106380 108859 115005 119365 118767 108209 103653 105442 97339 105512 94714 0 113247.076822917 102478.220052083 0 5328.85003456233 5270.79640490212 549 6.465 811.55908 MGDG 34:3|MGDG 16:0_18:3 [M+CH3COO]- adduct linked to 461_[M-H]-; adduct linked to 528_[M+FA-H]-; adduct linked to 876_[2M-H]- 0.75 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 100 100 88.4 75.6 100 5373.75 YILU0370-neg-1 811.56012:269895 812.56347:185361 813.56683:54075 59.0142:8014 70.85272:71 71.01358:168 89.02339:159 113.02267:144 119.03521:137 129.01515:82 143.0345:82 145.05006:216 157.0495:87 161.04491:391 179.03081:50 179.05586:175 219.05217:70 235.08212:2846 251.14018:78 251.17529:66 251.20123:2318 253.09282:3682 253.21693:2421 254.09489:52 254.94968:67 255.14037:78 255.23334:78377 255.59172:51 255.72203:51 255.80653:51 255.84016:77 255.98882:71 256.16461:70 256.21429:120 256.23651:774 277.21793:70421 277.6951:72 277.76099:82 277.82007:52 277.8573:67 277.9512:78 278.1011:61 278.22092:597 278.57962:58 279.23224:3799 281.24777:2788 282.25305:76 291.23502:129 403.91895:53 473.30887:84 487.28641:109 489.30453:216 491.20667:84 491.3223:9940 492.32446:105 495.29672:287 513.19006:62 513.30676:4644 514.30994:91 515.32306:376 517.33691:483 751.41376:61 751.53607:6183 752.53998:58 811.55243:296 0 0 0 0 2198675 2210409 2189995 2243269 2244213 2247205 2342167 2303691 2327340 2083960 2033955 2083409 0 2222294.375 2195753.70833333 0 25625.2790929923 142618.40100752 550 6.74 811.61987 PC 15:0_18:1(d7) [M+CH3COO]- 0.625 True 11.31 811.61987 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 True False null null 88.3 99.9 58.3 62.1 100 170.68 YILU0373-neg-2 811.61987:12798 812.62322:9668 813.62658:2214 44.99749:86 59.01389:610 111.04564:60 116.92937:59 151.04266:50 168.0444:165 224.06956:161 241.21716:2283 253.21442:102 255.23393:254 265.21881:51 267.23193:59 277.21576:152 279.2261:65 281.24454:72 287.28339:102 288.29227:7327 289.29657:104 448.28357:108 466.29074:170 495.3598:52 513.36743:58 737.58179:514 793.57574:80 811.58588:52 0 0 0 0 80228 78326 73623 78994 80443 78906 62315 61942 65159 91839 99188 89649 0 78420.1575520833 78348.5455729167 0 2488.00220462133 16995.2144416521 551 7.927 811.62488 w/o MS2:PA 16:0_28:2 [M+FA-H]- ion correlated with 581; ion correlated with 384; ion correlated with 541; adduct linked to 489_[M-H]-; similar chromatogram in higher mz_900 0.688 False 13.25 811.62219 C47H89O8P PA FICJHDYGVZYFBN-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCCCCCCCCCCC=CCC=CCCCCCCC)COP(=O)(O)O)CCCCCCCCCCCCCCC 530 True True False False False null null 96.5 99.9 null null null 86.68 YILU0372-neg-2 811.62488:4859 812.62823:3673 813.63159:991 0 0 0 0 39420 37154 38084 38314 37185 38268 38832 40023 40338 31184 32930 34169 0 38070.767578125 36245.9583333333 0 841.744838287054 3965.68594433527 552 8.218 812.6228 w/o MS2:SL 14:1;O/36:6 [M+Hac-H]- ion correlated with 583; adduct linked to 425_[M-H2O-H]- 0.75 False 13.15 812.62323 C50H87NO5S SL NLCNPUJJGMHBGW-UHFFFAOYSA-N O=C(N(CC(O)C=CCCCCCCCCC)CS(=O)(=O)O)CCCCCCCCCCCCCCCCC=CCC=CCC=CCC=CCC=CCC=CCC 530 True True False False False null null 99.9 99.9 null null null 87.51 YILU0370-neg-1 812.6228:5012 813.62615:2187 814.62951:875 0 0 0 0 40921 38724 39453 40960 39186 39365 32706 33251 33545 33888 37684 32036 0 39768.2415364583 33851.6298828125 0 942.583728891265 1987.64908307072 553 4.193 813.48383 SQDG 34:4 [M-H]- 0.75 True 7.86 813.48279 C43H74O12S SQDG VYADXWQWAQPEFC-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCCC=CCC=CCCCC)COC1OC(CS(=O)(=O)O)C(O)C(O)C1O)CCCCCCCC=CCC=CCCCC 420 True True True False False null null 96.5 99.9 93.1 86.1 100 444.39 YILU0370-neg-2 813.48352:21488 814.48687:14170 815.49023:4208 80.96556:160 225.00572:212 291.19354:66 813.26709:53 813.30988:62 813.48242:14957 813.58734:131 813.70013:77 813.73932:102 813.83899:66 813.96039:60 0 0 0 0 165118 161186 160681 174199 175264 174636 167181 166966 173551 154856 166919 151495 0 168514.09375 163494.583333333 0 6956.28290959758 8451.17259017889 554 6.472 813.56281 w/o MS2:PG 7:0_32:3 [M-H]- 0.062 False 9.23 813.56512 C45H83O10P PG GEJWPLJHYYMLJD-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCCCCCCCCCCCC=CCC=CCC=CCCCCCCC)COP(=O)(O)OCC(O)CO)CCCCCC 530 True True False False False null null 97.3 100 null null null 776.23 YILU0371-neg-1 813.56281:38811 814.56616:13492 815.56952:0 0 0 0 0 297898 290731 284302 302915 302032 295615 307995 308358 309080 278213 260416 271273 0 295582.036458333 289222.2578125 0 7092.41970214769 21845.4904568152 555 6.885 813.57141 MGDG 34:2|MGDG 16:0_18:2 [M+CH3COO]- adduct linked to 531_[M+FA-H]-; adduct linked to 465_[M-H]-; adduct linked to 877_[2M-H]- 0.75 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 100 100 91.4 76.1 100 3246.3 YILU0372-neg-2 813.57397:167407 814.57732:100312 815.58068:29373 57.03505:65 59.01378:4448 71.01466:63 85.02905:55 89.0238:144 91.03903:81 119.03324:104 125.02307:53 145.04999:128 157.05032:56 161.04546:175 179.05379:156 235.08115:2642 253.05573:114 253.0919:1946 253.1696:65 253.21736:1312 255.23257:50226 255.48474:91 255.68211:54 255.70831:74 256.23373:219 259.70993:63 279.23248:52645 279.54156:94 279.90854:79 280.21127:64 280.23373:388 281.24823:1995 283.26181:94 293.24841:52 367.35611:119 473.3139:74 489.30008:118 491.22189:54 491.32065:6533 492.32761:84 497.31039:164 515.22595:56 515.26947:196 515.32007:3848 517.33392:164 739.59033:111 753.47156:150 753.54938:5743 753.63245:65 754.54736:64 813.57391:240 0 0 0 0 1229334 1227150 1241159 1272467 1267802 1259012 1280513 1291517 1276063 1171305 1121120 1160293 0 1249487.0625 1216801.91666667 0 19640.2317483702 74258.3577579683 556 6.146 814.56067 PC 34:3|PC 16:0_18:3 [M+CH3COO]- ion correlated with 803; similar chromatogram in higher mz_624 0.75 True 8.93 814.56042 C42H78NO8P PC JMAYDGBZRHQJAT-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCCC=CCC=CCC=CCC)COP(=O)([O-])OCC[N+](C)(C)C)CCCCCCCCCCCCCCC 410 True True True False False null null 100 100 89.3 86.3 100 286.02 YILU0372-neg-3 814.56079:15930 815.56414:8944 816.5675:2107 59.01231:141 255.23262:426 277.18066:111 277.21674:1057 480.30603:207 484.27927:58 740.52258:6767 740.63428:70 741.52435:126 755.48828:52 814.51678:114 814.55975:585 0 0 0 0 114094 114496 113902 111995 113797 117109 129259 129090 127486 111478 101139 104810 0 114232.216145833 117210.291666667 0 1653.40476376284 12936.5519488675 557 8.133 814.58643 w/o MS2:HexCer 16:1;2O/26:6;O [M-H]- 0.75 False 9.41 814.58392 C48H81NO9 HexCer_HS UNQNYGSGBODVND-UHFFFAOYSA-N O=C(NC(COC1OC(CO)C(O)C(O)C1O)C(O)C=CCCCCCCCCCCC)C(O)CCCCCC=CCC=CCC=CCC=CCC=CCC=CCC 530 True True False False False null null 96.9 100 null null null 88.98 YILU0370-neg-2 814.58643:4772 815.58978:3664 816.59314:1013 0 0 0 0 33061 33111 31537 33272 32553 32798 29783 30775 27907 30269 28708 29254 0 32721.9986979167 29449.390625 0 633.515777524697 1049.55038706302 558 7.118 814.6073 w/o MS2:SL 13:2;O/36:5;O [M+FA-H]- ion correlated with 587; ion correlated with 403; adduct linked to 493_[M-H]-; adduct linked to 587_[M+Hac-H]- 0.75 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 99.9 null null null 877.63 YILU0372-neg-2 814.6073:46401 815.61065:27140 816.61401:6440 59.01254:140 71.01292:113 89.02496:67 158.97403:67 161.04927:56 588.53271:101 606.54553:51 754.55658:74 768.4483:122 768.50745:389 768.60089:24485 768.8866:54 768.9574:64 769.02856:55 769.4494:57 769.4873:81 769.60461:517 814.60461:2054 0 0 0 0 312203 316030 310973 331256 333965 320806 329595 332746 330798 294402 257501 290604 0 320872.036458333 305941.1015625 0 9755.35350202039 30366.8621360106 559 4.696 815.50128 w/o MS2:SMGDG O-8:0_26:4 [M-H]- adduct linked to 894_[2M-H]-; found in higher mz's MsMs_894 0.75 True 8.05 815.49847 C43H76O12S EtherSMGDG RBHBWDBUCHPUKL-UHFFFAOYSA-N O=C(OC(COCCCCCCCC)COC1OC(CO)C(O)C(OS(=O)(=O)O)C1O)CCCCCCCCCCCCC=CCC=CCC=CCC=CCC 530 True True False False False null null 98.5 99.9 null null null 12448.99 YILU0373-neg-3 815.50128:636558 816.50463:401805 817.50799:144265 44.99769:55 79.95665:90 80.9655:442 94.98074:200 98.98637:55 106.97993:78 125.02353:110 134.97375:63 148.99071:95 152.98671:180 162.35921:51 164.98523:358 189.49895:74 225.00642:827 255.23067:63 277.22134:59 537.27118:206 559.25635:164 810.09692:59 810.38495:67 810.40656:53 810.48474:60 810.57233:61 810.67596:59 810.71417:74 810.85754:68 810.8905:67 814.87292:53 814.94348:67 815.00537:59 815.10321:85 815.18805:136 815.50024:435118 304 210 0 0 5464366 5536357 5546304 5630301 5585168 5629466 5675432 5610018 5594848 5292720 5326937 5331984 128.474815368652 5565327 5471989.5 153.309697866134 63440.2967017021 172229.049734648 560 7.292 815.58929 MGDG 34:1|MGDG 16:0_18:1 [M+CH3COO]- ion correlated with 363; adduct linked to 534_[M+FA-H]- 0.75 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 94 78.8 100 654.39 YILU0372-neg-3 815.58936:34129 816.59271:23079 817.59607:5859 44.99789:58 59.01413:960 73.02727:70 89.02636:54 235.08115:357 253.0921:380 255.17456:55 255.23239:8827 281.1954:80 281.24814:10711 282.25302:65 473.30811:69 491.32031:697 499.32196:100 517.29999:125 517.33691:970 755.56689:1129 769.60242:107 815.5871:99 0 0 0 0 235542 234582 232302 239080 241002 232709 247690 237292 239841 213995 202717 203140 0 235869.479166667 224112.583333333 0 3496.38508007772 19884.3942368499 561 5.311 816.5163 w/o MS2:PC O-15:4_21:5 [M-H]- 0.375 False 8.1 816.51849 C44H72NO7P EtherPC SPVMXFFZGMSUSV-UHFFFAOYSA-N O=C(OC(COCCC=CCC=CCC=CCC=CCC)COP(=O)([O-])OCC[N+](C)(C)C)CCCCC=CCC=CCC=CCC=CCC=CCC 530 True True False False False null null 97.6 100 null null null 83.39 YILU0372-neg-3 816.5163:4975 817.51965:7632 818.52301:2879 0 0 0 0 17125 14930 15494 12294 13847 13150 29991 33001 34504 25516 28093 25659 0 14473.3899739583 29460.5286458333 0 1742.19045870856 3744.98937350298 562 6.929 816.54633 PC 33:3;O|PC 18:2_15:1;O [M+CH3COO]- 0.5 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 93.6 100 49.9 43.2 100 154.95 YILU0372-neg-2 816.5481:7831 817.55145:3672 818.55481:1140 59.01414:288 168.04395:69 255.23302:1230 279.23227:4207 303.23248:52 480.30792:117 742.53516:261 0 0 0 0 95153 94349 95902 93877 94570 96124 86613 84207 92452 75116 84322 80196 0 94996.0729166667 83817.77734375 0 891.211085773693 5858.3531802912 563 6.603 816.57672 w/o MS2:PC 16:0_18:2 [M+Hac-H]- ion correlated with 789; ion correlated with 240; ion correlated with 645; similar chromatogram in higher mz_827; adduct linked to 535_[M+FA-H]- 0.75 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 530 True True False False False null null 69.3 100 null null null 275.6 YILU0372-neg-2 816.57672:15330 817.58007:7994 818.58343:2255 59.01414:288 168.04395:69 255.23302:1230 279.23227:4207 303.23248:52 480.30792:117 742.53516:261 0 0 0 0 110683 109114 109636 111524 116435 107356 117558 121878 120639 103457 100291 103033 0 110791.391927083 111142.77734375 0 3109.59772352608 9891.0313708836 564 5.108 817.51691 w/o MS2:SMGDG O-8:0_26:3 [M-H]- adduct linked to 896_[2M-H]-; found in higher mz's MsMs_896; found in higher mz's MsMs_888 0.75 True 8.23 817.5141 C43H78O12S EtherSMGDG CBGNBVQCTOAJMO-UHFFFAOYSA-N O=C(OC(COCCCCCCCC)COC1OC(CO)C(O)C(OS(=O)(=O)O)C1O)CCCCCCCCCCC=CCC=CCC=CCCCCCCC 530 True True False False False null null 98.5 100 null null null 11103.4 YILU0371-neg-3 817.51691:612912 818.52026:374329 819.52362:137039 73.02734:100 78.98491:81 80.96553:369 94.98174:159 134.97368:51 152.98521:61 164.98624:189 206.99471:84 225.0074:672 537.26758:69 555.27875:51 561.27887:125 812.37665:54 812.47278:56 812.59479:66 812.70807:79 812.95331:55 812.97699:77 815.05493:61 815.84424:62 816.02203:55 816.20905:67 816.2583:79 816.72595:65 817.04919:55 817.14392:105 817.51636:429428 188 111 0 0 5107259 5084364 5063334 5109732 5118622 5134170 4967832 5084955 5105032 4907446 4879148 4892900 74.7376880645752 5102913.75 4972885.16666667 91.8791541473878 25296.918932451 99513.4588363135 565 9.459 818.59192 w/o MS2:PC O-16:0_18:2;1O [M-H]- ion correlated with 391 0.75 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 100 100 null null null 135.86 YILU0372-neg-2 818.59192:7809 819.59527:0 820.59863:0 0 0 0 0 54228 54155 52447 58626 55761 52618 59375 60037 55626 45927 41803 42668 0 54639.0514322917 50906.078125 0 2299.81326773932 8400.9776217204 566 7.075 818.59265 w/o MS2:PC O-16:0_18:2;1O [M-H]- ion correlated with 683 0.75 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 99.5 100 null null null 111.08 YILU0372-neg-3 818.59265:6217 819.596:3719 820.59936:927 0 0 0 0 52337 49218 50948 52343 51380 51733 53586 56142 57821 44929 44058 47314 0 51326.55078125 50641.6015625 0 1167.13151478693 5958.41860226156 567 5.573 819.53168 w/o MS2:SMGDG O-8:0_26:2 [M-H]- 0.75 True 8.55 819.52979 C43H80O12S EtherSMGDG HWRTYONMPTZHAN-UHFFFAOYSA-N O=C(OC(COCCCCCCCC)COC1OC(CO)C(O)C(OS(=O)(=O)O)C1O)CCCCCCCCCCCCCC=CCC=CCCCCCCC 530 True True False False False null null 99.3 100 null null null 3578.52 YILU0372-neg-1 819.53168:188246 820.53503:104304 821.53839:33817 44.99799:97 148.99266:53 164.98482:60 225.00653:194 277.21503:324 319.22641:60 773.51959:129 819.24408:52 819.31128:263 819.53058:110712 0 0 0 0 1585876 1568235 1575182 1581967 1573765 1574853 1622888 1584019 1583364 1451538 1456868 1447678 0 1576646.14583333 1524392.39583333 0 6291.41705292648 80606.2793806807 568 9.682 819.63855 RIKEN N-VS1 ID-6358 from Mouse_Macrophage_WT_N_F1EPA [M-H]- 0.312 True 13.45 819.64532 Unknown 430 True True True False False null null 85.3 99.9 76.9 78.2 100 292.09 PostRun1 819.63928:19054 820.64263:12072 821.64599:4113 627.39716:80 627.52124:9371 628.10229:64 628.17084:52 628.52338:204 682.87817:61 729.56573:56 741.61121:131 759.61646:980 760.6239:53 819.58264:539 834618 900629 766975 807032 914230 917634 911384 382924 939245 342325 906533 914690 321832 278167 880703 974716 827313.8125 734623.682291667 712773.317708333 56215.4398156705 288602.232449491 321510.603866373 569 8.579 820.60944 w/o MS2:Cer 13:0;2O/16:4;(3OH)(FA 20:5) [M-H]- ion correlated with 494 0.25 False 11.46 820.60968 C49H79NO5 Cer_EBDS SOKKQOZATIYBQF-UHFFFAOYSA-N O=C(OC(C=CCC=CCC=CCC=CCC)CC(=O)NC(CO)C(O)CCCCCCCCCC)CCCC=CCC=CCC=CCC=CCC=CCC 530 True True False False False null null 100 100 null null null 75.54 YILU0372-neg-3 820.60944:5009 821.61279:3853 822.61615:0 0 0 0 0 33830 29697 28422 35038 31775 29734 32663 35238 37707 27545 27190 24296 0 31416.1015625 30773.1220703125 0 2600.87404054664 5230.78942699231 570 9.599 820.64124 w/o MS2:PE O-24:0_16:0;2O [M-H]- 0.188 False 12.02 820.64368 C45H92NO9P EtherOxPE BRONBPXJEQUXHM-UHFFFAOYSA-N O=C(OC(COCCCCCCCCCCCCCCCCCCCCCCCC)COP(=O)(O)OCCN)CCCCCCC(O)CCCCCCCCO 530 True True False False False null null 97.1 100 null null null 130.79 YILU0373-neg-3 820.64124:13694 821.64459:4923 822.64795:1641 385016 502224 446061 55013 359582 517933 340044 518568 530462 391849 517511 524472 523120 388178 252121 294057 347078.600585938 443073.041666667 416576.721354167 200506.919055258 88487.1801437543 123323.731656173 571 9.665 820.6413 w/o MS2:PE O-24:0_16:0;2O [M-H]- 0.125 False 12.02 820.64368 C45H92NO9P EtherOxPE BRONBPXJEQUXHM-UHFFFAOYSA-N O=C(OC(COCCCCCCCCCCCCCCCCCCCCCCCC)COP(=O)(O)OCCN)CCCCCCC(O)CCCCCCCCO 530 True True False False False null null 97.2 100 null null null 223.87 YILU0370-neg-2 820.6413:13381 821.64465:6328 822.64801:1745 385016 498358 446048 459298 175064 517933 190846 518568 530462 166033 517511 524472 523120 161018 299220 294057 447179.90625 349817.765625 386566.489583333 47016.5398108214 189187.295890291 156122.162376777 572 6.074 821.54297 w/o MS2:MGDG 13:0_22:5 [M+FA-H]- adduct linked to 595_[M+CH3COO]- 0.75 True 8.92 821.54211 C44H74O10 MGDG UTOAGFXPMKEKLY-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCC=CCC=CCC=CCC=CCC=CCC)COC1OC(CO)C(O)C(O)C1O)CCCCCCCCCCCC 530 True True False False False null null 99.9 100 null null null 2296.3 YILU0372-neg-3 821.54297:121564 822.54632:73937 823.54968:20124 44.99782:3419 45.01424:50 46.00199:60 145.04916:57 235.08183:278 253.0927:148 277.21671:5054 279.18631:72 279.23254:4579 280.23334:104 384.69214:69 495.29044:114 513.27667:113 513.3064:884 515.29053:92 515.32202:795 775.53534:6248 776.28418:55 776.53979:125 821.32098:78 821.54254:44272 821.96173:97 821.9928:50 0 0 0 0 863968 843738 860626 881918 883315 888053 915968 920887 942868 854216 850786 840642 0 870269.53125 887560.979166667 0 17080.8450110583 43913.8684059608 573 9.715 821.63953 w/o MS2:SM 37:0;3O [M-H]- 0.062 False 9.96 821.63892 C42H87N2O7P SM WMLVOGBFWOUEQG-UHFFFAOYSA-N O=C(NC(COP(=O)([O-])OCC[N+](C)(C)C)C(O)C(O)CCCCCCCC)CCCCCCCCCCCCCCCCCCCCCCCC 530 True True False False False null null 99.8 100 null null null 17.56 YILU0373-neg-2 821.63953:5155 822.64288:1960 823.64624:667 68085 183982 61072 177703 72127 206415 72065 111049 63514 206769 56638 93322 24066 52537 218021 81788 122710.293945313 121989.901692708 87728.3463541667 67235.0128268041 67576.5042835377 68265.1391930367 574 9.581 821.64038 w/o MS2:SM 37:0;3O [M-H]- 0.062 False 9.96 821.63892 C42H87N2O7P SM WMLVOGBFWOUEQG-UHFFFAOYSA-N O=C(NC(COP(=O)([O-])OCC[N+](C)(C)C)C(O)C(O)CCCCCCCC)CCCCCCCCCCCCCCCCCCCCCCCC 530 True True False False False null null 98.9 100 null null null 11.6 YILU0372-neg-3 821.64038:5531 822.64373:1732 823.64709:0 48490 183982 67980 177703 140934 206415 72065 111049 57189 206769 55861 137349 208529 109647 26730 112187 119538.579101563 132403.56640625 108383.852864583 71279.3621773262 64551.7236676713 63734.093181429 575 8.127 822.64374 w/o MS2:CL 12:0_17:0_28:0_28:0 [M+Hac-H]- ion correlated with 578; ion correlated with 388; adduct linked to 542_[M+FA-H]- 0.75 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 99.8 99.8 null null null 123.18 YILU0370-neg-3 822.64374:6878 823.64709:3265 824.65045:8145 254 0 0 0 43989 45009 46070 46013 43907 45795 44748 44299 40132 43912 41189 40121 63.4737815856934 45130.4088541667 42400.3854166667 126.947563171387 991.84850116923 2154.68573092644 576 6.517 823.55615 w/o MS2:CL 15:1_22:6_28:0_22:6 [M+FA-H]- adduct linked to 600_[M+CH3COO]-; similar chromatogram in higher mz_667; similar chromatogram in higher mz_690 0.75 True 13.65 823.55713 C96H162O17P2 CL IGZSCSLWHNGOOT-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCCC=CCCCCC)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 99.8 99.7 null null null 1107.98 YILU0372-neg-3 823.55615:65177 824.5595:41997 825.56286:11285 44.99767:2210 89.02266:63 235.07832:136 251.19966:55 253.08804:63 277.21548:1123 279.18439:62 279.23203:2427 280.23123:88 281.24707:1208 303.23145:71 495.23511:51 513.3064:130 515.31946:241 517.33594:163 777.47369:139 777.5473:3266 778.5553:160 823.33136:103 823.55505:23512 823.8562:51 824.04047:64 0 0 0 0 500464 482524 483062 503556 495589 483563 524751 517618 530442 454007 460282 466562 0 491459.583333333 492277.020833333 0 9562.42537588666 35504.3611237346 577 8.571 824.65997 w/o MS2:RIKEN N-VS1 ID-6447 from Mouse_Feces_WT_N_Ctr [M+Hac-H]- adduct linked to 547_[M+FA-H]- 0.75 False 13.07 824.66052 Unknown 530 True True False False False null null 99.8 99.9 null null null 428.66 YILU0370-neg-1 824.65997:24622 825.66332:14566 826.66668:2953 0 0 0 0 186532 181254 183372 166558 170099 172195 140745 145399 141312 163558 153992 157842 0 176668.375 150474.888020833 0 8107.1903903384 9404.38958359244 578 8.109 824.66052 w/o MS2:RIKEN N-VS1 ID-6447 from Mouse_Feces_WT_N_Ctr [M-H]- ion correlated with 575; ion correlated with 388 0.75 False 13.07 824.66052 Unknown 530 True True False False False null null 100 99.9 null null null 123.56 YILU0372-neg-2 824.66052:6700 825.66387:5118 826.66723:1126 0 0 0 0 42514 41536 39894 43790 40845 38723 44658 45945 44743 38006 37994 37923 0 41217.2115885417 41544.7415364583 0 1817.15789584256 3937.9062715716 579 6.25 825.55273 w/o MS2:PG 18:0_18:0;3O [M-H]- ion correlated with 383; adduct linked to 662_[M+CH3COO]- 0.125 False 8.31 825.54993 C42H83O13P OxPG ILHYTNDNTLBGFB-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCC(O)CCC(O)CCCC(O)CCCCCC)COP(=O)(O)OCC(O)CO)CCCCCCCCCCCCCCCCC 530 True True False False False null null 96.1 100 null null null 65.35 YILU0372-neg-1 825.55273:3775 826.55608:2486 827.55944:816 0 0 0 0 21540 20370 20509 21552 22290 22607 27763 26911 25031 22070 22199 20380 0 21477.8626302083 24058.9710286458 0 906.717064197671 2957.74664893314 580 6.931 825.57343 w/o MS2:MGDG 18:1_17:2 [M+FA-H]- adduct linked to 604_[M+CH3COO]- 0.75 True 9.73 825.57343 C44H78O10 MGDG WCWHRBNUMRWOMA-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCCC=CCC=CCCCC)COC1OC(CO)C(O)C(O)C1O)CCCCCCCC=CCCCCCCCC 530 True True False False False null null 70.7 100 null null null 379.07 YILU0372-neg-2 825.57343:20659 826.57678:12873 827.58014:3156 44.99765:485 235.08508:109 279.23157:603 281.24704:657 515.31915:66 517.33264:152 765.53833:52 779.56549:817 825.43042:100 825.57159:5869 825.88062:50 0 0 0 0 173819 172705 172795 180781 182598 176790 181921 187764 183704 153422 154367 155824 0 176581.375 169500.2890625 0 4263.28183623095 16517.6534988207 581 7.9 826.58618 w/o MS2:HexCer 17:2;2O/26:6;O [M-H]- 0.688 False 9.44 826.58392 C49H81NO9 HexCer_HS QQBWQAFGEJYNJR-UHFFFAOYSA-N O=C(NC(COC1OC(CO)C(O)C(O)C1O)C(O)C=CCCC=CCCCCCCCC)C(O)CCCCCC=CCC=CCC=CCC=CCC=CCC=CCC 530 True True False False False null null 97.5 100 null null null 102.61 YILU0370-neg-1 826.58618:5767 827.58953:4846 828.59289:1717 0 0 0 0 37259 36180 36580 35347 35576 33372 36681 33261 32783 33230 30324 29246 0 35719.0026041667 32587.3942057292 0 1341.05272372964 2605.85520022913 582 8.795 826.62354 w/o MS2:HexCer 16:1;2O/28:6 [M-H]- ion correlated with 601 0.75 False 10.87 826.62018 C50H85NO8 HexCer_NS NSQOYPSGRHSFOS-UHFFFAOYSA-N O=C(NC(COC1OC(CO)C(O)C(O)C1O)C(O)C=CCCCCCCCCCCC)CCCCCCCCC=CCC=CCC=CCC=CCC=CCC=CCC 530 True True False False False null null 94.5 100 null null null 207.6 YILU0372-neg-1 826.62354:11379 827.62689:8716 828.63025:2840 642 0 0 0 88486 82823 84747 83937 85795 80464 90965 87878 86456 81345 79523 73550 160.530044555664 84375.4869791667 83286.3411458333 321.060089111328 2718.40101333997 6368.86137444528 583 8.211 826.63879 w/o MS2:SL 15:1;O/36:6 [M-H]- ion correlated with 613; ion correlated with 552 0.688 False 13.31 826.63892 C51H89NO5S SL HJFCOIMBKXMSDF-UHFFFAOYSA-N O=C(N(CC(O)C=CCCCCCCCCCC)CS(=O)(=O)O)CCCCCCCCCCCCCCCCC=CCC=CCC=CCC=CCC=CCC=CCC 530 True True False False False null null 100 99.9 null null null 75.54 YILU0370-neg-1 826.63879:4636 827.64214:2924 828.6455:1056 0 0 0 0 33866 31129 32093 29848 31078 30855 22745 23289 23832 26106 26912 25023 0 31478.3492838542 24651.0081380208 0 1371.83103378294 1644.99260970681 584 4.462 827.49805 w/o MS2:SMGDG O-9:0_26:5 [M-H]- ion correlated with 390; ion correlated with 186 0.312 False 8 827.49847 C44H76O12S EtherSMGDG FHFSWBIPHCFXAB-UHFFFAOYSA-N O=C(OC(COCCCCCCCCC)COC1OC(CO)C(O)C(OS(=O)(=O)O)C1O)CCCCCCCCCC=CCC=CCC=CCC=CCC=CCC 530 True True False False False null null 99.9 99.9 null null null 52.78 YILU0370-neg-3 827.49805:3119 828.5014:1934 829.50476:709 0 0 0 0 21362 21332 23831 23627 23433 24414 24353 24289 23260 19335 19934 20596 0 22999.9609375 21961.0947265625 0 1321.79611738549 2267.15919336665 585 5.369 828.56262 PI 33:0|PI 15:0_18:1(d7) [M-H]- 0.75 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 430 True True True False True null null 77.1 100 98.7 69.4 44.4 307.49 YILU0373-neg-2 828.56262:20230 829.56597:11476 830.56933:2754 241.01019:67 241.21899:89 288.29291:96 828.33691:58 828.38361:96 828.56073:11866 828.70758:79 828.85199:54 828.9397:66 0 0 0 0 96635 94741 94363 103356 104287 101222 108236 104920 103874 147754 149540 146890 0 99100.73828125 126868.907552083 0 4405.39630497645 23275.6052800359 586 8.367 828.60284 w/o MS2:HexCer 17:1;2O/26:6;O [M-H]- ion correlated with 420; adduct linked to 546_[M-H2O-H]- 0.75 False 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 94.5 100 null null null 345.18 YILU0370-neg-2 828.60284:19659 829.60619:15367 830.60955:4247 0 0 0 0 151881 151996 146104 143371 145445 134198 122944 122950 123799 125134 121953 124643 0 145499.080729167 123570.55859375 0 6565.94286604429 1186.68226058687 587 7.118 828.62109 w/o MS2:HexCer 22:0;2O/16:2;O [M+Hac-H]- ion correlated with 558; ion correlated with 403; adduct linked to 558_[M+FA-H]- 0.75 True 10.29 828.62061 C44H83NO9 HexCer_HDS DLEAVSMJEBXWKE-UHFFFAOYSA-N O=C(NC(COC1OC(CO)C(O)C(O)C1O)C(O)CCCCCCCCCCCCCCCCCCC)C(O)CCCCCCC=CCC=CCCC 530 True True False False False null null 80 99.9 null null null 765.09 YILU0372-neg-1 828.62109:41685 829.62444:27513 830.6278:6035 71.01282:58 89.02311:76 119.02746:87 143.03587:72 158.97844:52 169.0488:71 327.29095:71 588.53455:292 768.33392:56 768.37219:80 768.45416:161 768.60046:26886 769.12091:65 769.26367:65 769.48102:63 769.60089:739 769.78912:67 828.61322:384 0 0 0 0 258138 264496 252865 279002 274392 275659 288866 283849 284517 250764 232947 241043 0 267425.208333333 263664.322916667 0 10556.4205704408 24896.1832004812 588 8.71 829.6701 w/o MS2:PA 17:0_28:0 [M-H]- ion correlated with 419 0.75 False 13.4 829.66919 C48H95O8P PA JJODWZVGTDUNJB-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCC)COP(=O)(O)O)CCCCCCCCCCCCCCCC 530 True True False False False null null 99.6 99.9 null null null 91.16 YILU0372-neg-2 829.6701:5203 830.67345:3963 831.67681:1166 0 0 0 0 29235 29964 27813 33003 33129 31811 32225 33367 33005 25660 24395 24541 0 30825.9296875 28865.5143229167 0 2161.75813062032 4419.18469027234 589 3.153 831.49268 Unknown [M-H]- ion correlated with 220 0.688 False null null null null null null 999 False False False False False null null null null null null null 69.39 YILU0371-neg-1 831.49268:4591 832.49603:2445 833.49939:797 0 0 0 0 30760 33906 29642 35195 35719 34917 26438 26523 25867 25780 26422 23412 0 33356.5755208333 25740.4192708333 0 2539.06137276858 1183.40944401876 590 4.828 831.50409 PI 34:3|PI 16:0_18:3 [M-H]- adduct linked to 904_[2M-H]- 0.75 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 99.9 100 71.9 100 1553.78 YILU0372-neg-1 831.50409:89083 832.50744:55012 833.5108:13360 78.95922:58 152.99532:59 241.01392:289 255.23109:283 277.21667:153 391.22314:191 553.27655:266 571.25409:59 575.2569:80 799.46289:60 831.27606:102 831.32928:155 831.50366:59930 0 0 0 0 609124 594131 597586 609961 606310 619328 660546 666140 647025 592772 581207 584818 0 606073.34375 622084.625 0 9108.2864252447 39903.0092530822 591 5.378 831.52789 w/o MS2:MGDG 14:1_22:6 [M-H]- ion correlated with 779; similar chromatogram in higher mz_855; similar chromatogram in higher mz_862; similar chromatogram in higher mz_889; similar chromatogram in higher mz_899 0.75 True 8.59 831.52643 C45H72O10 MGDG FJNSOFUKNHAPQW-UHFFFAOYSA-N O=C(OCC(OC(=O)CCC=CCC=CCC=CCC=CCC=CCC=CCC)COC1OC(CO)C(O)C(O)C1O)CCCCCCCC=CCCCC 530 True True False False False null null 100 99.9 null null null 157.13 YILU0372-neg-2 831.52661:9554 832.52996:5842 833.53332:2135 78.96006:61 152.99269:52 223.00298:97 241.01035:137 255.23215:193 277.21835:182 391.22189:72 413.21014:56 553.2854:114 771.48822:56 799.46985:69 831.26453:83 831.30762:159 831.36627:169 831.50336:36858 831.88513:65 0 0 0 0 63279 66043 65009 69444 70869 72706 81668 83017 82419 69555 69291 69656 0 67891.798828125 75934.4583333333 0 3673.19736612249 7061.95116147079 592 5.234 833.51764 PI 34:2|PI 16:0_18:2 [M-H]- 0.75 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 100 100 94.4 72.5 100 731.62 YILU0370-neg-2 833.5177:34800 834.52105:25376 835.52441:6281 96.96591:69 139.00568:59 152.99435:89 241.01137:209 255.23196:303 278.2218:102 279.23166:595 391.22388:200 415.22629:72 553.27838:110 833.51929:25299 833.64178:236 833.95898:106 0 0 0 0 227701 225212 227023 237816 239170 235793 262940 266534 268372 246596 230419 243789 0 232119.213541667 253108.416666667 0 6146.03365615615 15191.794099297 593 5.616 833.54364 MGDG 36:6|MGDG 18:3_18:3 [M+CH3COO]- adduct linked to 496_[M-H]-; adduct linked to 882_[2M-H]- 0.75 True 8.97 833.54211 C45H74O10 MGDG QUZHZFAQJATMCA-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCCC=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 85.9 59.6 100 4577.72 YILU0370-neg-1 833.54333:215594 834.54668:157964 835.55004:44037 59.01398:4999 71.00888:87 73.0302:50 89.02482:108 101.02484:219 113.02391:213 119.03483:58 141.02084:104 145.05093:80 161.04565:433 179.05586:89 187.06189:117 235.08212:2439 253.06776:292 253.09322:4261 276.80569:77 277.03949:56 277.09937:109 277.21786:166190 277.73486:92 277.76642:99 277.81625:70 277.87564:95 277.94388:66 278.0137:107 278.03336:55 278.07812:93 278.18295:72 278.21945:1549 278.42911:73 278.76376:64 319.22446:60 495.25943:58 495.29169:143 513.17462:85 513.30701:12806 513.40973:54 513.49786:53 513.61926:54 513.72516:51 773.43756:64 773.51825:2875 774.52289:63 833.50189:57 833.54102:299 0 0 0 0 1567408 1555446 1558097 1666422 1661613 1661988 1814217 1809068 1842498 1640104 1587395 1639304 0 1611829.08333333 1722097.45833333 0 56593.6998066959 111596.171644368 594 5.611 835.54559 w/o MS2:PG 7:0_34:6 [M-H]- 0.062 False 8.47 835.5495 C47H81O10P PG FOSNJDZNIDZKMU-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCCCCCCCCCC=CCC=CCC=CCC=CCC=CCC=CCC)COP(=O)(O)OCC(O)CO)CCCCCC 530 True True False False False null null 92.7 100 null null null 633.59 YILU0370-neg-3 835.54559:31679 836.54894:10947 837.5523:0 0 0 0 0 236543 229043 230911 252238 250571 248609 280201 280906 283488 248704 235338 250383 0 241319.200520833 263169.919270833 0 10390.4120669837 20807.7981370295 595 6.072 835.55902 MGDG 36:5|MGDG 18:2_18:3 [M+CH3COO]- adduct linked to 499_[M-H]-; adduct linked to 572_[M+FA-H]-; adduct linked to 885_[2M-H]- 0.75 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 100 100 94.5 76.3 100 5678.55 YILU0373-neg-2 835.55859:270535 836.56194:181076 837.5653:54693 59.01389:6057 71.01299:131 73.03039:62 89.02439:280 101.02548:189 113.0246:81 119.03534:179 125.02369:57 129.01689:61 133.04967:72 143.03299:67 145.0502:143 157.05182:87 161.04533:350 179.05531:108 235.08276:2715 236.08453:51 253.09264:4436 277.21783:94618 277.67432:64 277.71396:91 277.77863:50 277.80792:111 277.83069:67 277.86533:73 277.89343:61 277.93088:67 277.97577:82 278.2211:755 279.13168:58 279.23334:96491 279.73047:69 279.77771:78 279.85526:58 279.90305:84 279.92261:55 280.2366:776 280.8454:55 293.24988:87 305.24619:67 319.22266:138 495.29602:78 497.31027:223 513.30658:7840 513.50684:52 514.30658:85 515.24695:117 515.32245:7083 515.73059:54 541.34814:51 775.42212:79 775.53656:5380 776.52692:50 791.54706:76 835.52063:138 835.55334:262 0 0 0 0 2069764 2028706 2037395 2151648 2186125 2184054 2302409 2347452 2357231 2081382 2038450 2071430 0 2109615.52083333 2199725.64583333 0 72817.3750992172 150764.547654207 596 8.341 836.65814 w/o MS2:CL 14:0_17:0_28:0_28:0 [M-H2O-H]- adduct linked to 629_[M-H]- 0.75 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 99.8 99.8 null null null 120 YILU0371-neg-1 836.65814:6716 837.66149:3971 838.66485:1973 0 0 0 0 47988 51935 47999 52985 51636 48650 50267 47850 44829 49164 44317 45235 0 50198.6067708333 46943.603515625 0 2234.6513075696 2493.36181873454 597 3.877 837.48462 w/o MS2:DGDG 8:0_16:1 [M-H]- 0.75 True 7.54 837.48529 C39H70O15 DGDG NJSSKRWSTHZJNR-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCCC=CCCCCCC)COC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O)CCCCCCC 530 True True False False False null null 99.9 99.9 null null null 1089.56 YILU0371-neg-3 837.48462:62614 838.48797:37730 839.49133:10950 377.90665:59 559.25232:72 805.50031:79 837.24152:79 837.48309:44869 837.8974:82 837.94135:79 0 0 0 0 418340 415176 411317 435313 438383 437008 421304 415720 407411 385936 428161 392044 0 425923 408429.328125 0 12268.9258674513 16635.7152600886 598 6.359 837.52979 w/o MS2:PG 18:2_22:4;1O [M-H]- ion correlated with 379; ion correlated with 533; ion correlated with 823 0.188 True 8.23 837.52869 C46H79O11P OxPG WJWLUGCJUUCSTC-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCCC(O)C=CCC=CCC=CCC=CCC)COP(=O)(O)OCC(O)CO)CCCCCCCC=CCC=CCCCCC 530 True True False False False null null 70.8 100 null null null 63.76 YILU0372-neg-1 837.52979:3354 838.53314:2916 839.5365:1945 59.01412:2682 87.00662:52 89.02315:56 101.02469:54 113.02423:66 157.04935:56 159.02963:77 161.04533:102 179.05476:111 235.08179:1002 253.05418:79 253.09271:1792 253.21603:58 277.21664:2911 278.85345:61 279.0466:50 279.15552:85 279.23294:70348 279.80405:50 279.83704:77 279.94333:60 280.20679:53 280.23676:409 280.2832:58 280.43417:52 281.24844:3988 282.21289:57 282.24872:54 305.2453:53 497.31052:138 513.30188:158 515.32098:5880 516.32611:78 517.33826:402 777.47369:109 777.55035:2547 778.56531:50 837.54095:71 837.56952:193 0 0 0 0 20259 19484 18898 18114 20034 19114 22804 20686 21086 19654 18772 18480 0 19316.9596354167 20247.1481119792 0 786.632840903583 1617.69473294221 599 6.802 837.57111 MGDG 36:4|MGDG 16:0_20:4 [M+CH3COO]- ion correlated with 644; adduct linked to 893_[2M+Hac-H]- 0.75 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 100 100 89.6 70.2 100 223.8 YILU0370-neg-3 837.57227:11168 838.57562:6467 839.57898:1721 59.01303:440 235.08083:110 253.09248:190 255.23209:2687 303.18933:63 303.23184:3411 304.23639:58 427.62231:159 491.28046:59 491.32477:261 539.32141:114 777.54797:182 0 0 0 0 83506 90271 88079 88406 95899 88180 92120 94302 95692 94655 92029 87529 0 89056.9036458333 92721.2955729167 0 4031.14246236976 2927.8590089608 600 6.51 837.57184 MGDG 36:4|MGDG 18:2_18:2 [M+CH3COO]- adduct linked to 886_[2M-H]-; adduct linked to 576_[M+FA-H]- 0.75 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 100 100 82.8 63.5 100 3418.2 YILU0372-neg-1 837.57452:184155 838.57787:124436 839.58123:34428 59.01412:2682 87.00662:52 89.02315:56 101.02469:54 113.02423:66 157.04935:56 159.02963:77 161.04533:102 179.05476:111 235.08179:1002 253.05418:79 253.09271:1792 253.21603:58 277.21664:2911 278.85345:61 279.0466:50 279.15552:85 279.23294:70348 279.80405:50 279.83704:77 279.94333:60 280.20679:53 280.23676:409 280.2832:58 280.43417:52 281.24844:3988 282.21289:57 282.24872:54 305.2453:53 497.31052:138 513.30188:158 515.32098:5880 516.32611:78 517.33826:402 777.47369:109 777.55035:2547 778.56531:50 837.54095:71 837.56952:193 0 0 0 0 1335494 1326541 1313753 1397237 1381494 1383847 1485657 1474190 1476424 1286480 1252938 1273724 0 1356394.47916667 1374902.08333333 0 35208.2515521412 114334.632721063 601 8.768 838.67627 w/o MS2:RIKEN N-VS1 ID-6664 from Mouse_Feces_WT_N_Ctr [M-H2O-H]- ion correlated with 582; adduct linked to 633_[M-H]- 0.75 False 13.2 838.67548 Unknown 530 True True False False False null null 99.7 99.9 null null null 191.74 YILU0370-neg-1 838.67627:11139 839.67962:7389 840.68298:2044 0 0 0 0 81763 81223 90029 72012 72592 72439 60072 60077 58548 66248 61584 65574 0 78343.0208333333 62017.2265625 0 7274.2681956381 3172.43802486358 602 4.627 839.49841 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 112.81 YILU0370-neg-1 839.49841:6370 840.50176:4246 841.50512:1223 0 0 0 0 40889 40104 39154 40251 41511 42263 40818 44381 42891 36441 37899 37667 0 40695.3365885417 40016.0364583333 0 1103.04736799807 3185.55986362759 603 4.309 839.49939 w/o MS2:SMGDG O-8:0_28:6 [M-H]- 0.75 True 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 99.9 99.9 null null null 1900.42 YILU0371-neg-3 839.49939:100525 840.50274:70578 841.5061:23995 72.99177:58 73.03033:76 80.96557:190 94.98101:74 100.93137:55 164.98502:71 225.00694:363 277.21506:54 559.25702:82 561.27246:120 839.04596:55 839.24445:114 839.49951:75264 0 0 0 0 713938 703951 705819 747909 745362 758177 740469 725488 735845 670780 709714 680742 0 729192.729166667 710506.291666667 0 23949.9029204604 29082.6246766128 604 6.926 839.59137 MGDG 36:3|MGDG 18:1_18:2 [M+CH3COO]- adduct linked to 580_[M+FA-H]- 0.75 True 10.25 839.58899 C45H80O10 MGDG WJVJJQWZSIYMIV-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCCC=CCC=CCCCCC)COC1OC(CO)C(O)C(O)C1O)CCCCCCCC=CCCCCCCCC 410 True True True False False null null 100 99.9 93.8 76.5 100 1102.84 YILU0373-neg-2 839.59009:49019 840.59344:35682 841.5968:8497 59.01374:1309 83.02433:84 89.02275:82 101.02507:55 235.08177:471 253.06639:58 253.09315:725 265.20789:70 279.23273:14641 279.40652:51 281.24854:16399 281.32431:64 281.38907:50 281.40741:53 282.25287:189 497.31158:74 515.32062:819 517.33795:2021 518.33881:53 779.56604:1792 839.58618:78 0 0 0 0 465566 461911 463363 484342 490336 491142 528646 518503 527122 456955 425101 449645 0 476109.989583333 484328.760416667 0 13938.0857887361 45658.2174660383 605 8.124 840.60406 RIKEN N-VS1 ID-6681 from Mouse_Feces_WT_N_Ctr [M-H]- 0.75 True 12.5 840.6059 Unknown 430 True True True False False null null 88.3 99.9 83.3 82 83.3 612.13 YILU0371-neg-3 840.60382:29536 841.60717:23498 842.61053:7319 99.92525:125 100.93373:3632 101.93368:56 156.98065:115 158.97527:19247 159.02866:114 159.1012:109 159.18251:53 159.97517:92 0 0 0 0 227698 219214 218285 231077 221193 209009 224557 210516 211533 206476 198486 196290 0 221079.390625 207976.453125 0 7755.87234947605 10226.2551076367 606 8.979 840.63879 w/o MS2:RIKEN N-VS1 ID-6685 from Mouse_Feces_WT_N_Ctr [M-H]- ion correlated with 857 0.75 False 13.28 840.63733 Unknown 530 True True False False False null null 98.9 99.9 null null null 97.82 YILU0370-neg-3 840.63879:5328 841.64214:7629 842.6455:2911 0 0 0 0 39963 39260 39427 37562 37301 36749 37392 35577 36207 33566 34182 34815 0 38377.0625 35289.7838541667 0 1331.85501198716 1397.72106130881 607 8.213 840.65356 w/o MS2:SL 16:1;O/36:6 [M-H]- 0.125 False 13.46 840.65448 C52H91NO5S SL GKLKDDVZKWBOTI-UHFFFAOYSA-N O=C(N(CC(O)C=CCCCCCCCCCCC)CS(=O)(=O)O)CCCCCCCCCCCCCCCCC=CCC=CCC=CCC=CCC=CCC=CCC 530 True True False False False null null 99.6 99.9 null null null 180.95 YILU0370-neg-3 840.65356:9269 841.65691:5174 842.66027:1520 0 0 0 0 68118 72547 67511 69781 62271 64127 49828 47348 45170 49871 52745 53111 0 67392.671875 49678.8294270833 0 3733.92938243779 3066.09316331064 608 1.76 841.40387 Unknown [M-H]- 0.188 True null null null null null null 999 False False False False False null null null null null null null 94.89 YILU0372-neg-1 841.40253:4169 842.40588:3052 843.40924:1492 199.1712:105 481.15424:63 555.18219:75 841.30737:79 841.40393:1937 0 0 0 0 4059 5750 2075 10879 12073 8540 19213 28442 29315 7765 9729 8629 0 7229.27001953125 17182.034749349 0 3931.93359405634 9954.79876232566 609 4.771 841.51495 w/o MS2:SMGDG O-8:0_28:5 [M-H]- 0.75 True 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 99.9 99.9 null null null 820.32 YILU0372-neg-1 841.51495:55269 842.5183:34937 843.52166:9952 80.96551:142 96.95814:66 225.00589:130 561.27637:80 841.27435:81 841.35352:219 841.40149:674 841.51562:32722 841.88281:91 841.96075:108 841.99268:85 0 0 0 0 443189 440525 444242 442022 439452 444788 456827 445491 449231 415274 416661 406775 0 442369.703125 431709.875 0 2100.51710065325 21194.7857646215 610 5.042 841.51617 w/o MS2:SMGDG O-8:0_28:5 [M-H]- ion correlated with 702 0.75 True 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 99.2 100 null null null 894.91 YILU0370-neg-3 841.51617:61260 842.51952:53447 843.52288:16653 73.0272:56 80.96547:180 94.98136:198 148.99063:108 179.00282:51 225.00737:302 841.31696:133 841.35779:194 841.51447:51598 841.98108:92 0 0 0 0 403394 394179 401441 397721 390255 392937 379678 377666 367390 360384 371198 358098 0 396654.520833333 369069.109375 0 5106.04636144075 8827.41935442554 611 7.399 841.60413 w/o MS2:CL 17:0_22:3_28:0_22:6 [M-H]- ion correlated with 694 0.625 False 14.32 841.604 C98H174O17P2 CL OTTFWNSAPXOQTD-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCC)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 100 99.8 null null null 90.67 YILU0372-neg-3 841.60413:4957 842.60748:2512 843.61084:1179 0 0 0 0 46341 47489 47985 50454 48613 48073 47473 48039 50172 41309 39078 41980 0 48159.0091145833 44675.0631510417 0 1361.28367868096 4456.17417505015 612 8.901 841.63538 w/o MS2:PG O-14:0_28:3 [M+Hac-H]- ion correlated with 656; adduct linked to 480_[M-H2O-H]- 0.688 True 12.98 841.63281 C48H91O9P EtherPG WNLBLCVMRBVYAP-UHFFFAOYSA-N O=C(OC(COCCCCCCCCCCCCCC)COP(=O)(O)OCC(O)CO)CCCCCCCCCCCCC=CCC=CCC=CCCCCCCC 530 True True False False False null null 98.8 99.9 null null null 299.09 YILU0371-neg-2 841.63538:17970 842.63873:13329 843.64209:3317 58.83416:54 59.01402:4549 92.01124:484 123.04536:65 127.00159:72 153.05603:256 179.07124:383 749.62299:248 753.61847:314 759.62268:87 763.60193:349 781.61249:126 841.53601:81 0 0 0 0 138597 134249 136538 143265 147679 141094 131266 133213 130975 139388 131188 131458 0 140236.908854167 132914.727864583 0 4848.02032578659 3273.47817949968 613 8.202 841.65735 w/o MS2:CL 14:0_18:2_28:0_28:0 [M-H]- ion correlated with 583; ion correlated with 552 0.125 False 15.01 841.651 C97H186O17P2 CL VVEDIGDCNTYSNF-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCCCCCCCC)COP(=O)(O)OCC(O)COP(=O)(O)OCC(OC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCC)CCCCCCCC=CCC=CCCCCC 530 True True False False False null null 81.8 99.8 null null null 78.92 YILU0370-neg-1 841.65735:4600 842.6607:1461 843.66406:459 0 0 0 0 31888 32658 29803 30789 25608 27835 22275 20643 21483 27807 23405 23413 0 29763.5055338542 23170.94140625 0 2643.11093341004 2515.80183275518 614 6.998 842.56421 w/o MS2:CL 18:3_22:6_28:0_22:6 [M-H]- ion correlated with 307 0.562 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 99.8 99.8 null null null 98.07 YILU0371-neg-2 842.56421:6045 843.56756:2891 844.57092:728 0 0 0 0 61128 57648 59110 59930 63681 60394 58160 58749 58738 50536 57007 52380 0 60315.2194010417 55928.48828125 0 2034.96156259501 3568.41528216757 615 8.586 842.61853 RIKEN N-VS1 ID-6716 from Mouse_Feces_WT_N_Ctr [M-H]- 0.75 True 13.1 842.62158 Unknown 430 True True True False False null null 88 99.9 84.3 80.2 83.3 953.87 YILU0373-neg-2 842.61871:49467 843.62206:29677 844.62542:9621 83.9311:57 99.92364:55 100.91036:106 100.9336:4667 101.93348:93 156.98128:103 158.9753:22884 159.14359:55 159.17412:85 159.97679:205 378.79391:63 682.62744:134 748.54004:51 4425 701 678 252 567396 567039 538696 536558 527608 515832 493016 494611 485844 487913 486903 479410 1513.95589447021 542188.041666667 487949.557291667 1951.78944512941 20995.9801876479 5449.64985039953 616 4.966 843.41132 Unknown [M-H]- 0.188 False null null null null null null 999 False False False False False null null null null null null null 78.33 YILU0370-neg-1 843.41132:4178 844.41467:3856 845.41803:1062 0 0 0 0 26410 25569 24124 22092 20524 20333 19581 19293 20128 17380 17137 17193 0 23175.4876302083 18452.1448567708 0 2583.59972607031 1360.28659767785 617 5.178 843.53064 w/o MS2:SMGDG O-8:0_28:4 [M+FA-H]- ion correlated with 442; adduct linked to 503_[M-H2O-H]- 0.75 True 8.22 843.52979 C45H80O12S EtherSMGDG SXPGPIOVYCFPBB-UHFFFAOYSA-N O=C(OC(COCCCCCCCC)COC1OC(CO)C(O)C(OS(=O)(=O)O)C1O)CCCCCCCCCCCCCCC=CCC=CCC=CCC=CCC 530 True True False False False null null 99.9 100 null null null 408.9 YILU0370-neg-1 843.53064:22685 844.53399:14427 845.53735:4268 94.97808:77 178.88293:101 225.00459:73 563.28815:50 826.3858:55 843.30243:82 843.40936:764 843.53058:16335 843.68158:80 843.75861:100 843.81085:69 843.84839:67 0 0 0 0 157919 150700 146429 149770 153128 138161 142884 141627 153785 133827 122624 137380 0 149351.1015625 138687.854166667 0 6684.62410056793 10368.9030465727 618 7.981 844.59821 w/o MS2:AHexCer (O-15:1)12:1;2O/16:4;O [M-H]- ion correlated with 497; ion correlated with 456 0.75 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 93.1 100 null null null 193.57 YILU0370-neg-2 844.59821:11373 845.60156:8781 846.60492:2292 0 0 0 0 84573 86488 85662 82617 79021 77356 60258 61419 57605 64594 58956 64558 0 82619.5247395833 61231.5423177083 0 3706.496578102 2887.42423788702 619 5.959 845.54297 w/o MS2:MGDG 15:1_22:6 [M+FA-H]- ion correlated with 686; ion correlated with 784; adduct linked to 637_[M+CH3COO]- 0.75 True 8.81 845.54211 C46H74O10 MGDG OAGMCSMABCWWNL-UHFFFAOYSA-N O=C(OCC(OC(=O)CCC=CCC=CCC=CCC=CCC=CCC=CCC)COC1OC(CO)C(O)C(O)C1O)CCCCCCCC=CCCCCC 530 True True False False False null null 99.9 100 null null null 1283.78 YILU0373-neg-2 845.54297:67030 846.54632:41315 847.54968:13004 44.99783:1714 94.98087:114 96.6828:53 235.08235:73 253.09094:121 277.21658:2940 278.22064:117 279.2305:62 285.22391:87 301.21506:72 303.23282:3759 304.23303:87 354.25482:76 513.3031:759 521.30896:75 539.32172:477 799.47333:132 799.53418:2378 800.52448:69 845.5415:21295 845.72272:92 845.79639:64 845.90039:86 845.97168:60 846.034:90 0 0 0 0 523311 514269 515519 534725 536170 525931 566357 577720 564494 538430 556373 537899 0 524987.765625 556878.822916667 0 9253.12461509519 16019.0043663191 620 5.693 845.54645 w/o MS2:SMGDG O-8:0_28:3 [M-H]- ion correlated with 860; ion correlated with 672 0.75 False 8.63 845.54541 C45H82O12S EtherSMGDG BOVFKTWLQWLPBH-UHFFFAOYSA-N O=C(OC(COCCCCCCCC)COC1OC(CO)C(O)C(OS(=O)(=O)O)C1O)CCCCCCCCCCCCC=CCC=CCC=CCCCCCCC 530 True True False False False null null 99.5 100 null null null 89.17 YILU0372-neg-2 845.54645:4958 846.5498:3191 847.55316:1265 0 0 0 0 41609 41584 40406 40859 39993 38669 42639 44752 42654 37449 34739 37406 0 40519.9166666667 39939.8372395833 0 1109.07819448841 3936.45926679484 621 6.376 847.55878 w/o MS2:RIKEN N-VS1 ID-6818 from Mouse_Testis_fads2KO_N_Ctr [M+FA-H]- ion correlated with 759; adduct linked to 639_[M+CH3COO]- 0.75 True 8.92 847.55872 Unknown 530 True True False False False null null 100 100 null null null 1234.05 YILU0372-neg-2 847.55878:68227 848.56213:54342 849.56549:17310 44.99776:1699 94.98137:88 104.24616:69 235.08197:140 253.09033:131 279.2323:2742 285.224:72 303.23242:3912 304.23801:131 497.32266:53 515.28253:98 515.32104:465 539.31677:365 540.32648:53 801.41943:59 801.55042:2297 802.55737:134 847.36005:118 847.55762:22743 847.8432:69 847.87207:54 847.9101:66 0 0 0 0 434572 416592 421669 425306 435987 435238 485295 488993 475108 434488 419503 428747 0 428227.333333333 455355.734375 0 8204.19761469954 31134.9051788879 622 9.086 848.6026 w/o MS2:SHexCer 39:1;2O [M-H]- 0.75 True 9.35 848.59271 C45H87NO11S SHexCer MGWXZYZUOYECCC-UHFFFAOYSA-N O=C(NC(COC1OC(CO)C(O)C(OS(=O)(=O)O)C1O)C(O)C=CCCCCCCC)CCCCCCCCCCCCCCCCCCCCCCCCCC 530 True True False False False null null 71.2 100 null null null 364.93 YILU0372-neg-1 848.6026:19901 849.60595:16382 850.60931:4684 100.93417:56 101.9339:55 249.0423:110 788.64587:74 848.60236:15654 848.75922:94 848.79742:70 848.86542:62 848.9024:72 0 0 0 0 122962 120432 118560 129848 127214 129471 131861 129340 124254 104943 96695 98298 0 124747.984375 114231.692708333 0 4785.64096048134 16044.9056065861 623 6.633 849.57263 w/o MS2:MGDG 15:0_22:5 [M+FA-H]- ion correlated with 237; ion correlated with 387; adduct linked to 645_[M+CH3COO]- 0.75 False 9.5 849.57343 C46H78O10 MGDG AWLKWVDGZUFAGT-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCC=CCC=CCC=CCC=CCC=CCC)COC1OC(CO)C(O)C(O)C1O)CCCCCCCCCCCCCC 530 True True False False False null null 99.7 100 null null null 96.99 YILU0372-neg-1 849.57263:5612 850.57598:3393 851.57934:1156 0 0 0 0 38379 36893 37376 39384 41665 37643 44227 41832 42437 35955 36302 35179 0 38556.7408854167 39322 0 1753.47498550637 3941.52077322468 624 6.139 849.57751 w/o MS2:SMGDG O-8:0_28:1 [M-H]- 0.75 True 9.36 849.57672 C45H86O12S EtherSMGDG NYUCWUKXGQVYHV-UHFFFAOYSA-N O=C(OC(COCCCCCCCC)COC1OC(CO)C(O)C(OS(=O)(=O)O)C1O)CCCCCCCCCCCCCCCC=CCCCCCCCCCC 530 True True False False False null null 99.9 99.9 null null null 1166.96 YILU0371-neg-1 849.57751:61742 850.58086:42453 851.58422:13380 61.56607:67 72.99324:209 80.9655:60 225.00854:51 537.26721:63 834.07629:63 848.87927:52 849.0506:56 849.35138:115 849.57715:42989 849.93915:104 850.02124:50 0 0 0 0 431618 428163 427947 433924 426340 430339 424406 427912 416361 366361 376340 360790 0 429721.692708333 395361.661458333 0 2780.42582559707 30796.5003902344 625 7.031 851.58905 w/o MS2:MGDG 15:0_22:4 [2M+Hac-H]- adduct linked to 146_[M-H2O-H]- 0.562 False 10.11 851.58899 C46H80O10 MGDG ROQDFYWQOGCFNS-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCCCC=CCC=CCC=CCC=CCC)COC1OC(CO)C(O)C(O)C1O)CCCCCCCCCCCCCC 530 True True False False False null null 100 100 null null null 74.26 YILU0372-neg-2 851.58905:4154 852.5924:3388 853.59576:868 0 0 0 0 33500 33204 33083 33060 35015 32888 32973 35928 35717 28312 29234 28206 0 33458.2727864583 31728.2900390625 0 789.387714665641 3616.44628333676 626 8.952 852.68988 w/o MS2:RIKEN N-VS1 ID-6899 from Mouse_Feces_WT_N_Ctr [M-H2O-H]- ion correlated with 382; adduct linked to 656_[M-H]- 0.438 False 13.31 852.68988 Unknown 530 True True False False False null null 100 99.9 null null null 71.73 YILU0370-neg-1 852.68988:3940 853.69323:2372 854.69659:738 0 0 0 0 28581 27727 27311 25857 24703 24634 21795 21202 19067 21751 21355 22153 0 26468.861328125 21220.2509765625 0 1650.23657110697 1107.90595253634 627 3.954 853.48688 PI 36:6|PI 18:3_18:3 [M-H]- ion correlated with 475 0.625 True 7.94 853.4873 C45H75O13P PI JZZCDELPKAXQMT-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCCC=CCC=CCC=CCC)COP(=O)(O)OC1C(O)C(O)C(O)C(O)C1O)CCCCCCCC=CCC=CCC=CCC 410 True True True False False null null 100 99.9 95.1 81.1 100 77.48 YILU0372-neg-1 853.48688:4310 854.49023:2260 855.49359:719 241.00987:101 277.21713:87 413.20764:68 853.48553:3032 0 0 0 0 26037 26572 27084 26841 26525 26627 30606 28307 29251 24731 24261 23889 0 26614.4368489583 26840.91796875 0 350.626080946545 2896.87444012413 628 7.176 853.60547 w/o MS2:ADGGA 15:1_12:0_12:0 [M+FA-H]- ion correlated with 831; adduct linked to 651_[M+Hac-H]- 0.75 False 10.86 853.60468 C48H86O12 ADGGA UOTRFJIOFXRDDF-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCCCCCC)COC1OC(C(=O)O)C(O)C(O)C1OC(=O)CCCCCCCC=CCCCCC)CCCCCCCCCCC 530 True True False False False null null 99.7 99.9 null null null 60.02 YILU0372-neg-3 853.60547:4824 854.60882:3561 855.61218:1145 0 0 0 0 33988 34119 30874 37666 35346 33556 33736 35169 36729 29929 29566 32860 0 34258.11328125 32998.2464192708 0 2228.78256900869 2842.43720995111 629 8.338 854.61877 RIKEN N-VS1 ID-6921 from Mouse_Feces_WT_N_Ctr [M-H]- adduct linked to 596_[M-H2O-H]- 0.75 True 13.11 854.62152 Unknown 430 True True True False False null null 81.9 99.9 84.6 67.6 50 454.54 YILU0373-neg-2 854.61969:21542 855.62304:14607 856.6264:5013 100.93355:2534 156.98099:77 158.97502:10645 159.17097:62 159.97627:124 184.10092:60 185.08218:66 0 0 0 0 187794 183966 178391 196333 186325 172935 187095 183212 175064 176531 170209 167709 0 184290.7109375 176636.71875 0 8065.85962942554 7431.03767468303 630 8.427 854.6684 w/o MS2:RIKEN N-VS1 ID-6927 from Mouse_Brain_WT_N_F1AA [M-H]- 0.312 False 12.61 854.66852 Unknown 530 True True False False False null null 100 99.9 null null null 68.24 YILU0370-neg-3 854.6684:3614 855.67175:1867 856.67511:522 0 0 0 0 24029 25687 24218 22434 20831 22387 15377 15345 14803 19292 16702 16349 0 23264.5048828125 16311.2179361979 0 1717.01584874439 1619.99071806667 631 2.401 855.45593 w/o MS2:PG 16:1_22:6;4O [M-H]- similar chromatogram in higher mz_679 0.625 True 7.2 855.46649 C44H73O14P OxPG MBQRWJCOTDQIJY-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(O)CO)CCCCCCCC=CCCCCCC 530 True True False False False null null 82.7 99.9 null null null 152.03 YILU0372-neg-1 855.45593:14384 856.45928:16313 857.46264:6625 126.99389:55 227.20207:316 541.21002:119 627.24194:66 855.23444:53 855.45642:12155 855.58057:91 0 0 0 0 17116 16375 19415 45741 43023 51261 88386 76291 72237 23556 26140 21694 0 32154.8424479167 51384 0 16156.8744010065 30716.2974691725 632 7.759 856.59784 w/o MS2:AHexCer (O-16:2)12:1;2O/16:4;O [M-H]- ion correlated with 890 0.75 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 94.3 100 null null null 188.5 YILU0371-neg-1 856.59784:10733 857.60119:7237 858.60455:2543 0 0 0 0 80936 79281 76846 80740 77815 75737 66821 65434 63683 67891 55552 58946 0 78559.31640625 63054.4544270833 0 2115.66112745389 4833.38966380777 633 8.769 856.63489 RIKEN N-VS1 ID-6955 from Mouse_Feces_WT_N_Ctr [M-H]- adduct linked to 601_[M-H2O-H]- 0.75 True 13.21 856.63623 Unknown 430 True True True False False null null 84.6 99.9 85.5 72.7 60 695.47 YILU0372-neg-3 856.6358:31643 857.63915:21556 858.64251:6943 100.93356:3618 156.98073:82 158.97516:16412 159.03191:51 159.9715:130 856.44812:50 1787 0 0 0 329275 326556 309434 305324 293750 298350 258075 265274 259037 272901 267019 261750 446.779266357422 310448.192708333 264009.325520833 893.558532714844 14603.8987235566 5563.580944589 634 5.177 857.51935 PI 36:4|PI 16:0_20:4 [M-H]- ion correlated with 397 0.75 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 100 100 95.3 73.8 100 548.19 YILU0370-neg-3 857.51892:27885 858.52227:17391 859.52563:4414 78.9602:174 196.10065:81 241.01198:127 255.23103:135 259.24338:87 303.23221:230 391.22308:111 409.23495:52 439.22931:66 553.27814:90 571.28766:88 617.95007:51 857.29181:54 857.37872:118 857.52032:17168 857.66187:78 857.72156:65 857.7843:74 857.83014:98 857.92822:63 857.9754:51 0 0 0 0 183610 179495 183151 183328 183062 180313 205647 206192 206254 180414 178888 176957 0 182159.908854167 192391.830729167 0 1776.10246903422 14982.4543869283 635 5.517 857.54272 w/o MS2:MGDG 16:2_22:6 [M-H]- similar chromatogram in higher mz_706 0.75 True 8.81 857.54211 C47H74O10 MGDG OTLRXPXNYZOURZ-UHFFFAOYSA-N O=C(OCC(OC(=O)CCC=CCC=CCC=CCC=CCC=CCC=CCC)COC1OC(CO)C(O)C(O)C1O)CCCCCCCC=CCC=CCCC 530 True True False False False null null 99.9 99.9 null null null 195.99 YILU0372-neg-3 857.54272:11558 858.54607:6911 859.54943:2032 78.95969:71 222.9994:60 241.01112:96 255.23283:63 303.23163:54 857.31079:74 857.36578:87 857.51965:20297 857.83411:52 858.02673:52 0 0 0 0 72713 77328 73657 81947 81130 79535 94720 96990 97705 78493 77706 77852 0 77718.3815104167 87244.32421875 0 3860.63600012034 10159.3027309648 636 8.22 858.61353 RIKEN N-VS1 ID-6986 from Mouse_Feces_WT_N_Ctr [M-H]- 0.75 True 12.77 858.61267 Unknown 430 True True True False False null null 89.7 99.9 82.1 80.6 100 715.77 YILU0370-neg-1 858.61353:41415 859.61688:25589 860.62024:7604 100.93377:4284 156.98045:106 158.97514:20875 159.13371:53 159.97693:169 174.96716:50 698.62427:64 706.59174:51 858.61084:93 0 0 0 0 320590 315160 304173 300564 294752 288475 248002 244005 236934 251122 250770 250558 0 303952.302083333 246898.309895833 0 12150.4097726307 5569.43772709928 637 5.954 859.55896 MGDG 38:7|MGDG 18:3_20:4 [M+CH3COO]- adduct linked to 530_[M-H]-; adduct linked to 619_[M+FA-H]-; adduct linked to 891_[2M-H]- 0.75 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 92.3 76.5 100 3645.86 YILU0373-neg-2 859.55841:179571 860.56176:121791 861.56512:35315 59.01389:3449 89.02335:115 113.02443:175 121.10263:100 145.04724:63 161.04686:112 179.05841:52 235.04979:53 235.08194:1347 253.0929:2550 254.08405:64 259.24335:376 277.2178:50452 277.49741:56 277.52505:66 277.56323:107 277.58725:65 277.6499:59 277.75082:54 278.22061:479 279.2327:949 283.18362:83 285.22171:378 301.13629:56 301.21713:1134 303.01602:51 303.2334:60523 303.5322:52 303.63742:79 303.69806:51 303.7717:69 303.80624:51 303.82993:72 303.87122:52 303.8934:60 304.04007:73 304.1239:68 304.21307:52 304.23465:381 345.24026:72 513.30542:3671 514.28613:58 514.31171:107 521.31012:199 537.30371:145 539.25122:107 539.32123:2658 799.48871:169 799.53497:1791 800.539:52 859.55475:278 0 0 0 0 1409169 1421098 1394685 1517235 1505040 1505101 1681118 1679722 1692208 1495165 1476834 1512565 0 1458721.3125 1589602.04166667 0 56021.3291697764 104493.178634172 638 6.262 861.53186 w/o MS2:PG 20:3_22:5;1O [M-H]- ion correlated with 225; ion correlated with 241 0.5 True 8.12 861.52869 C48H79O11P OxPG BDOPFMTXVYRRIA-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCC(O)C=CCC=CCC=CCC=CCC=CCC)COP(=O)(O)OCC(O)CO)CCCCCCCCCC=CCC=CCC=CCC 530 True True False False False null null 71.8 100 null null null 89.43 YILU0372-neg-1 861.53186:5606 862.53521:3460 863.53857:2939 59.01401:2729 71.01278:86 89.02289:162 101.02503:141 113.02421:54 119.036:108 125.02335:106 143.03477:81 161.04555:72 205.19925:119 235.08195:1194 253.09274:2604 259.24393:325 277.21808:379 279.23328:50369 279.55185:78 279.59036:56 279.62735:54 279.69604:58 279.85498:54 279.88354:55 280.05716:51 280.08643:53 280.21542:83 280.23642:818 285.22186:348 303.23328:69666 303.67593:64 303.83945:71 304.23541:876 305.24896:204 465.2757:50 497.31299:67 513.30249:74 515.3219:4274 516.32025:61 539.25287:76 539.32159:3217 540.31818:59 801.55035:2711 802.55341:137 861.57074:183 0 0 0 0 27366 24311 27248 21525 23933 26501 35408 29738 33240 28859 28693 28535 0 25147.2906901042 30745.6565755208 0 2300.3525196612 2885.60479048741 639 6.382 861.57477 MGDG 38:6|MGDG 18:2_20:4 [M+CH3COO]- adduct linked to 621_[M+FA-H]-; adduct linked to 533_[M-H]- 0.75 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 92 78.1 100 2916.21 YILU0370-neg-3 861.57397:135688 862.57732:102764 863.58068:29412 55.0181:102 59.01407:2217 71.015:77 113.02424:91 119.0273:68 161.04529:57 179.05431:111 205.19482:71 235.08163:1131 253.06139:96 253.09323:2703 259.2431:240 277.21545:160 279.17203:147 279.23303:36594 279.41199:59 279.43555:62 279.58472:54 279.71967:65 279.75903:51 280.23651:234 285.2218:409 293.24316:63 302.98422:61 303.23346:53507 303.50912:76 303.5744:77 303.65427:60 303.68265:58 303.85626:74 303.92209:50 304.23526:702 305.2149:74 305.24728:305 497.30713:87 515.32227:2440 516.33209:61 521.30823:128 539.32202:3387 541.33832:129 801.48633:183 801.55194:1269 861.52869:136 861.57068:344 0 0 0 0 1070038 1053856 1048999 1079245 1129638 1133770 1296245 1296283 1293451 1090362 1052407 1086791 0 1085924.54166667 1185923.10416667 0 37118.6599866451 120580.41126955 640 5.912 862.54358 w/o MS2:PC O-14:0_20:4;4O [M-H]- 0.062 False 7.59 862.5451 C42H78NO11P EtherOxPC OKOAMIAATDNNFX-UHFFFAOYSA-N O=C(OC(COCCCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C)CCC(O)CC(O)C(O)C=CCC=CCC=CCC=CCCO 530 True True False False False null null 98.8 100 null null null 115.05 YILU0372-neg-1 862.54358:5753 863.54693:3710 864.55029:1186 0 0 0 0 29018 58648 38340 41605 49901 39026 49786 23641 32181 40636 32291 48084 0 42756.4632161458 37769.5491536458 0 10267.0570290897 10196.5440286755 641 9.171 862.61902 w/o MS2:SHexCer 40:1;2O [M-H]- 0.75 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 70.6 100 null null null 2175.21 YILU0371-neg-2 862.61902:116727 863.62237:101450 864.62573:37171 204.04718:79 263.06009:89 577.19116:54 799.92224:76 861.24603:51 862.33502:60 862.43713:337 862.61859:87017 469 0 0 0 792112 769890 769062 808160 809338 799644 810405 789913 777812 689541 660318 646803 117.365287780762 791367.572916667 729131.989583333 234.730575561523 18070.9250108434 71763.9143834165 642 2.526 863.38904 Unknown [M-H]- ion correlated with 458; ion correlated with 797 0.75 False null null null null null null 999 False False False False False null null null null null null null 95.07 YILU0370-neg-1 863.38904:5801 864.39239:3642 865.39575:1090 0 0 0 0 47980 45915 46148 43741 42994 43176 29068 29667 27909 36691 35583 36296 0 44992.4615885417 32535.7434895833 0 1998.594347804 4058.63957046039 643 4.223 863.5 w/o MS2:DGDG 8:0_18:2 [M-H]- 0.75 True 7.48 863.50098 C41H72O15 DGDG VDAZJUBFFDXCDH-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCCC=CCC=CCCCCC)COC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O)CCCCCCC 530 True True False False False null null 99.8 99.9 null null null 686.85 YILU0371-neg-1 863.5:36203 864.50335:25102 865.50671:8342 863.32178:153 863.49908:27254 863.72736:54 863.83521:58 863.96387:65 0 0 0 0 239808 245122 244774 259718 253184 256801 256173 255125 249851 224929 247814 224118 0 249901.216145833 243001.533854167 0 7819.90986754109 14654.4822620218 644 6.835 863.58685 MGDG 38:5|MGDG 18:1_20:4 [M+CH3COO]- ion correlated with 136 0.75 True 9.92 863.58899 C47H80O10 MGDG IQGANJROZSTCQN-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCC=CCC=CCC=CCC=CCC)COC1OC(CO)C(O)C(O)C1O)CCCCCCCC=CCCCCCCCC 410 True True True False False null null 100 100 77.4 81.5 100 271.76 YILU0370-neg-3 863.58856:12411 864.59191:9245 865.59527:2250 59.01444:229 85.02905:84 235.08139:159 253.0706:53 253.09264:154 259.23682:58 281.24771:3676 282.03793:51 285.22385:65 303.23239:4713 304.23212:61 517.33563:421 539.32288:167 803.56287:339 863.57861:69 863.63953:51 0 0 0 0 96244 94784 95374 101942 102204 98773 115444 113841 119415 102406 98045 98052 0 98219.9544270833 107867 0 3281.54454645768 9477.0612592652 645 6.633 863.58905 MGDG 38:5|MGDG 18:2_20:3 [M+CH3COO]- ion correlated with 240; ion correlated with 563; ion correlated with 688; adduct linked to 623_[M+FA-H]- 0.75 True 9.96 863.58899 C47H80O10 MGDG VGNQXBFQKVDWKV-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCCCCC=CCC=CCC=CCC)COC1OC(CO)C(O)C(O)C1O)CCCCCCCC=CCC=CCCCCC 410 True True True False False null null 100 99.9 45.6 87.3 100 222.22 YILU0370-neg-3 863.58923:10990 864.59258:9356 865.59594:2294 59.01404:275 71.01272:79 127.00291:57 235.0815:128 253.09171:240 277.21658:1246 279.23221:1586 280.23218:90 281.25:61 303.22729:51 305.24808:1759 307.26416:2149 513.30731:127 515.32123:64 541.34088:127 543.35089:254 803.56512:287 863.58057:94 0 0 0 0 79424 78003 76882 80807 86051 81065 89220 89999 89309 76652 75300 76126 0 80372.1393229167 82767.8046875 0 3212.69398050354 7402.75321705065 646 8.576 864.6593 w/o MS2:AHexCer (O-18:2)12:1;2O/14:0;O [M-H]- ion correlated with 849; ion correlated with 847 0.688 False 10.74 864.65698 C50H91NO10 AHexCer JASUVCXYFQYKKD-UHFFFAOYSA-N O=C(OC1C(OCC(NC(=O)C(O)CCCCCCCCCCCC)C(O)C=CCCCCCCC)OC(CO)C(O)C1O)CCCCCCCC=CCC=CCCCCC 530 True True False False False null null 97.3 100 null null null 72.16 YILU0370-neg-2 864.6593:4095 865.66265:2391 866.66601:782 0 0 0 0 34240 34077 33088 32595 33897 29832 29485 28145 28128 28248 30733 29983 0 32954.9547526042 29120.384765625 0 1655.06827865238 1111.05608857086 647 2.104 865.45911 Unknown [M-H]- ion correlated with 692 0.75 True null null null null null null 999 False False False False False null null null null null null null 177.77 YILU0370-neg-1 865.45911:12272 866.46246:5069 867.46582:1416 189.09174:103 207.10234:315 235.08182:90 397.13443:201 415.14728:53 587.22064:61 657.34949:60 675.35675:208 865.45917:4676 0 0 0 0 102378 101244 99799 94096 88587 87611 41560 42845 42161 62322 61633 61717 0 95619.2200520833 52039.7389322917 0 6491.53892050875 10801.4941959086 648 4.622 865.51495 w/o MS2:SMGDG O-10:0_28:7 [M-H]- ion correlated with 273 0.75 True 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 99.9 99.9 null null null 354.38 YILU0370-neg-1 865.51495:22371 866.5183:14806 867.52166:4767 409.48618:51 844.98431:55 865.29016:66 865.51434:16391 865.66235:153 865.86243:60 865.88885:64 865.95465:77 865.99847:108 0 0 0 0 141558 131942 132840 140181 140649 140655 140988 142854 143030 124556 115518 120627 0 137970.8984375 131262.334635417 0 4354.19348013792 12437.1441417041 649 7.022 865.60498 w/o MS2:ADGGA 16:2_12:0_12:0 [M-H]- ion correlated with 521; ion correlated with 712 0.75 False 10.72 865.60468 C49H86O12 ADGGA WUHZCUPTZMRSTE-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCCCCCC)COC1OC(C(=O)O)C(O)C(O)C1OC(=O)CCCCCCCC=CCC=CCCC)CCCCCCCCCCC 530 True True False False False null null 100 99.9 null null null 145.9 YILU0372-neg-3 865.60498:8088 866.60833:5593 867.61169:1612 0 0 0 0 66176 62016 59822 68106 65936 65274 65459 69987 68492 55163 57404 56780 0 64555.12109375 62213.8736979167 0 3049.71062721387 6522.8552110175 650 4.887 867.52893 w/o MS2:SMGDG O-10:0_28:6 [M-H]- ion correlated with 728; ion correlated with 898 0.75 False 8.4 867.52979 C47H80O12S EtherSMGDG TYNCBXIXNANTLQ-UHFFFAOYSA-N O=C(OC(COCCCCCCCCCC)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 99.6 99.9 null null null 123.42 YILU0371-neg-2 867.52893:6653 868.53228:5093 869.53564:1679 0 0 0 0 40751 39591 41273 41795 42896 40205 40487 41533 42896 36430 36086 37512 0 41085.2486979167 39157.4192708333 0 1178.01817053018 2862.23407568317 651 7.169 867.61957 w/o MS2:ADGGA 16:1_12:0_12:0 [M+Hac-H]- ion correlated with 153; ion correlated with 713; adduct linked to 628_[M+FA-H]- 0.75 False 11.65 867.6203 C49H88O12 ADGGA WCTUVKSWKCCMDG-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCCCCCC)COC1OC(C(=O)O)C(O)C(O)C1OC(=O)CCCCCCCC=CCCCCCC)CCCCCCCCCCC 530 True True False False False null null 99.7 99.9 null null null 85.24 YILU0372-neg-3 867.61957:6809 868.62292:4261 869.62628:1350 0 0 0 0 43399 44517 43687 44753 45320 44842 46678 44556 48997 40908 35934 37851 0 44419.7141927083 42487.248046875 0 733.27042550166 5121.66528753371 652 5.851 869.54138 w/o MS2:MGDG 17:3_22:6 [M+FA-H]- ion correlated with 905; ion correlated with 787; ion correlated with 196; adduct linked to 661_[M+CH3COO]- 0.438 False 8.63 869.54211 C48H74O10 MGDG GSVHFTSIOVPQLS-UHFFFAOYSA-N O=C(OCC(OC(=O)CCC=CCC=CCC=CCC=CCC=CCC=CCC)COC1OC(CO)C(O)C(O)C1O)CCCCCCC=CCC=CCC=CCC 530 True True False False False null null 99.7 100 null null null 65.14 YILU0372-neg-3 869.54138:3635 870.54473:2651 871.54809:700 0 0 0 0 18941 18146 18038 19655 19591 19790 22134 22477 23008 19571 19829 20081 0 19027.03125 21183.4111328125 0 781.80445880687 1520.169890302 653 5.243 869.54535 w/o MS2:SMGDG O-10:0_28:5 [M+FA-H]- adduct linked to 539_[M-H2O-H]- 0.625 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 100 99.9 null null null 66.29 YILU0370-neg-2 869.54535:3538 870.5487:1985 871.55206:620 0 0 0 0 32979 32078 33715 30669 31097 30211 29669 31384 30255 27474 29239 29592 0 31791.611328125 29602.3753255208 0 1373.60678203977 1285.86707615179 654 8.621 869.55933 w/o MS2:RIKEN N-VS1 ID-7159 from Mouse_Feces_WT_ABX_Ctr [M-H]- 0.75 True 12.97 869.5636 Unknown 530 True True False False False null null 97 99.9 null null null 371.49 YILU0372-neg-3 869.55933:24945 870.56268:21709 871.56604:4784 141.01724:50 158.94839:78 158.97421:216 159.95403:73 159.97348:121 393.13101:57 445.20047:57 504.21521:252 518.22864:93 519.24036:219 809.54047:52 809.66156:71 869.33746:72 869.41754:122 869.55927:16200 869.68109:139 869.72021:84 869.86121:54 869.91522:53 235 0 0 0 157050 156782 152631 127953 126378 128127 198022 198488 201547 115351 123005 115953 58.6740570068359 141486.78125 158727.626302083 117.348114013672 15428.9498146055 44599.9033536628 655 7.977 870.6145 w/o MS2:AHexCer (O-20:5)12:1;2O/13:1;O [M-H]- 0.75 True 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 96.9 100 null null null 382.13 YILU0371-neg-1 870.6145:21154 871.61785:14394 872.62121:4596 71.01387:51 98.93848:80 100.9337:1894 156.97993:61 158.85577:51 158.97502:12819 159.06491:51 159.97406:80 185.03505:50 0 0 0 0 158123 155908 155546 160925 155511 146748 144844 140139 132754 138122 127403 126694 0 155460.322916667 134992.671875 0 4755.24231456004 7277.65289922222 656 8.957 870.64984 w/o MS2:HexCer 16:1;2O/30:6;O [M-H]- ion correlated with 612; ion correlated with 424; adduct linked to 626_[M-H2O-H]- 0.75 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 94.5 100 null null null 339.75 YILU0370-neg-1 870.64984:20051 871.65319:16169 872.65655:4780 239 0 0 0 147923 143289 140188 134351 135692 131008 116614 112013 107732 118434 107683 115984 59.8243751525879 138741.772135417 113076.678385417 119.648750305176 6252.33179633529 4657.25908235374 657 6.27 871.55933 w/o MS2:MGDG 17:2_22:6 [M+FA-H]- adduct linked to 662_[M+CH3COO]- 0.75 True 9.09 871.55768 C48H76O10 MGDG RZQDBFHMWNUIDB-UHFFFAOYSA-N O=C(OCC(OC(=O)CCC=CCC=CCC=CCC=CCC=CCC=CCC)COC1OC(CO)C(O)C(O)C1O)CCCCCCCC=CCC=CCCCC 530 True True False False False null null 99.6 100 null null null 890.43 YILU0372-neg-3 871.55933:50609 872.56268:39125 873.56604:10936 44.9978:3926 235.08197:216 253.05463:63 253.09361:427 259.24359:255 285.22287:191 303.23337:22177 303.53656:60 304.23599:241 539.26752:88 539.32153:1048 825.55005:523 871.55542:1007 0 0 0 0 299726 294403 295796 296611 306338 306618 362901 360206 364396 311849 312637 310650 0 299915.296875 337106.598958333 0 5375.75369740251 27857.622475384 658 5.445 871.56238 w/o MS2:SMGDG O-10:0_28:4 [M-H]- 0.75 True 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 99.7 99.9 null null null 597.31 YILU0370-neg-1 871.56238:32061 872.56573:23578 873.56909:6978 123.01118:132 148.95909:57 225.00813:85 559.26001:59 871.34314:86 871.56189:20982 871.81976:56 871.96735:58 0 0 0 0 220306 216084 214222 211305 215093 211030 204011 207044 203784 190409 196103 192584 0 214673.203125 198989.098958333 0 3426.74793868092 6871.21451208309 659 8.434 872.62854 w/o MS2:AHexCer (O-20:5)12:1;2O/13:0;O [M-H]- 0.75 True 9.76 872.62567 C51H87NO10 AHexCer FWJILUUQCIEFFM-UHFFFAOYSA-N O=C(OC1C(OCC(NC(=O)C(O)CCCCCCCCCCC)C(O)C=CCCCCCCC)OC(CO)C(O)C1O)CCCC=CCC=CCC=CCC=CCC=CCC 530 True True False False False null null 98.7 100 null null null 291.18 YILU0370-neg-1 872.62854:17779 873.63189:14380 874.63525:4076 59.0132:59 99.92582:65 100.93402:2247 112.34539:54 116.92778:56 158.93983:137 158.97496:10959 159.01784:57 159.97665:124 426.36731:58 872.51666:79 0 0 0 0 123318 118849 116779 114420 110552 107145 82784 81508 80713 89608 85924 84379 0 115177.295572917 84152.7083333333 0 5810.17266086036 3275.24916403551 660 5.828 873.5769 w/o MS2:SMGDG O-10:0_28:3 [M-H2O-H]- ion correlated with 721; ion correlated with 867; ion correlated with 362; adduct linked to 721_[M+Hac-H]- 0.75 False 9.38 873.57672 C47H86O12S EtherSMGDG MOTYNBDYRRRSOU-UHFFFAOYSA-N O=C(OC(COCCCCCCCCCC)COC1OC(CO)C(O)C(OS(=O)(=O)O)C1O)CCCCCCCCCCCCC=CCC=CCC=CCCCCCCC 530 True True False False False null null 100 99.9 null null null 100.34 YILU0370-neg-3 873.5769:6027 874.58025:4328 875.58361:1203 0 0 0 0 38925 37764 41400 38946 39547 39269 37804 38407 36780 32274 34194 36292 0 39308.5924479167 35958.3912760417 0 1191.53219981971 2318.19837515207 661 5.848 883.55835 MGDG 40:9|MGDG 20:4_20:5 [M+CH3COO]- adduct linked to 652_[M+FA-H]- 0.75 True 8.95 883.55768 C49H76O10 MGDG SRQQTDGQKLMJJH-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCC=CCC=CCC=CCC=CCC=CCC)COC1OC(CO)C(O)C(O)C1O)CCCCCCC=CCC=CCC=CCC=CCC 410 True True True False False null null 100 100 90.2 69.3 100 142.29 YILU0372-neg-2 883.55829:13672 884.56164:9785 885.565:2262 59.01461:242 133.99181:57 253.09137:344 257.22757:71 259.24338:62 283.20688:75 285.22229:51 301.21664:3506 302.21225:62 303.23303:4295 537.30316:156 539.32074:340 823.53088:103 0 0 0 0 64080 66812 64369 72439 74024 72448 92808 90266 90239 74742 68197 72037 0 69028.6985677083 81381.42578125 0 4458.61160123273 10892.1817134831 662 6.269 885.57446 MGDG 40:8|MGDG 20:4_20:4 [M+CH3COO]- adduct linked to 579_[M-H]-; adduct linked to 657_[M+FA-H]- 0.75 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 92.1 59.5 100 2161.79 YILU0372-neg-2 885.57373:145812 886.57708:105154 887.58044:33188 59.01406:2380 89.02509:64 95.04878:100 143.03452:66 157.05144:89 205.19458:100 235.08189:881 253.09277:2836 254.09683:50 259.24246:770 285.22101:386 302.06635:57 303.23355:118282 303.80283:115 304.03671:58 304.15781:67 304.23608:1677 304.27759:55 304.38882:52 521.31348:78 539.20203:124 539.32129:6129 540.32434:136 825.55115:1044 885.56787:260 885.6134:72 0 0 0 0 796072 788625 778946 843191 854973 869568 1043497 1046009 1051380 850188 825479 838842 0 821895.760416667 942565.864583333 0 38571.2537401442 114655.823436406 663 6.541 887.59003 w/o MS2:MGDG 18:1_22:6 [M-H]- ion correlated with 879; ion correlated with 428 0.75 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 99.5 99.9 null null null 128.85 YILU0372-neg-3 887.59003:8286 888.59338:4948 889.59674:1470 0 0 0 0 54303 53264 54665 56835 58137 56520 66808 73440 69880 56643 53449 55964 0 55620.7395833333 62697.2194010417 0 1834.11836920263 8383.53633799942 664 4.561 889.51477 SQDG 40:8|SQDG 20:4_20:4 [M-H]- 0.75 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 410 True True True False False null null 100 99.9 94.2 89.4 100 236.4 YILU0371-neg-1 889.51447:13063 890.51782:10312 891.52118:3075 225.00507:120 303.22644:53 585.27356:60 721.52307:69 889.36768:104 889.51447:11713 889.65515:61 889.95813:54 0 0 0 0 70314 74465 74575 79746 78599 79394 83892 81508 79189 63621 63037 62811 0 76182.3033854167 72342.931640625 0 3710.16965133469 10176.3895185054 665 6.078 889.54352 w/o MS2:PG 18:1_22:3;4O [M-H]- ion correlated with 700; ion correlated with 354; ion correlated with 739 0.125 False 7.86 889.5448 C46H83O14P OxPG ABTHGIXARFAYPX-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCC(O)CCC(O)C(O)C=CCC=CCC=CCCCC(O)C)COP(=O)(O)OCC(O)CO)CCCCCCCC=CCCCCCCCC 530 True True False False False null null 99.2 100 null null null 65.51 YILU0371-neg-1 889.54352:3338 890.54687:2613 891.55023:1057 0 0 0 0 25065 26658 26044 26434 24309 25167 27830 25939 27140 18678 25895 22247 0 25612.7347005208 24621.611328125 0 911.332566292804 3491.45337906453 666 6.377 889.54767 w/o MS2:DGGA 22:5_22:6 [M-H]- ion correlated with 714 0.062 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 73.11 YILU0371-neg-3 889.54767:3687 890.55102:2491 891.55438:1038 0 0 0 0 22573 27948 26475 28902 24175 27742 23671 30996 24088 32302 39753 27833 0 26302.6676432292 29773.8352864583 0 2449.57100610779 6013.34221397668 667 6.51 891.55823 w/o MS2:PG 18:0_22:3;4O [M-H]- 0.125 False 8.09 891.56042 C46H85O14P OxPG FJMWBIURJRWCMK-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCC(O)CCC(O)C(O)C=CCC=CCC=CCCCC(O)C)COP(=O)(O)OCC(O)CO)CCCCCCCCCCCCCCCCC 530 True True False False False null null 97.6 100 null null null 47.29 YILU0372-neg-3 891.55823:3834 892.56158:3432 893.56494:3526 0 0 0 0 29669 30851 29236 25647 28539 26160 35708 30066 38173 30271 31030 27443 0 28350.3151041667 32115.27734375 0 2045.3782042763 4005.27174092557 668 6.467 893.5589 w/o MS2:PI O-12:0_28:7 [M-H]- ion correlated with 128; ion correlated with 691; ion correlated with 461; ion correlated with 501; ion correlated with 375 0.75 False 8.45 893.55487 C49H83O12P EtherPI YNPWJJYPGXZSLZ-UHFFFAOYSA-N O=C(OC(COCCCCCCCCCCCC)COP(=O)(O)OC1C(O)C(O)C(O)C(O)C1O)CCCCCC=CCC=CCC=CCC=CCC=CCC=CCC=CCC 530 True True False False False null null 92.2 100 null null null 72.65 YILU0373-neg-1 893.5589:4758 894.56225:2152 895.56561:811 0 0 0 0 42243 43731 41553 42760 43202 41844 43696 42656 44240 44203 39132 42797 0 42555.45703125 42787.3001302083 0 830.688716936616 1914.15721397904 669 7.507 894.62231 w/o MS2:PC O-18:0_22:6;1O [M-H]- 0.75 True 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 99.9 100 null null null 137.01 YILU0371-neg-1 894.62231:8104 895.62566:6096 896.62902:1405 158.97327:59 503.35025:82 807.58594:232 894.47162:69 894.62054:5726 894.72595:53 0 0 0 0 46265 43902 44242 49760 48893 42913 45479 41625 35509 34042 36710 33048 0 45995.900390625 37735.4205729167 0 2814.2926227935 4831.69259695428 670 6.888 895.5752 w/o MS2:PI O-12:0_28:6 [M-H]- ion correlated with 877 0.75 False 8.62 895.57062 C49H85O12P EtherPI FKTLSTTWEKQCJR-UHFFFAOYSA-N O=C(OC(COCCCCCCCCCCCC)COP(=O)(O)OC1C(O)C(O)C(O)C(O)C1O)CCCCCCCCC=CCC=CCC=CCC=CCC=CCC=CCC 530 True True False False False null null 90.1 100 null null null 83.48 YILU0371-neg-2 895.5752:4382 896.57855:2515 897.58191:633 0 0 0 0 33723 34246 33456 33558 34762 33232 33840 35102 35464 30793 30670 32651 0 33829.5279947917 33086.4996744792 0 569.910527364201 2077.18904489515 671 7.115 896.60785 w/o MS2:PC O-17:0_22:6;2O [M+FA-H]- adduct linked to 683_[M+Hac-H]- 0.75 False 8.55 896.60217 C47H84NO9P EtherOxPC MUULNRLCUMTRSF-UHFFFAOYSA-N O=C(OC(COCCCCCCCCCCCCCCCCC)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 85.1 100 null null null 78.41 YILU0370-neg-1 896.60785:4431 897.6112:2843 898.61456:854 0 0 0 0 31033 30737 29398 27931 30187 27522 25739 29219 25793 24980 23675 24660 0 29467.9391276042 25677.7623697917 0 1465.15122021721 1902.15844148369 672 5.736 897.5755 w/o MS2:SMGDG O-12:0_28:5 [M-H]- ion correlated with 620 0.688 False 9.11 897.57672 C49H86O12S EtherSMGDG RLBDVADPSHNHMD-UHFFFAOYSA-N O=C(OC(COCCCCCCCCCCCC)COC1OC(CO)C(O)C(OS(=O)(=O)O)C1O)CCCCCCCCCCCC=CCC=CCC=CCC=CCC=CCC 530 True True False False False null null 99.3 99.9 null null null 95.1 YILU0372-neg-2 897.5755:5030 898.57885:3954 899.58221:1463 0 0 0 0 31253 33882 31819 31289 33966 33152 32661 33610 33497 30337 29131 31183 0 32560.2161458333 31736.5686848958 0 1260.74711544512 1817.47251029797 673 5.835 897.5755 w/o MS2:SMGDG O-12:0_28:5 [M-H]- 0.062 False 9.11 897.57672 C49H86O12S EtherSMGDG RLBDVADPSHNHMD-UHFFFAOYSA-N O=C(OC(COCCCCCCCCCCCC)COC1OC(CO)C(O)C(OS(=O)(=O)O)C1O)CCCCCCCCCCCC=CCC=CCC=CCC=CCC=CCC 530 True True False False False null null 99.3 99.9 null null null 90.01 YILU0373-neg-2 897.5755:4500 898.57885:2429 899.58221:920 0 0 0 0 31253 33882 31819 31289 3695 2354 1965 1894 33497 2260 29131 31183 0 22381.9777018229 16655.0430704753 0 15031.160232624 16070.3319481001 674 6.846 897.89447 Unknown [M-H]- 0.062 False null null null null null null 999 False False False False False null null null null null null null 60.56 YILU0373-neg-1 897.89447:3028 898.89782:2069 899.90118:585 0 0 0 0 13047 14560 13438 17261 15798 14702 13804 13023 12164 20308 10326 17301 0 14800.8483072917 14487.779296875 0 1552.33014317543 3664.13103154746 675 2.049 901.43518 Unknown [M-H]- 0.062 False null null null null null null 999 False False False False False null null null null null null null 66.28 YILU0370-neg-3 901.43518:3314 902.43853:1854 903.44189:1751 0 0 0 0 22301 19971 25138 15711 17166 18241 13206 14373 13465 16461 17322 15710 0 19754.6702473958 15089.6142578125 0 3488.60669113613 1670.04372792426 676 1.458 901.46124 w/o MS2:PI 14:0_22:6;3O [M-H]- 0.688 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 83.7 99.8 null null null 259.02 YILU0370-neg-3 901.46124:19112 902.46459:16194 903.46795:7953 421.22662:147 522.14496:63 537.21973:104 581.20624:52 613.23065:13219 613.35828:54 613.435:69 613.51715:53 614.17627:81 614.23529:432 901.45624:298 0 0 0 0 140439 140275 138245 122577 122652 114030 14775 22553 23036 85518 80885 91247 0 129703.270833333 53002.3738606771 0 11367.6752246685 36287.3976871686 677 7.831 901.54694 w/o MS2:PI 16:0_22:4;1O [M-H]- 0.75 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 97.7 100 null null null 83.31 YILU0373-neg-3 901.54694:5145 902.55029:4791 903.55365:1640 1021 0 0 0 28222 25972 33989 36909 35907 36736 37787 35528 36738 35476 35986 36432 255.21452331543 32955.845703125 36324.3815104167 510.429046630859 4709.14667955254 870.645417479999 678 7.011 901.54797 w/o MS2:PI 16:0_22:4;1O [M-H]- 0.75 True 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 98.5 100 null null null 136.5 YILU0370-neg-2 901.54797:10532 902.55132:6579 903.55468:2886 123.0077:74 158.97681:104 869.52258:168 901.33313:64 901.43579:95 901.54877:4621 0 0 0 0 97717 99797 99282 74127 70642 70251 85846 78571 80812 76637 68262 68027 0 85302.6380208333 76359.2708333333 0 15006.5916531292 7068.01612980946 679 2.369 905.47192 w/o MS2:PI 15:0_20:5;4O [M-H]- 0.25 False 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 88.2 99.9 null null null 72.19 YILU0370-neg-3 905.47192:4029 906.47527:4232 907.47863:2194 0 0 0 0 18591 17750 25151 16280 14550 17885 23764 18204 18094 20002 21114 16795 0 18367.9767252604 19662.0621744792 0 3622.53707806639 2523.92918463672 680 7.417 905.63928 w/o MS2:SMGDG O-12:0_28:1 [M-H]- 0.438 False 12.08 905.63928 C49H94O12S EtherSMGDG TZNDKTNNZXARCU-UHFFFAOYSA-N O=C(OC(COCCCCCCCCCCCC)COC1OC(CO)C(O)C(OS(=O)(=O)O)C1O)CCCCCCCCCCCCCCCC=CCCCCCCCCCC 530 True True False False False null null 100 99.9 null null null 66.69 YILU0371-neg-1 905.63928:3747 906.64263:3041 907.64599:1106 0 0 0 0 21001 19580 18534 24386 21748 21369 22534 21544 19407 20631 17253 16929 0 21103.1324869792 19716.1969401042 0 2009.79847418657 2282.54551103239 681 4.425 907.54364 w/o MS2:SMGDG O-13:0_28:7 [M-H]- ion correlated with 753; adduct linked to 726_[M+FA-H]-; adduct linked to 753_[M+Hac-H]-; similar chromatogram in higher mz_756; found in higher mz's MsMs_726 0.75 True 8.69 907.5611 C50H84O12S EtherSMGDG UAHJDCQMMPKOOW-UHFFFAOYSA-N O=C(OC(COCCCCCCCCCCCCC)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 76.4 99.9 null null null 358.42 YILU0370-neg-2 907.54364:19974 908.54699:13318 909.55035:3649 101.02195:70 249.18596:348 277.21603:500 379.12204:172 397.13391:480 629.31659:382 647.32312:277 657.34491:351 675.36121:316 907.54071:7031 907.69427:61 0 0 0 0 146863 148480 150610 146124 144246 143474 113209 115194 117934 126728 122758 125578 0 146632.947916667 120233.712239583 0 2653.97283636785 5606.13226203147 682 4.903 909.55774 w/o MS2:PI 18:3_22:3 [M-H]- ion correlated with 754; adduct linked to 754_[M+Hac-H]-; adduct linked to 728_[M+FA-H]- 0.75 True 8.38 909.54993 C49H83O13P PI NJVZVFXSLABFSG-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCCCC=CCC=CCC=CCCCCC)COP(=O)(O)OC1C(O)C(O)C(O)C(O)C1O)CCCCCCCC=CCC=CCC=CCC 530 True True False False False null null 73.8 99.9 null null null 291.5 YILU0370-neg-1 909.55774:17220 910.56109:11025 911.56445:3013 249.18623:75 251.20107:275 253.09161:51 277.19086:51 277.2171:372 379.12259:322 397.13446:340 629.31427:89 631.26581:50 631.33398:448 649.34277:155 657.29706:66 657.35052:359 675.35999:120 909.37592:78 909.45068:122 909.55774:7163 909.72076:50 0 0 0 0 116081 112809 116601 104813 110147 104786 84060 85532 84835 90008 87213 91204 0 110872.876302083 87141.7526041667 0 5253.30996011527 2902.82701491279 683 7.118 910.62335 w/o MS2:PC O-18:0_22:6;2O [M+Hac-H]- ion correlated with 566; ion correlated with 831; ion correlated with 651; adduct linked to 671_[M+FA-H]- 0.75 False 8.93 910.61792 C48H86NO9P EtherOxPC XLKXKGCIQMKPTQ-UHFFFAOYSA-N O=C(OC(COCCCCCCCCCCCCCCCCCC)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 86.3 100 null null null 102.73 YILU0370-neg-3 910.62335:5583 911.6267:3584 912.63006:1055 0 0 0 0 36603 36303 38973 37562 37443 37428 36810 35742 35730 32751 30725 32731 0 37385.3860677083 34081.3017578125 0 931.971930040756 2357.18033325117 684 5.383 911.57404 Unknown [M-H]- ion correlated with 844; ion correlated with 899; adduct linked to 757_[M+Hac-H]- 0.75 False null null null null null null 999 False False False False False null null null null null null null 92.49 YILU0370-neg-3 911.57404:5453 912.57739:2750 913.58075:780 0 0 0 0 40266 41866 43645 38524 41028 37110 32550 34261 32188 35904 33339 34980 0 40406.521484375 33870.4026692708 0 2342.28077670563 1440.27960167899 685 1.688 913.45941 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 71.6 YILU0372-neg-3 913.45972:3832 914.46307:2734 915.46643:1611 225.22173:67 271.22882:83 913.36194:96 913.45752:1791 0 0 0 0 17328 15851 19991 15134 12449 14120 20476 19069 19196 16060 17347 15486 0 15812.1944986979 17939.0734049479 0 2623.12379907023 1958.96330572119 686 5.928 913.59161 w/o MS2:SMGDG O-23:1_18:3 [M-H]- ion correlated with 619; adduct linked to 758_[M+Hac-H]-; found in higher mz's MsMs_758; adduct linked to 730_[M+FA-H]-; found in higher mz's MsMs_730 0.75 True 10.51 913.60797 C50H90O12S EtherSMGDG DVSAUFDINVCQCU-UHFFFAOYSA-N O=C(OC(COCCCCCCCCCCCC=CCCCCCCCCCC)COC1OC(CO)C(O)C(OS(=O)(=O)O)C1O)CCCCCCCC=CCC=CCC=CCC 530 True True False False False null null 78 99.9 null null null 1132.73 YILU0371-neg-2 913.59161:58955 914.59496:42907 915.59832:11339 59.01129:72 89.0238:122 101.02436:113 112.98704:64 125.02355:108 161.04553:190 199.06064:71 221.06728:57 235.08141:163 255.23225:835 259.08328:70 277.21646:893 287.07855:87 305.08871:88 323.09784:163 379.09247:102 379.12381:687 397.11292:80 397.13562:1143 415.14691:152 417.28519:57 635.36328:2079 636.36426:140 653.37341:836 657.29138:50 657.34955:1399 658.35205:82 675.35968:703 913.3432:62 913.37909:91 913.58948:20781 913.83533:63 913.96643:79 914.06293:66 0 0 0 0 466145 460941 457161 468834 471568 460764 456708 453620 455703 437463 436344 434156 0 464235.432291667 445665.776041667 0 5504.83388860903 10701.3912307695 687 6.347 915.60577 w/o MS2:SMGDG O-23:1_18:2 [M-H]- ion correlated with 734; adduct linked to 759_[M+Hac-H]-; found in higher mz's MsMs_759; adduct linked to 734_[M+FA-H]-; similar chromatogram in higher mz_828; found in higher mz's MsMs_734 0.75 True 11.41 915.62372 C50H92O12S EtherSMGDG QOWFNCKZOHIKBY-UHFFFAOYSA-N O=C(OC(COCCCCCCCCCCCC=CCCCCCCCCCC)COC1OC(CO)C(O)C(OS(=O)(=O)O)C1O)CCCCCCCC=CCC=CCCCCC 530 True True False False False null null 76 99.9 null null null 509.76 YILU0372-neg-2 915.60577:26571 916.60912:16653 917.61248:4615 43.14185:71 89.02504:70 112.98464:137 125.02432:67 161.04568:57 255.2314:376 269.06967:57 279.2319:406 287.07916:71 305.07047:63 379.12311:661 397.13525:599 415.14203:58 635.36469:454 653.37018:373 659.36249:676 677.37695:203 915.46155:118 915.60461:9733 915.76837:56 0 0 0 0 187416 190307 185076 190682 187172 184792 184211 190605 188164 175728 164678 172036 0 187574.0625 179236.940104167 0 2501.93412013664 10097.6660308435 688 6.606 917.54474 w/o MS2:SMGDG O-16:2_26:7 [M-H]- ion correlated with 645 0.75 False 8.25 917.54541 C51H82O12S EtherSMGDG QDBMDSRPOSRVFO-UHFFFAOYSA-N O=C(OC(COCCCCCCCCC=CCC=CCCC)COC1OC(CO)C(O)C(OS(=O)(=O)O)C1O)CCCC=CCC=CCC=CCC=CCC=CCC=CCC=CCC 530 True True False False False null null 99.8 100 null null null 202 YILU0371-neg-2 917.54474:12030 918.54809:10278 919.55145:3650 0 0 0 0 70715 71505 70441 89083 91988 84977 80104 83348 81755 72502 72638 72839 0 79784.7473958333 77197.7096354167 0 10004.5440134072 5076.76725650719 689 6.083 917.55579 w/o MS2:PI O-16:2_26:7 [M-H2O-H]- ion correlated with 194; adduct linked to 700_[M-H]- 0.75 False 8.23 917.55487 C51H83O12P EtherPI UMSBBGTWARWFNI-UHFFFAOYSA-N O=C(OC(COCCCCCCCCC=CCC=CCCC)COP(=O)(O)OC1C(O)C(O)C(O)C(O)C1O)CCCC=CCC=CCC=CCC=CCC=CCC=CCC=CCC 530 True True False False False null null 99.6 100 null null null 88.03 YILU0372-neg-2 917.55579:4700 918.55914:3234 919.5625:1177 0 0 0 0 36676 39645 38021 36296 35290 37265 40538 41094 39684 42482 38074 37020 0 37198.8307291667 39815.3899739583 0 1509.49040737316 2006.55163065567 690 6.526 919.57178 w/o MS2:PI O-14:1_28:7 [M-H]- ion correlated with 886 0.25 False 8.49 919.57062 C51H85O12P EtherPI HTYADDATXHZAKO-UHFFFAOYSA-N O=C(OC(COCCCCCCCCC=CCCCC)COP(=O)(O)OC1C(O)C(O)C(O)C(O)C1O)CCCCCC=CCC=CCC=CCC=CCC=CCC=CCC=CCC 530 True True False False False null null 99.3 100 null null null 66.63 YILU0372-neg-3 919.57178:3591 920.57513:2042 921.57849:718 0 0 0 0 25977 23980 24090 26169 23526 25256 25517 24862 25745 22657 21267 24302 0 24832.7428385417 24058.2796223958 0 1118.91631306015 1757.03303041427 691 6.461 923.51788 w/o MS2:PI 14:0_22:3;4O [M-H]- ion correlated with 128; ion correlated with 461; ion correlated with 668; ion correlated with 501; ion correlated with 375; adduct linked to 767_[M+Hac-H]- 0.75 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 92.4 100 null null null 74.1 YILU0372-neg-3 923.51788:4882 924.52123:4186 925.52459:2162 0 0 0 0 41723 40228 41022 38966 40672 40935 37996 38229 39977 35972 35197 35341 0 40591.1236979167 37118.7604166667 0 934.663839229093 1915.34367762923 692 2.094 925.4801 w/o MS2:PI 16:2_22:6;3O [M-H]- ion correlated with 647 0.75 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 90.8 99.9 null null null 152 YILU0370-neg-2 925.4801:10188 926.48345:5240 927.48681:1352 71.01273:66 189.09045:138 207.10323:133 397.12634:61 605.23792:54 865.35175:193 865.45947:4945 866.24323:57 866.46094:133 925.48248:237 0 0 0 0 79056 82206 80176 71984 68231 68776 38929 38342 38754 51415 50700 50957 0 75071.5950520833 44849.4986979167 0 6144.82580382559 6770.50320770644 693 7.109 928.58252 w/o MS2:PE 15:4_36:10 [M-H]- ion correlated with 537 0.75 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 234.34 YILU0370-neg-2 928.58252:13502 929.58587:11960 930.58923:3483 0 0 0 0 82785 83720 79665 78724 77525 73630 69189 67306 66376 62145 61758 60545 0 79341.5638020833 64553.2727864583 0 3672.29147162554 3523.33777169996 694 7.456 929.49146 Unknown [M+FA-H]- ion correlated with 611; adduct linked to 709_[M+Hac-H]-; similar chromatogram in higher mz_763 0.562 False null null null null null null 999 False False False False False null null null null null null null 38.9 YILU0371-neg-2 929.49146:5182 930.49481:5500 931.49817:2563 0 0 0 0 31940 30461 29758 34712 33772 34105 25145 26638 24762 32178 29140 29988 0 32457.7845052083 27975.2639973958 0 2052.38827494061 2939.20250408422 695 10.261 931.79138 w/o MS2:SM 12:0;2O/34:0 [M-H]- similar chromatogram in higher mz_760 0.75 True 13.53 931.78491 C51H105N2O6P SM JKXOQHGSHCMQTH-UHFFFAOYSA-N O=C(NC(COP(=O)([O-])OCC[N+](C)(C)C)C(O)CCCCCCCCC)CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC 530 True True False False False null null 94.2 99.9 null null null 165.98 YILU0372-neg-1 931.79138:9175 932.79473:11518 933.79809:3387 318.22137:51 931.54419:87 931.67352:87 931.78949:8608 931.87897:84 931.96143:51 932.17676:54 932.21765:56 932.26862:50 0 0 0 0 53631 53509 51222 54612 56270 50659 56934 56377 55980 48170 43001 43661 0 53317.1321614583 50687.3020833333 0 2096.92168969655 6545.2580098641 696 1.458 933.46448 w/o MS2:PI 14:1_22:5;4O [M-H]- 0.312 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 96.5 99.9 null null null 41.81 YILU0370-neg-3 933.46448:3349 934.46783:2407 935.47119:1663 0 0 0 0 23932 23796 27151 26638 25147 25671 18706 22170 21102 21986 22491 20520 0 25389.1188151042 21162.5113932292 0 1375.51273100963 1407.70709309858 697 7.03 933.57324 w/o MS2:MGDG 22:6_22:6 [M-H]- 0.062 False 9.35 933.57343 C53H78O10 MGDG WSVOBIJCTPAIGZ-UHFFFAOYSA-N O=C(OCC(OC(=O)CCC=CCC=CCC=CCC=CCC=CCC=CCC)COC1OC(CO)C(O)C(O)C1O)CCC=CCC=CCC=CCC=CCC=CCC=CCC 530 True True False False False null null 100 100 null null null 115.08 YILU0372-neg-3 933.57324:5768 934.57659:3766 935.57995:1425 0 0 0 0 33357 35141 33185 34793 34269 35226 53495 49498 48590 36643 34473 35768 0 34328.6139322917 43077.7408854167 0 887.312311512538 8354.65947907414 698 10.601 933.72467 w/o MS2:NAGlySer 25:1;O(FA 28:6) [M-H]- 0.062 False 13 933.7301 C58H98N2O7 NAGlySer LSWLBXCUXOTPGD-UHFFFAOYSA-N O=C(OC(CCCCCC=CCCCCCCCCC)CCCCCCCC(=O)NCC(=O)NC(C(=O)O)CO)CCCCCCCCC=CCC=CCC=CCC=CCC=CCC=CCC 530 True True False False False null null 86.3 100 null null null 83.12 YILU0361-neg-2 933.72467:4538 934.72802:3585 935.73138:1486 68818 178334 168297 179406 95675 95492 98943 89984 93562 94661 57699 53189 93909 95926 92899 95907 148713.669921875 94719.390625 81588.3912760417 53498.2672437224 2936.7379009044 20334.8574146729 699 7.034 934.57599 w/o MS2:SHexCer 45:8;3O [M-H]- 0.125 False 8.13 934.57202 C51H85NO12S SHexCer ILALTLPBZMPPLE-UHFFFAOYSA-N O=C(NC(COC1OC(CO)C(O)C(OS(=O)(=O)O)C1O)C(O)C=CCCC=CCCCCCCCC)C(O)CCCCCCCC=CCC=CCC=CCC=CCC=CCC=CCC 530 True True False False False null null 92.4 100 null null null 66.1 YILU0372-neg-1 934.57599:3329 935.57934:1488 936.5827:525 0 0 0 0 19077 21479 19753 19669 19682 21967 30028 29724 27920 22557 19228 20641 0 20271.0006510417 25016.4332682292 0 1160.72325728392 4783.34814136005 700 6.08 935.52094 Unknown [M-H]- ion correlated with 665; ion correlated with 354; ion correlated with 739; adduct linked to 689_[M-H2O-H]- 0.25 False null null null null null null 999 False False False False False null null null null null null null 64.85 YILU0370-neg-3 935.52094:3416 936.52429:2047 937.52765:1063 0 0 0 0 28216 27113 28792 25448 26070 25351 25544 25598 27662 23794 26187 25969 0 26831.5953776042 25792.1598307292 0 1450.9549975795 1247.07535980124 701 6.464 935.55481 w/o MS2:PI 16:0_22:3;3O [M-H]- 0.625 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 89.8 100 null null null 111.61 YILU0373-neg-1 935.55481:7222 936.55816:5429 937.56152:2266 0 0 0 0 43049 47294 45614 51800 58345 50107 48399 51172 55489 71724 64540 64870 0 49368.2649739583 59365.6608072917 0 5391.84611514943 9080.31577925051 702 5.039 935.57574 w/o MS2:SMGDG O-15:0_28:7 [M-H]- ion correlated with 610; adduct linked to 778_[M+Hac-H]-; found in higher mz's MsMs_778; adduct linked to 764_[M+FA-H]- 0.75 True 10.07 935.59241 C52H88O12S EtherSMGDG QEJBHODRCGOWGH-UHFFFAOYSA-N O=C(OC(COCCCCCCCCCCCCCCC)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 77.8 99.9 null null null 1008.44 YILU0370-neg-3 935.57574:52981 936.57909:45276 937.58245:12825 59.01418:114 87.0073:153 89.02544:79 101.02444:97 125.02344:150 161.04504:155 175.06279:62 235.08058:60 253.09302:72 277.21716:2029 287.07465:121 323.10287:101 379.02213:51 379.12457:1248 380.12601:64 397.13455:981 415.14331:156 417.15707:62 657.34796:4096 658.35443:168 675.35785:1639 935.27753:51 935.40845:186 935.57452:20039 935.72876:139 935.8056:73 935.88586:56 935.9527:111 936.02747:111 0 0 0 0 381470 384307 383760 380026 375098 378682 370268 363698 357386 346282 345731 337793 0 380556.869791667 353526.338541667 0 3428.01758437096 12323.9572067163 703 7.913 937.53314 w/o MS2:RIKEN N-VS1 ID-7967 from Mouse_Kidney_WT_N_F1DHA [M+FA-H]- ion correlated with 315; adduct linked to 719_[M+Hac-H]- 0.625 True 8.69 937.53027 Unknown 530 True True False False False null null 98.8 100 null null null 176.76 YILU0372-neg-2 937.53314:14257 938.53649:14312 939.53985:6218 44.99746:87 154.97353:51 541.20685:69 891.52448:69 936.66327:57 937.53314:8582 937.70111:65 937.82526:58 0 0 0 0 101011 101554 96197 117072 112503 118063 114063 114106 121988 101429 106281 109576 0 107733.395833333 111240.5390625 0 9306.99006041086 7145.85060647701 704 7.537 937.53467 w/o MS2:RIKEN N-VS1 ID-7967 from Mouse_Kidney_WT_N_F1DHA [M-H]- 0.5 True 8.69 937.53027 Unknown 530 True True False False False null null 97.3 100 null null null 237.52 YILU0370-neg-2 937.53467:25403 938.53802:29382 939.54138:13831 44.99748:111 407.58673:56 541.20477:182 937.28265:71 937.37195:170 937.53357:27158 5598 0 0 0 130877 153993 130275 128127 146838 130151 138228 142776 129820 154978 139023 136549 1399.57385253906 136710.299479167 140228.826822917 2799.14770507813 10894.2348369329 8382.78376797036 705 7.71 937.53534 w/o MS2:RIKEN N-VS1 ID-7967 from Mouse_Kidney_WT_N_F1DHA [M-H]- ion correlated with 302; ion correlated with 355 0.75 True 8.69 937.53027 Unknown 530 True True False False False null null 96.4 100 null null null 433.51 YILU0370-neg-1 937.53534:51820 938.53869:47338 939.54205:21656 44.99811:290 526.14661:67 526.18591:103 540.20459:58 541.20801:311 612.22296:66 614.23468:75 891.52338:235 937.36041:176 937.41455:324 937.5332:30003 937.89062:65 937.92761:71 938.01215:79 62 0 0 0 499632 473316 492616 469240 472721 468263 454180 455115 465567 466404 481630 461441 15.5633354187012 479298.119791667 464056.192708333 31.1266708374023 13362.6556686357 10009.6913574033 706 5.522 937.59058 w/o MS2:SMGDG O-15:0_28:6 [M-H]- adduct linked to 783_[M+Hac-H]-; found in higher mz's MsMs_783; adduct linked to 771_[M+FA-H]-; found in higher mz's MsMs_771 0.75 True 10.82 937.60797 C52H90O12S EtherSMGDG BFYSDPGBAGJPPE-UHFFFAOYSA-N O=C(OC(COCCCCCCCCCCCCCCC)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 77 99.9 null null null 456.33 YILU0370-neg-2 937.59058:37016 938.59393:23366 939.59729:6691 101.01807:63 125.02356:117 161.04532:80 235.08174:66 277.21625:614 279.23218:586 293.08371:53 305.08856:52 323.09744:84 379.09012:75 379.12485:511 397.13589:456 627.20142:87 657.3139:85 657.3479:633 659.36346:1155 675.35999:208 677.37695:273 937.39923:82 937.59052:10070 937.75647:69 937.81201:52 937.90704:88 0 0 0 0 274695 282975 279470 274023 276632 276410 269733 280208 275927 257047 241825 257227 0 277367.432291667 263661.151041667 0 3336.23875679638 14304.5902999042 707 6.002 939.60614 w/o MS2:PG 11:0_38:10 [M-H]- adduct linked to 784_[M+Hac-H]-; found in higher mz's MsMs_784; adduct linked to 773_[M+FA-H]- 0.75 False 11.04 939.61212 C55H89O10P PG FMJOSAIGOKFVEO-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCC=CCC=CCC=CCC=CCC=CCC=CCC=CCC=CCC=CCC=CCC)COP(=O)(O)OCC(O)CO)CCCCCCCCCC 530 True True False False False null null 83.6 99.9 null null null 523.8 YILU0371-neg-2 939.60614:27397 940.60949:19530 941.61285:5137 0 0 0 0 206551 208016 203192 205002 208614 207254 201877 200213 195844 193513 184573 189448 0 206438.2421875 194244.638020833 0 2024.94915881273 6534.74544437613 708 6.555 941.62103 w/o MS2:PG 11:0_38:9 [M-H]- ion correlated with 237; adduct linked to 789_[M+Hac-H]-; adduct linked to 776_[M+FA-H]- 0.75 False 11.52 941.62769 C55H91O10P PG HEOXHOIHHGOKMS-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCCCCC=CCC=CCC=CCC=CCC=CCC=CCC=CCC=CCC=CCC)COP(=O)(O)OCC(O)CO)CCCCCCCCCC 530 True True False False False null null 80.1 99.9 null null null 117.9 YILU0371-neg-2 941.62103:6513 942.62438:4177 943.62774:1373 0 0 0 0 42934 44323 45136 45239 46405 44515 44750 42882 43538 39217 38157 38509 0 44758.9505208333 41175.6028645833 0 1154.22166693091 2874.99856758166 709 7.449 943.50897 w/o MS2:PI 17:0_22:6;3O [M+Hac-H]- adduct linked to 694_[M+FA-H]-; similar chromatogram in higher mz_763 0.75 True 7.61 943.51892 C48H81O16P OxPI DULSEDACLXBNSJ-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)CCCCCCCCCCCCCCCC 530 True True False False False null null 87 100 null null null 587.49 YILU0371-neg-1 943.50897:33756 944.51232:34483 945.51568:18081 59.01306:124 158.97684:77 447.16739:118 505.17084:135 533.16321:91 605.18353:52 943.29053:115 943.50793:22341 943.60083:378 943.70398:64 943.96246:60 0 0 0 0 199287 199705 196092 225359 215121 216433 168394 163130 162436 188793 186314 190918 0 208666.1953125 176664.401041667 0 11891.375738479 13396.8696248191 710 7.342 945.57379 w/o MS2:RIKEN N-VS1 ID-8039 from Cell_HeLa_WT_N_Ctr [M-H]- 0.062 False 9.2 945.57318 Unknown 530 True True False False False null null 99.8 100 null null null 60.91 YILU0372-neg-2 945.57379:3045 946.57714:2874 947.5805:2082 0 0 0 0 17886 17243 16858 13888 14026 13397 18289 18251 18132 15838 13954 14403 0 15549.4993489583 16477.7161458333 0 1987.57019164388 2011.93700981125 711 5.733 947.55273 w/o MS2:PI 17:0_22:4;4O [M-H]- ion correlated with 856 0.375 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 96.8 100 null null null 91.52 YILU0373-neg-1 947.55273:4735 948.55608:3495 949.55944:1274 0 0 0 0 43124 45949 45281 46017 45349 44728 59459 60085 60594 64394 65168 61788 0 45074.515625 61914.4889322917 0 1067.45168264493 2360.8240384824 712 7.038 947.55432 w/o MS2:PI 17:0_22:4;4O [M-H]- ion correlated with 521; ion correlated with 649 0.75 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 91.7 100 null null null 135.35 YILU0372-neg-1 947.55432:7810 948.55767:7046 949.56103:5268 0 0 0 0 52556 56580 57483 58374 58251 62027 66785 66812 69840 70183 63908 68932 0 57545.1529947917 67743.2135416667 0 3069.1222033038 2377.10070710014 713 7.227 949.53467 w/o MS2:PI 16:1_22:3;4O [M-H]- ion correlated with 651; ion correlated with 153; ion correlated with 342; ion correlated with 326 0.75 False 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 87.4 100 null null null 130.31 YILU0370-neg-1 949.53467:7786 950.53802:8338 951.54138:4040 0 0 0 0 57798 54860 54759 53432 51894 53837 45924 45316 44067 38444 36360 37828 0 54429.974609375 41323.18359375 0 1970.63361390781 4237.47985849461 714 6.376 949.56891 w/o MS2:PI 17:0_22:3;3O [M-H]- ion correlated with 666 0.375 False 7.9 949.56592 C48H87O16P OxPI RBESYSPGUROVIN-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)CCCCCCCCCCCCCCCC 530 True True False False False null null 95.6 100 null null null 75.8 YILU0373-neg-3 949.56891:5770 950.57226:4528 951.57562:2418 0 0 0 0 32112 30008 33571 33646 33963 32468 42751 42390 39496 46590 45301 48344 0 32627.8932291667 44145.4251302083 0 1473.88600827161 3212.0750018354 715 6.719 951.51123 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 232.97 YILU0370-neg-1 951.51123:36499 952.51458:24992 953.51794:12542 410.45197:64 555.18689:187 635.36536:126 891.60449:1624 905.50739:85 951.17535:58 951.28088:58 951.33063:207 951.51361:34386 951.94025:70 5216 0 0 0 206909 192835 168885 161607 196078 176497 179114 151539 207675 148944 173909 145590 1303.92858886719 183801.924479167 167795.114583333 2607.85717773438 17519.9134110226 23952.3501263847 716 7.091 951.5119 Unknown [M-H]- 0.062 False null null null null null null 999 False False False False False null null null null null null null 190.55 YILU0373-neg-3 951.5119:9527 952.51525:8615 953.51861:4253 0 0 0 0 51917 50038 53880 64163 68486 59939 59901 58917 62934 67960 63165 65974 0 58070.275390625 63141.7630208333 0 7335.3793277624 3453.41628043409 717 6.842 951.51227 Unknown [M-H]- ion correlated with 531 0.688 True null null null null null null 999 False False False False False null null null null null null null 694.94 YILU0372-neg-1 951.51099:50991 952.51434:43387 953.5177:22299 44.99736:84 495.16605:60 540.16522:124 554.17761:95 555.18475:491 626.19403:79 627.20178:116 905.50641:221 906.5105:52 951.37994:336 951.51025:27082 951.87708:57 5216 0 0 0 528133 509761 522106 516608 484240 515484 517314 521350 508705 667797 516048 670163 1303.92858886719 512721.84375 566896.166666667 2607.85717773438 15285.4799036204 79182.7108831552 718 7.577 951.54785 w/o MS2:PI 16:0_22:3;4O [M-H]- 0.062 False 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 96.6 100 null null null 61.55 PostRun1 951.54785:3077 952.5512:3425 953.55456:1601 25065 372 0 0 1650004 1541482 1662625 1690505 1868748 1720767 7257946 7272253 2016454 7103596 583615 7076199 6359.06840515137 1689021.89583333 5218343.63541667 12471.5862086595 107050.334946359 3069760.06160306 719 7.919 951.54956 w/o MS2:PI 16:0_22:3;4O [M+Hac-H]- ion correlated with 380; adduct linked to 703_[M+FA-H]- 0.75 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 97.4 100 null null null 736.68 YILU0371-neg-1 951.54956:116001 952.55291:116527 953.55627:62477 59.01416:466 526.18665:176 537.22205:63 540.20032:93 541.20825:459 666.60187:51 891.52356:354 951.27484:90 951.55035:74445 315 0 0 0 956938 903323 848123 1009713 1000770 1001606 972409 1003052 1019698 962080 898797 926825 78.811393737793 953412.15625 963810.104166667 157.622787475586 65333.624997163 45464.1887161043 720 7.684 951.55127 w/o MS2:PI 16:0_22:3;4O [M-H]- found in higher mz's MsMs_819 0.75 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 95.1 100 null null null 3755.52 YILU0370-neg-2 951.55127:545970 952.55462:471043 953.55798:257781 59.01426:1104 167.42659:52 467.17099:59 468.17963:116 483.20267:248 509.17432:66 526.15546:53 526.18372:485 540.20386:207 541.20862:1514 542.21234:60 563.18976:69 595.21967:85 612.2171:99 613.22595:191 891.52625:847 938.53583:53 945.31219:63 950.6424:51 951.1792:94 951.55072:328461 2040 0 0 0 7259417 7342960 7343824 7263786 7338553 7230122 7257946 7271216 7219254 7102826 7150724 7074150 509.933410644531 7296443.83333333 7179352.5 1019.86682128906 51025.5148143227 82403.2323055352 721 5.829 951.58661 Unknown [M+Hac-H]- ion correlated with 660; ion correlated with 867; ion correlated with 362; adduct linked to 660_[M-H2O-H]- 0.75 False null null null null null null 999 False False False False False null null null null null null null 39.19 YILU0372-neg-3 951.58661:6902 952.58996:5034 953.59332:1333 0 0 0 0 37598 44677 41426 47916 47518 48719 48886 54643 47604 45930 41734 49067 0 44642.373046875 47977.4016927083 0 4372.09375497453 4236.7532241975 722 6.699 951.62457 w/o MS2:SMGDG O-16:0_28:6 [M-H]- ion correlated with 13; ion correlated with 14 0.188 True 11.22 951.62372 C53H92O12S EtherSMGDG LOOBMBGHYXMWAL-UHFFFAOYSA-N O=C(OC(COCCCCCCCCCCCCCCCC)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 99.9 99.9 null null null 64.22 YILU0370-neg-2 951.62457:3264 952.62792:3853 953.63128:1482 121.47476:52 554.17334:57 555.18695:79 556.18262:53 626.20441:50 635.36029:73 653.36957:88 798.66095:53 891.53461:73 891.60065:1030 905.50067:56 951.24774:107 951.27002:70 951.51135:29113 951.80853:58 951.88635:59 951.99408:61 0 0 0 0 19096 18983 18286 19805 19368 18153 19323 18742 18214 17674 19013 16489 0 18948.66796875 18242.3528645833 0 633.291160604209 1039.97882657554 723 6.838 953.51434 w/o MS2:PI 18:5_26:7 [M-H]- ion correlated with 901 0.062 False 7.79 953.51862 C53H79O13P PI CRMFYXHXRJXMEH-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)CC=CCC=CCC=CCC=CCC=CCC 530 True True False False False null null 91.3 100 null null null 62.29 YILU0372-neg-3 953.51434:19448 954.51769:6763 955.52105:1575 116 0 0 0 197371 190601 197481 190953 183937 190361 184496 192610 188481 176513 84825 180153 29.1095714569092 191783.955729167 167846.416666667 58.2191429138184 5086.41545804677 41073.8816329314 724 6.687 953.52417 w/o MS2:PI 18:5_26:7 [M-H]- 0.188 False 7.79 953.51862 C53H79O13P PI CRMFYXHXRJXMEH-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)CC=CCC=CCC=CCC=CCC=CCC 530 True True False False False null null 85.7 100 null null null 44.73 YILU0370-neg-3 953.52417:13906 954.52752:10344 955.53088:2787 305 0 0 0 97550 76094 79263 81691 50910 63861 69660 21508 64122 62235 58786 59732 76.2605819702148 74894.6419270833 56007.1572265625 152.52116394043 15981.1506891395 17336.6775648481 725 7.401 953.52905 Unknown [M-H]- ion correlated with 770 0.125 False null null null null null null 999 False False False False False null null null null null null null 151.05 YILU0371-neg-3 953.52905:7792 954.5324:8225 955.53576:3817 0 0 0 0 48443 48020 48677 57106 59119 59832 58948 62824 63615 61757 58967 61196 0 53532.837890625 61217.8463541667 0 5718.80179261188 1940.78164354288 726 4.429 953.54822 w/o MS2:DGDG 11:0_22:6 [M+FA-H]- adduct linked to 681_[M-H]- 0.75 True 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 100 99.9 null null null 83.39 YILU0370-neg-2 953.54822:8931 954.55157:5449 955.55493:1723 101.02494:82 249.18343:99 277.21445:175 397.10129:91 397.12103:55 629.3139:168 647.32697:66 657.34448:81 675.36615:78 907.44751:96 907.54138:1824 953.4187:54 953.54657:1015 0 0 0 0 64412 66086 62689 63304 64507 61710 56696 52798 55854 54875 53274 52869 0 63784.751953125 54394.4153645833 0 1545.43672477014 1660.48750972612 727 7.696 955.55493 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 82.7 100 null null null 479.71 YILU0373-neg-1 955.55493:24091 956.55828:4812 957.56164:806 0 0 0 0 311400 316546 313469 309354 311279 311234 304595 307935 306618 308827 303874 301992 0 312213.578125 305640.088541667 0 2490.56590792117 2603.89485302911 728 4.908 955.56323 w/o MS2:DGDG 11:0_22:5 [M+FA-H]- ion correlated with 650; ion correlated with 260; ion correlated with 898; adduct linked to 682_[M-H]- 0.75 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 99.9 99.9 null null null 135.27 YILU0370-neg-1 955.56323:7691 956.56658:5729 957.56994:1935 0 0 0 0 50084 48870 49939 46765 46652 44897 40657 40032 40004 41970 41481 42410 0 47867.9381510417 41092.40625 0 2084.5109642883 1015.67878761416 729 0.89 955.97046 Unknown [M-H]- 0.688 False null null null null null null 999 False False False False False null null null null null null null 56.65 YILU0372-neg-2 955.97046:4445 956.97381:1124 957.97717:1551 0 291 52 68 27938 26661 28490 24176 25188 23690 33624 36006 33933 30686 28923 27158 102.715955734253 26023.927734375 31721.5052083333 128.889840733228 1985.57522842231 3364.47922700722 730 5.925 959.59662 w/o MS2:DGDG 11:0_22:3 [M+FA-H]- adduct linked to 686_[M-H]- 0.75 True 8.8 959.59491 C48H84O15 DGDG SSMQVKBDTOXSIC-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCCCC=CCC=CCC=CCCCCC)COC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O)CCCCCCCCCC 530 True True False False False null null 99.6 100 null null null 809.72 YILU0370-neg-1 959.59662:43450 960.59997:31245 961.60333:7878 71.01293:83 100.93388:122 158.97562:1121 179.05385:57 235.0816:54 255.23312:211 277.18463:51 277.21915:536 323.09695:55 379.08304:81 379.12277:385 397.13614:362 415.14594:87 455.49677:51 635.36414:639 653.37573:338 657.34955:814 675.35864:286 913.44989:105 913.5907:12193 913.7066:71 913.74908:89 914.15839:53 914.21124:61 914.42102:58 914.52795:67 914.59216:561 959.41345:55 959.49255:212 959.59668:7815 959.74347:57 0 0 0 0 340952 332492 329046 326652 329794 321046 309251 309102 306414 305999 310580 307943 0 329997.15625 308214.838541667 0 6610.58317996959 1770.84866962415 731 10.464 959.82294 w/o MS2:SM 12:0;2O/36:0 [M-H]- similar chromatogram in higher mz_774 0.75 True 13.67 959.81622 C53H109N2O6P SM BSDQIQMMXOZQKS-UHFFFAOYSA-N O=C(NC(COP(=O)([O-])OCC[N+](C)(C)C)C(O)CCCCCCCCC)CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC 530 True True False False False null null 94.1 99.9 null null null 567.26 YILU0372-neg-1 959.82294:29625 960.82629:31285 961.82965:9045 346.24948:543 355.30334:74 696.06848:56 748.61456:134 959.56757:60 959.63354:90 959.82098:17089 959.96533:84 960.01379:68 960.22205:71 960.26569:64 0 0 0 0 204150 203194 193701 201707 196615 188870 206657 200709 194172 202376 198639 196277 0 198039.666666667 199805.104166667 0 6037.93026231706 4470.13849513526 732 7.863 961.56848 w/o MS2:PI 18:0_22:4;4O [M-H]- 0.5 False 7.88 961.56592 C49H87O16P OxPI NWFLCTYQEOIREI-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)CCCCCCCCCCCCCCCCC 530 True True False False False null null 96.8 100 null null null 73.19 YILU0372-neg-3 961.56848:3854 962.57183:3613 963.57519:1156 0 0 0 0 30832 30407 30671 24181 22181 22932 33736 33790 33400 25137 28173 30568 0 26867.2076822917 30800.568359375 0 4180.76470212347 3559.37178326983 733 5.389 961.59125 w/o MS2:SMGDG O-17:1_28:7 [M-H]- ion correlated with 862; similar chromatogram in higher mz_871; adduct linked to 809_[M+Hac-H]-; found in higher mz's MsMs_809; adduct linked to 796_[M+FA-H]-; similar chromatogram in higher mz_862 0.75 True 10.75 961.60797 C54H90O12S EtherSMGDG RMALJEBQPAFGJM-UHFFFAOYSA-N O=C(OC(COCCCCCCCCC=CCCCCCCC)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 78.2 99.9 null null null 483.09 YILU0372-neg-3 961.59125:25553 962.5946:17937 963.59796:4202 89.02344:72 125.00795:83 125.02332:76 235.08156:81 277.21625:304 303.18997:68 303.23218:713 379.12399:416 397.13461:643 415.14166:51 465.2836:81 565.29895:52 591.31342:112 657.34894:605 675.35193:219 683.3623:710 684.3717:68 701.37231:243 961.58881:7488 0 0 0 0 177625 182110 182708 182387 184990 184528 185416 187586 191083 173339 165628 168456 0 182391.192708333 178584.888020833 0 2615.73725337206 10787.7229094936 734 6.347 961.61011 w/o MS2:DGDG 11:0_22:2 [M+FA-H]- ion correlated with 687; ion correlated with 781; adduct linked to 687_[M-H]- 0.75 True 9.19 961.61047 C48H86O15 DGDG KSJKWSWOXFARTJ-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCCCCCCC=CCC=CCCCCC)COC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O)CCCCCCCCCC 530 True True False False False null null 100 100 null null null 432.15 YILU0370-neg-1 961.61011:23619 962.61346:16528 963.61682:4703 73.02722:65 100.93459:161 158.97513:1497 255.23149:122 279.2327:137 379.12363:231 397.13443:394 635.36078:248 653.3739:186 659.32648:65 659.36389:359 677.37115:155 915.45251:58 915.60352:6374 916.14178:56 916.60339:234 961.37909:62 961.60822:5069 0 0 0 0 161665 159005 147600 157670 155697 154018 147709 149503 153803 144082 139282 139669 0 155942.747395833 145674.674479167 0 4867.52550490092 5732.91908393882 735 6.328 963.51477 w/o MS2:RIKEN N-VS1 ID-8188 from Mouse_Kidney_WT_N_F1DHA [M-H]- 0.75 False 8.25 963.51422 Unknown 530 True True False False False null null 99.8 100 null null null 196.98 YILU0372-neg-3 963.51477:10675 964.51812:11550 965.52148:6046 0 0 0 0 67015 67529 67905 68084 68652 64552 65959 66309 66290 58253 51691 57126 0 67289.6145833333 60937.9986979167 0 1448.66041901165 6163.57135885379 736 6.799 965.52863 w/o MS2:RIKEN N-VS1 ID-8203 from Mouse_Muscle_WT_CTX7_Ctr [M-H]- similar chromatogram in higher mz_825; found in higher mz's MsMs_825 0.75 False 8.37 965.52972 Unknown 530 True True False False False null null 99.4 100 null null null 3996.72 YILU0371-neg-2 965.52863:532769 966.53198:454852 967.53534:250307 15016 261 0 0 6916801 6926220 6897502 6899756 6975117 6880452 6909654 6911674 6866650 6580502 6626138 6597108 3819.34678649902 6915974.58333333 6748620.91666667 7465.59975418571 33074.5913132977 162893.353153349 737 7.099 965.52966 w/o MS2:RIKEN N-VS1 ID-8203 from Mouse_Muscle_WT_CTX7_Ctr [M-H]- 0.75 False 8.37 965.52972 Unknown 530 True True False False False null null 100 100 null null null 423.51 YILU0373-neg-2 965.52966:65682 966.53301:78272 967.53637:44563 0 0 0 0 438203 380513 401026 462986 443878 445326 430459 428008 440690 469148 463980 462596 0 428655.473958333 449146.697916667 0 31178.4354423217 18267.6709917376 738 6.402 965.59991 w/o MS2:PI 24:0_16:2;3O [M-H]- 0.625 False 8.87 965.59723 C49H91O16P OxPI VWSRKWANNIIMEK-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCC(OO)C=CCC=CCCCO)COP(=O)(O)OC1C(O)C(O)C(O)C(O)C1O)CCCCCCCCCCCCCCCCCCCCCCC 530 True True False False False null null 96.5 100 null null null 89.22 YILU0373-neg-3 965.59991:13622 966.60326:11735 967.60662:3655 0 0 0 0 70516 74142 74787 78327 84177 84344 122203 124595 135605 126490 134269 132893 0 77715.5208333333 129342.579427083 0 5643.59208337707 5616.84067989303 739 6.111 965.61957 Unknown [M-H]- ion correlated with 194; ion correlated with 665; ion correlated with 689; ion correlated with 354; adduct linked to 813_[M+Hac-H]- 0.562 False null null null null null null 999 False False False False False null null null null null null null 61.74 YILU0370-neg-3 965.61957:4003 966.62292:2718 967.62628:1078 0 0 0 0 23825 26514 27726 25480 28353 27695 27452 27367 25715 25032 23566 22720 0 26598.7347005208 25308.6897786458 0 1703.03884240503 1939.43104750047 740 7.459 966.00122 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 5.46 YILU0370-neg-3 966.00122:22577 967.00457:3824 968.00793:657 121702 236815 198856 180036 173763 226495 306850 187508 229110 234053 202481 183221 328420 123064 302077 188144 184352.359375 226296.5 221234.536458333 47980.3214508869 46521.7499689735 78170.7819758744 741 0.092 966.00122 Unknown [M-H]- 0.062 False null null null null null null 999 False False False False False null null null null null null null 8.29 YILU0372-neg-3 966.00122:21521 967.00457:4541 968.00793:582 20770 65744 28125 43272 21589 25125 26219 20691 12000 21952 15806 8384 25271 35058 22689 44900 39478.0380859375 21262.6643880208 25351.4651692708 19859.2647841815 5023.65685375241 13133.4703533117 742 0.543 966.00122 Unknown [M-H]- 0.062 False null null null null null null 999 False False False False False null null null null null null null 9.11 PostRun1 966.00122:21376 967.00457:4182 968.00793:528 13013 36266 12880 15928 10373 9525 17357 5891 6317 12266 12550 5996 12849 13231 34335 51454 19521.8635253906 10288.2173665365 21735.7948404948 11250.9598126874 4232.75239185437 17466.4861678468 743 1.462 966.00122 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 8.76 YILU0361-neg-2 966.00122:22828 967.00457:3135 968.00793:473 37007 26926 15454 37945 83198 209535 87911 56459 233062 86628 87203 59686 162007 169861 224371 102365 29332.9763183594 126132.356770833 134248.888020833 10511.4504807062 74978.9385465976 61563.1655488573 744 0.243 966.00122 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 6.03 YILU0373-neg-2 966.00122:22217 967.00457:4119 968.00793:429 15698 32301 29592 41389 15408 21862 26486 22064 16988 7604 21284 35775 25002 24583 38354 28956 29745.0693359375 18401.9616699219 28992.2744140625 10637.4406164416 6607.65677749624 6758.98426834916 745 7.84 966.00122 Unknown [M-H]- 0.062 False null null null null null null 999 False False False False False null null null null null null null 4.82 YILU0370-neg-2 966.00122:20518 967.00457:2706 968.00793:341 282632 412925 275768 197942 214969 297962 287604 253296 340564 214590 324858 296498 241500 136999 226380 112120 292316.64453125 268163.932291667 223059.229166667 89107.6975569011 49856.8575616477 84642.0002505882 746 1.959 966.00122 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 5.94 YILU0372-neg-2 966.00122:20210 967.00457:2775 968.00793:526 28604 7220 35750 55777 18679 96663 42013 49567 30781 150958 38839 58334 33809 35745 40877 71050 31837.7770996094 64776.8681640625 46442.3873697917 20040.7953380138 49948.4939360495 14898.1483462738 747 7.189 966.00122 Unknown [M-H]- 0.062 False null null null null null null 999 False False False False False null null null null null null null 1.9 YILU0372-neg-2 966.00122:18845 967.00457:4605 968.00793:532 213208 178726 146003 240842 131604 295626 212907 73994 290502 247722 292040 253557 100507 150056 180383 181787 194694.84765625 208725.735677083 193055.01171875 41223.6405168479 89305.7842332726 69512.6088895661 748 6.632 966.00122 Unknown [M-H]- 0.562 False null null null null null null 999 False False False False False null null null null null null null 7.32 YILU0370-neg-1 966.00122:19521 967.00457:3211 968.00793:445 131176 75744 336731 302806 247393 209756 191785 193629 193989 258969 192034 211982 169733 196373 128352 226866 211614.0234375 215920.2265625 187556.651041667 127673.092566807 29806.4912372334 34820.9132703399 749 6.964 966.00122 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 5.23 YILU0370-neg-3 966.00122:18582 967.00457:3691 968.00793:665 247762 221416 328074 223707 126626 157402 149360 169308 131906 172293 126847 104845 220180 217958 130873 223425 255239.625 151149.122395833 170688.032552083 49997.1140102507 18925.2090840379 55330.9727273906 750 6.188 967.50787 Unknown [M+FA-H]- ion correlated with 350; adduct linked to 761_[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 61.77 YILU0370-neg-3 967.50787:3734 968.51122:3367 969.51458:3510 0 0 0 0 23837 22178 24257 21272 20557 19086 22998 21361 21956 23323 20444 20637 0 21864.6516927083 21786.3033854167 0 1974.51050758055 1196.87275881671 751 6.533 967.51208 Unknown [M+FA-H]- adduct linked to 762_[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 113.09 YILU0373-neg-3 967.51208:7473 968.51543:5868 969.51879:3402 0 0 0 0 62077 61425 61252 80119 81070 80054 74104 73956 79206 82429 83737 83583 0 70999.3665364583 79502.4361979167 0 10323.4995401982 4541.9567793366 752 7.408 967.54541 w/o MS2:Ac2PIM1 14:0_18:2 [M-H]- 0.75 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 86.9 100 null null null 331.57 YILU0372-neg-3 967.54541:46289 968.54876:45185 969.55212:22271 0 0 0 0 290981 300430 288672 343362 351335 348904 361680 361728 371000 349804 334222 355490 0 320613.895833333 355653.942708333 0 30223.7644538852 12667.1783584434 753 4.43 967.56311 w/o MS2:DGDG 12:0_22:6 [M+Hac-H]- ion correlated with 532; ion correlated with 681; ion correlated with 347; adduct linked to 681_[M-H]- 0.75 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 99.9 99.9 null null null 127.41 YILU0371-neg-1 967.56311:16737 968.56646:10659 969.56982:2927 0 0 0 0 126065 125603 120554 130586 128133 124581 117983 115605 118932 116504 112740 114791 0 125920.303385417 116092.412760417 0 3387.54107721079 2235.09673829819 754 4.91 969.58051 w/o MS2:DGDG 12:0_22:5 [M+Hac-H]- ion correlated with 349; ion correlated with 682; adduct linked to 682_[M-H]- 0.75 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 99.2 99.9 null null null 290.19 YILU0370-neg-2 969.58051:17925 970.58386:13893 971.58722:3942 0 0 0 0 120151 120822 119063 116894 119758 118040 109204 112030 112885 110265 106892 108159 0 119121.256510417 109905.82421875 0 1448.26407161413 2286.57380273206 755 6.79 970.5296 Unknown [M-H]- ion correlated with 829; ion correlated with 825 0.062 False null null null null null null 999 False False False False False null null null null null null null 84.13 YILU0370-neg-3 970.5296:4219 971.53295:785 972.53631:0 0 0 0 0 55513 57174 64069 61036 57905 57451 63462 62704 65378 56934 51754 58337 0 58857.9270833333 59761.51953125 0 3124.25576836411 5060.27984397451 756 4.427 970.53888 Unknown [M-H]- ion correlated with 264 0.75 False null null null null null null 999 False False False False False null null null null null null null 86.78 YILU0370-neg-3 970.53888:4781 971.54223:3264 972.54559:1029 0 0 0 0 31726 31555 32830 31104 31858 30373 27916 26102 27876 29830 27643 30474 0 31574.4951171875 28306.880859375 0 817.82792904915 1591.02672430068 757 5.389 971.59485 w/o MS2:DGDG 12:0_22:4 [M+Hac-H]- adduct linked to 684_[M-H]- 0.75 False 8.66 971.59491 C49H84O15 DGDG DMDLQLMETBKCSW-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)CCCCCCCCCCC 530 True True False False False null null 100 99.9 null null null 133.61 YILU0371-neg-1 971.59485:7319 972.5982:4518 973.60156:1394 0 0 0 0 57505 57000 58106 58821 58005 56421 50993 54398 52587 50266 49621 53220 0 57643.095703125 51847.4459635417 0 855.494083510273 1850.68473559724 758 5.928 973.61255 w/o MS2:DGDG 12:0_22:3 [M+Hac-H]- adduct linked to 686_[M-H]- 0.75 True 9.04 973.61047 C49H86O15 DGDG MMWOQNYSLJUHJA-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCCCC=CCC=CCC=CCCCCC)COC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O)CCCCCCCCCCC 530 True True False False False null null 99.4 100 null null null 2705.77 YILU0371-neg-2 973.61255:139280 974.6159:102748 975.61926:33321 45.12987:70 71.0141:66 89.02627:53 113.02448:133 125.02236:60 143.03799:75 161.04471:95 235.08105:106 255.20808:66 255.23192:872 277.21652:1025 301.08505:63 320.23163:62 323.09961:78 379.08182:63 379.1243:1100 397.13513:1278 415.14713:145 635.19922:82 635.36407:2164 636.37292:81 653.37537:840 657.34955:1801 658.34973:64 675.26013:69 675.35919:710 676.36505:58 913.35083:138 913.59149:67611 914.20026:76 914.29425:85 914.38831:91 914.59302:1666 914.68878:85 914.74207:66 914.86078:103 915.01471:53 915.13715:81 915.23108:71 915.29962:70 915.64069:54 973.39612:51 973.46631:122 973.61053:6666 0 0 0 0 1113641 1100090 1098623 1110634 1116068 1114559 1097860 1093345 1085532 1044928 1021646 1042517 0 1108935.75 1064304.59375 0 7643.56081245842 31905.5964213116 759 6.347 975.62689 w/o MS2:DGDG 12:0_22:2 [M+Hac-H]- ion correlated with 621; adduct linked to 687_[M-H]- 0.75 True 9.46 975.62622 C49H88O15 DGDG OCAHDHOCHKLBCU-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCCCCCCC=CCC=CCCCCC)COC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O)CCCCCCCCCCC 530 True True False False False null null 99.9 100 null null null 1160.59 YILU0372-neg-1 975.62689:60615 976.63024:46377 977.6336:13156 89.01798:60 161.04182:90 235.08127:97 255.20267:53 255.23016:238 259.08127:133 279.23215:469 287.07443:92 301.0928:67 305.08771:118 379.12265:391 397.13605:443 415.14682:159 635.2818:53 635.36237:712 653.37219:297 658.34119:53 659.31671:90 659.36261:707 677.29254:54 677.33417:63 677.37164:320 915.34814:89 915.39233:64 915.60443:27767 915.90161:118 915.97131:80 916.06012:55 916.22382:108 916.30414:59 916.42664:52 916.49591:57 916.60382:556 916.97607:68 975.48523:107 975.62366:2565 0 0 0 0 430508 429554 428679 431061 425548 430526 438852 433652 432598 386736 378577 388781 0 429312.682291667 409866.125 0 2029.18814001675 27861.3447030349 760 10.258 975.81586 w/o MS2:SM 48:0;3O [M-H]- 0.75 False 13.59 975.8111 C53H109N2O7P SM NPQWTIKEMCKGSO-UHFFFAOYSA-N O=C(NC(COP(=O)([O-])OCC[N+](C)(C)C)C(O)C(O)CCCCCCCC)CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC 530 True True False False False null null 89.3 99.9 null null null 81.26 YILU0372-neg-1 975.81586:4838 976.81921:6100 977.82257:1687 0 0 0 0 25421 26803 27734 26001 28163 25472 31776 29448 27117 23991 20352 20849 0 26599.0475260417 25588.6048177083 0 1165.69242760025 4646.3547021094 761 6.194 981.52435 w/o MS2:PI 20:3_22:5;3O [M+Hac-H]- adduct linked to 750_[M+FA-H]- 0.75 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 87.2 100 null null null 353.25 YILU0372-neg-1 981.52435:24221 982.5277:23792 983.53106:23164 181.01114:65 511.16742:56 570.13184:84 570.17126:147 805.99323:170 806.987:428 807.99506:78 921.50446:354 981.02057:680 981.52411:12710 981.6806:67 981.81042:68 981.89813:63 981.94482:101 982.02094:114 0 0 0 0 166552 162368 162173 160118 154491 157818 170514 161671 166328 154434 152441 156445 0 160586.674479167 160305.692708333 0 4155.06473673359 7121.62305976918 762 6.52 981.52576 w/o MS2:PI 20:3_22:5;3O [M+Hac-H]- adduct linked to 751_[M+FA-H]- 0.75 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 90.3 100 null null null 569.66 YILU0373-neg-3 981.52576:53367 982.52911:45915 983.53247:25574 59.00951:86 584.18713:87 673.19714:59 805.85815:53 805.98505:111 806.9873:740 807.98572:124 863.49139:95 981.01849:609 981.29163:148 981.35382:229 981.5249:31897 981.83734:120 981.87823:76 0 0 0 0 460151 469092 472433 619219 622938 633226 628116 619744 392650 635379 625716 645050 0 546176.588541667 591109.067708333 0 86701.2433151787 97614.1898130411 763 7.447 981.55847 w/o MS2:Ac2PIM1 15:0_18:2 [M-H]- 0.562 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 96.3 100 null null null 59.9 YILU0372-neg-3 981.55847:5266 982.56182:5117 983.56518:3968 0 0 0 0 28688 25516 23363 27432 26314 27538 35885 37793 39262 37693 33678 36841 0 26475.1031901042 36858.3756510417 0 1874.56600641401 1918.74437171281 764 5.039 981.5802 w/o MS2:DGDG 13:0_22:6 [M+FA-H]- adduct linked to 702_[M-H]- 0.75 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 99.5 99.9 null null null 375.12 YILU0373-neg-2 981.5802:29775 982.58355:27976 983.58691:7712 0 0 0 0 205125 200549 202064 194090 198984 200523 188930 187291 186125 192575 204909 191078 0 200222.572916667 191818.265625 0 3654.10644790004 6837.36914788525 765 10.139 981.80774 w/o MS2:SM 12:1;2O/38:2 [M-H]- 0.75 True 13.36 981.80048 C55H107N2O6P SM BTXGSCQKRYOYJM-UHFFFAOYSA-N O=C(NC(COP(=O)([O-])OCC[N+](C)(C)C)C(O)C=CCCCCCCC)CCCCCCCCCCCCCCCCCCCCCCCCCC=CCC=CCCCCCCC 530 True True False False False null null 93.4 99.9 null null null 380.4 YILU0372-neg-1 981.80774:21102 982.81109:23311 983.81445:6915 368.23669:324 748.61316:76 805.98389:104 806.93701:81 806.98712:616 807.98578:142 980.97125:70 981.01318:446 981.50824:52 981.55646:66 981.61017:88 981.66296:204 981.80518:13649 981.94397:63 982.02142:452 982.15533:56 982.22284:54 982.27673:55 0 0 0 0 132066 131305 128600 132938 127606 128857 146246 136548 132780 123329 121636 113055 0 130228.75390625 128932.475260417 0 2158.22785274154 11910.3172331573 766 6.204 983.52124 Unknown [M-H]- 0.062 False null null null null null null 999 False False False False False null null null null null null null 272.7 YILU0371-neg-3 983.52124:13635 984.52459:11748 985.52795:6263 0 0 0 0 80053 82939 62441 99067 90416 89485 75407 75632 80492 104750 88854 96260 0 84066.9296875 86899.41796875 0 12487.9836605662 11917.8465712792 767 6.449 983.53143 Unknown [M+Hac-H]- adduct linked to 691_[M-H]- 0.125 False null null null null null null 999 False False False False False null null null null null null null 456.22 YILU0372-neg-3 983.53143:23339 984.53478:10509 985.53814:3868 0 0 0 0 218251 217271 215184 281218 286660 279532 280014 272659 291123 274825 16677 293287 0 249685.958333333 238097.690755208 0 36003.7599489103 108797.95534724 768 5.733 983.53918 w/o MS2:PI 20:3_22:4;4O [M-H]- 0.438 True 7.7 983.55017 C51H85O16P OxPI ABXWYKWSIZNQDJ-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)CCCCCCCCCC=CCC=CCC=CCC 530 True True False False False null null 85.6 100 null null null 259.63 YILU0373-neg-1 983.53918:14392 984.54253:15426 985.54589:7836 348.69757:263 511.16492:52 983.31763:77 983.43671:310 983.53894:10453 983.7049:70 983.87805:53 0 0 0 0 76341 78303 77547 82409 81808 84795 90675 86373 88723 96343 93461 91313 0 80200.3697916667 91147.8880208333 0 3289.59265233962 3500.67323128467 769 5.913 983.53955 Unknown [M-H]- ion correlated with 875; adduct linked to 815_[M+FA-H]- 0.312 False null null null null null null 999 False False False False False null null null null null null null 127.37 YILU0373-neg-1 983.53955:8233 984.5429:9884 985.54626:5228 0 0 0 0 55108 55661 59679 60309 57818 56628 56361 59177 63399 68309 65854 66067 0 57533.6829427083 63194.5611979167 0 2125.7186158835 4568.70979686956 770 7.371 983.54028 w/o MS2:PI 20:3_22:4;4O [M-H]- ion correlated with 725 0.688 True 7.7 983.55017 C51H85O16P OxPI ABXWYKWSIZNQDJ-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)CCCCCCCCCC=CCC=CCC=CCC 530 True True False False False null null 86.9 100 null null null 154.99 YILU0371-neg-2 983.53973:9658 984.54308:10039 985.54644:5527 585.20386:85 864.50208:208 895.52722:78 923.44543:104 923.51556:804 924.51947:72 983.38892:53 983.54047:3150 0 0 0 0 45397 43848 46992 65042 60096 66438 47269 47964 47923 50472 45301 50029 0 54635.4375 48159.6705729167 0 10368.322784562 1892.32178572589 771 5.522 983.59613 w/o MS2:DGDG 13:0_22:5 [M+FA-H]- adduct linked to 706_[M-H]- 0.75 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 99.3 99.9 null null null 332.09 YILU0370-neg-1 983.59613:18629 984.59948:13696 985.60284:3665 0 0 0 0 140825 136915 136342 134671 134614 132538 127590 132970 131081 122383 121616 121467 0 135984.203125 126184.515625 0 2824.8805457322 5090.54713664602 772 10.296 983.82355 w/o MS2:CL 24:0_28:0_28:0_28:0 [M-H]- 0.75 True 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 100 99.8 null null null 748.85 YILU0372-neg-1 983.82355:41218 984.8269:46171 985.83026:14167 370.25101:83 748.61389:212 983.56152:76 983.61926:105 983.69843:346 983.8219:24486 984.05591:92 984.138:92 984.2038:91 984.28253:112 984.31738:93 0 0 0 0 261750 267020 257821 267299 268404 258249 281815 261256 265623 257445 239435 238828 0 263423.809895833 257400.328125 0 4769.26027926437 16408.7799458619 773 6.002 985.61237 w/o MS2:DGDG 13:0_22:4 [M+FA-H]- adduct linked to 707_[M-H]- 0.75 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 98.2 100 null null null 351.48 YILU0370-neg-1 985.61237:18252 986.61572:12233 987.61908:3459 0 0 0 0 133121 137988 134670 133265 131881 130401 126165 125575 127060 124206 123731 124780 0 133554.358072917 125252.860677083 0 2604.47686690712 1251.82078020667 774 10.461 985.83911 w/o MS2:SM 12:1;2O/38:0 [M-H]- 0.75 True 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 93.3 99.9 null null null 920.74 YILU0372-neg-1 985.83911:47449 986.84246:46912 987.84582:16344 149.0603:86 372.23566:51 372.26535:582 385.27744:54 748.61493:159 985.59863:76 985.83801:32930 986.14386:54 986.26367:120 0 0 0 0 350776 343947 330074 351614 333389 328552 344397 340025 328453 346906 341111 327621 0 339725.427083333 338085.286458333 0 10386.8179451481 8158.94343480995 775 7.303 987.53369 w/o MS2:DGDG 18:5_18:5 [M+FA-H]- adduct linked to 788_[M+Hac-H]- 0.312 False 7.62 987.53229 C51H76O15 DGDG BTQIQMSEIZBPTD-UHFFFAOYSA-N O=C(OCC(OC(=O)CC=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 99 100 null null null 75.9 YILU0373-neg-1 987.53369:4136 988.53704:4053 989.5404:2175 0 0 0 0 19341 17887 18535 30529 31246 31211 25759 26083 25129 35755 34950 33354 0 24791.6197916667 30171.6783854167 0 6816.38112412864 5014.93152159983 776 6.551 987.62482 w/o MS2:SMGDG O-19:2_28:7 [M+FA-H]- ion correlated with 375; adduct linked to 708_[M-H]- 0.562 False 10.96 987.62372 C56H92O12S EtherSMGDG CSHALBFQHGLRJE-UHFFFAOYSA-N O=C(OC(COCCCCCCCCC=CCC=CCCCCCC)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 99.4 99.9 null null null 77.63 YILU0371-neg-2 987.62482:4627 988.62817:2957 989.63153:1223 0 0 0 0 31440 29893 33789 32741 34145 31990 32729 31047 31869 29601 27682 29604 0 32332.9173177083 30421.880859375 0 1577.16865009236 1825.26563359467 777 10.644 987.85468 w/o MS2:SM 12:0;2O/38:0 [M-H]- 0.75 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 93.6 99.9 null null null 2559.3 YILU0373-neg-1 987.85468:134619 988.85803:118208 989.86139:41351 112.98726:53 255.23068:52 271.17191:63 374.28146:1077 375.28464:80 533.48541:51 748.61591:515 749.62085:66 987.32996:57 987.60236:120 987.85468:86240 1405 0 0 0 990632 994803 974913 1015353 992014 978783 971239 962394 940262 1073075 999677 994228 351.273773193359 991082.791666667 990145.729166667 702.547546386719 14259.8084726283 46045.1421209506 778 5.041 995.59601 w/o MS2:DGDG 14:0_22:6 [M+Hac-H]- adduct linked to 702_[M-H]- 0.75 True 8.61 995.59491 C51H84O15 DGDG TWJCUCZWZIUVKN-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)CCCCCCCCCCCCC 530 True True False False False null null 99.8 99.9 null null null 2295.44 YILU0371-neg-1 995.59601:117763 996.59936:101271 997.60272:33098 55.02055:54 71.01293:56 89.02614:70 101.02362:193 113.02456:81 125.02346:112 161.04514:103 179.05495:79 181.05231:53 199.06248:83 217.06892:85 235.08206:252 277.2164:2065 287.07602:193 305.08755:122 341.10501:55 361.11636:57 379.12424:1365 397.0867:63 397.13519:1359 415.14792:154 481.27979:51 547.28998:55 657.26953:133 657.34845:3784 658.35498:152 675.25983:55 675.35925:1876 676.36469:50 935.32532:134 935.57544:63771 936.25562:108 936.42004:98 936.57562:1267 936.73798:51 936.84296:75 936.97064:122 937.37231:58 938.15546:99 938.59998:69 995.51276:176 995.59357:6412 995.94806:51 996.01227:56 0 0 0 0 841385 837956 834390 859082 858870 864004 851800 865451 871871 804286 820677 811919 0 849281.15625 837667.197916667 0 12783.68323628 29008.8515375969 779 5.323 997.51831 w/o MS2:DLCL 20:3_22:6 [M-H]- ion correlated with 591 0.25 True 7.81 997.5213 C51H84O15P2 DLCL FNGUBHVIPDSJBO-UHFFFAOYSA-N O=C(OCC(O)COP(=O)(O)OCC(O)COP(=O)(O)OCC(O)COC(=O)CCCCCCCCCC=CCC=CCC=CCC)CCC=CCC=CCC=CCC=CCC=CCC=CCC 530 True True False False False null null 98.9 100 null null null 160.94 YILU0373-neg-2 997.51831:9634 998.52166:10853 999.52502:4917 937.57349:51 997.51801:5956 997.68396:54 0 0 0 0 47891 47824 55337 52279 53157 52571 57632 55067 60116 67307 67695 67362 0 51509.736328125 62529.8307291667 0 3025.24904741437 5627.97891249765 780 5.196 997.51923 w/o MS2:DLCL 20:3_22:6 [M-H]- ion correlated with 283 0.25 False 7.81 997.5213 C51H84O15P2 DLCL FNGUBHVIPDSJBO-UHFFFAOYSA-N O=C(OCC(O)COP(=O)(O)OCC(O)COP(=O)(O)OCC(O)COC(=O)CCCCCCCCCC=CCC=CCC=CCC)CCC=CCC=CCC=CCC=CCC=CCC=CCC 530 True True False False False null null 97.9 100 null null null 163.5 YILU0372-neg-2 997.51923:8590 998.52258:10099 999.52594:5356 0 0 0 0 40829 42724 44026 46050 42572 45719 51295 51394 53562 50233 50642 48578 0 43653.4270833333 50950.6315104167 0 2007.95759369145 1635.50563407759 781 6.366 997.51965 w/o MS2:DLCL 20:3_22:6 [M-H]- ion correlated with 734 0.562 True 7.81 997.5213 C51H84O15P2 DLCL FNGUBHVIPDSJBO-UHFFFAOYSA-N O=C(OCC(O)COP(=O)(O)OCC(O)COP(=O)(O)OCC(O)COC(=O)CCCCCCCCCC=CCC=CCC=CCC)CCC=CCC=CCC=CCC=CCC=CCC=CCC 530 True True False False False null null 99.7 100 null null null 357.92 YILU0373-neg-3 997.51965:20402 998.523:20897 999.52636:11874 586.16858:99 587.17926:77 937.4931:185 937.58728:50 997.22406:58 997.32483:72 997.5177:13286 997.75916:64 997.78784:51 0 0 0 0 129870 132866 126716 132179 134462 136983 142320 141980 142613 139252 132341 144137 0 132179.27734375 140440.65625 0 3575.92044133091 4273.09274491446 782 6.218 997.52026 w/o MS2:DLCL 20:3_22:6 [M-H]- 0.75 True 7.81 997.5213 C51H84O15P2 DLCL FNGUBHVIPDSJBO-UHFFFAOYSA-N O=C(OCC(O)COP(=O)(O)OCC(O)COP(=O)(O)OCC(O)COC(=O)CCCCCCCCCC=CCC=CCC=CCC)CCC=CCC=CCC=CCC=CCC=CCC=CCC 530 True True False False False null null 99.9 100 null null null 568.2 YILU0371-neg-1 997.52026:44424 998.52361:43802 999.52697:25997 442.16666:53 485.18344:71 511.15729:104 526.14728:55 583.18188:199 587.18842:50 599.1767:285 877.48932:55 878.4834:992 879.48639:195 893.50684:124 894.54041:52 909.49567:239 937.39935:119 937.49573:5128 938.5014:165 997.5191:16649 997.85815:53 0 0 0 0 154274 160468 171794 287061 272359 285362 164439 161499 161003 215573 213445 220273 0 221886.236979167 189372.0234375 0 65844.1752481977 29746.2211332364 783 5.522 997.61224 w/o MS2:DGDG 14:0_22:5 [M+Hac-H]- ion correlated with 432; adduct linked to 706_[M-H]- 0.75 True 8.85 997.61047 C51H86O15 DGDG DXNXKWQBLDDJSU-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)CCCCCCCCCCCCC 530 True True False False False null null 99.6 99.9 null null null 1527.35 YILU0372-neg-3 997.61224:83532 998.61559:63275 999.61895:20272 89.02372:80 113.02449:97 161.04535:92 235.08534:89 259.08206:54 277.21555:587 279.17813:68 279.21338:104 279.23227:864 301.08829:57 323.09732:67 379.12338:632 397.13538:652 415.14307:197 565.29932:61 657.30573:75 657.34735:928 658.35156:81 659.36475:1024 675.35571:455 677.37335:652 937.34717:55 937.58972:39268 938.07129:88 938.10522:64 938.1571:98 938.22253:93 938.26825:74 938.35669:59 938.51361:102 938.5899:965 938.7265:120 938.85315:62 938.89954:57 939.00146:76 939.05725:62 997.51532:483 997.60962:3917 0 0 0 0 622812 621868 620636 627947 627252 616880 632358 621897 640923 578658 564469 585020 0 622899.0625 603887.541666667 0 4167.78851599532 31789.3832589412 784 6.002 999.62787 w/o MS2:DGDG 14:0_22:4 [M+Hac-H]- ion correlated with 619; adduct linked to 707_[M-H]- 0.75 True 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 99.7 100 null null null 1212.2 YILU0371-neg-1 999.62787:62937 1000.63122:46269 1001.63458:14319 59.01449:77 71.00977:63 89.02363:69 113.02414:50 159.03004:59 277.21695:319 279.23196:165 281.22833:66 281.24673:465 287.07941:96 305.08813:51 379.12393:648 397.10419:116 397.13571:529 415.14844:58 657.34552:532 659.36511:89 661.3172:91 661.37878:1163 675.35583:264 679.38782:374 939.39142:68 939.6048:28117 939.89331:60 939.9599:65 940.02826:61 940.13977:87 940.20764:59 940.28265:57 940.3797:57 940.51239:129 940.60602:830 940.68695:56 940.86383:85 940.91028:53 999.36951:70 999.53149:813 999.62451:2497 0 0 0 0 477608 459751 472845 478678 474706 486942 486528 468151 484222 443704 432532 453585 0 475088.328125 461453.604166667 0 8945.99594831812 21933.556171492 785 9.258 999.81714 w/o MS2:SM 24:1;2O(FA 26:0) [M-H]- ion correlated with 454 0.125 False 13.63 999.8111 C55H109N2O7P ASM KFNAEXMWRMKMBN-UHFFFAOYSA-N O=C(OC(C=CCCCCCCC)C(NC(=O)CCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C)CCCCCCCCCCCCCCCCCCCCCCCCC 530 True True False False False null null 83.3 99.9 null null null 167.27 YILU0372-neg-3 999.81714:8698 1000.82049:6087 1001.82385:2549 0 0 0 0 57605 59711 62550 60971 60265 60282 59725 62572 71238 51188 48487 46231 0 60230.7122395833 56573.5130208333 0 1618.02936914649 9615.82250154936 786 10.549 999.85382 w/o MS2:RIKEN N-VS1 ID-8426 from Mouse_AdrenalGlands_WT_N_Ctr [M-H]- 0.75 False 8.46 999.85608 Unknown 530 True True False False False null null 97.5 100 null null null 99.73 YILU0371-neg-1 999.85382:5482 1000.85717:6133 1001.86053:2449 0 0 0 0 32486 32477 30865 34279 32300 29617 29861 31364 29879 32201 31843 32569 0 32003.8932291667 31286.4853515625 0 1594.74945929275 1167.1007293258 787 5.823 1000.53748 Unknown [M-H]- ion correlated with 856; ion correlated with 873; ion correlated with 652; ion correlated with 196 0.375 False null null null null null null 999 False False False False False null null null null null null null 74.77 YILU0373-neg-3 1000.53748:4072 1001.54083:2345 1002.54419:692 0 0 0 0 38567 39589 38976 36722 36011 34581 39539 41959 39430 45763 47212 45472 0 37407.65625 43229.1790364583 0 1948.04148967667 3375.76082129611 788 7.288 1001.55029 w/o MS2:DLCL 20:1_22:6 [M+Hac-H]- adduct linked to 775_[M+FA-H]- 0.75 True 8.14 1001.55261 C51H88O15P2 DLCL NPRNIJGQNJIBAO-UHFFFAOYSA-N O=C(OCC(O)COP(=O)(O)OCC(O)COP(=O)(O)OCC(O)COC(=O)CCCCCCCCCC=CCCCCCCCC)CCC=CCC=CCC=CCC=CCC=CCC=CCC 530 True True False False False null null 99.3 100 null null null 380.39 YILU0373-neg-3 1001.55029:26906 1002.55364:26692 1003.557:14389 547.22321:114 1001.32117:81 1001.36511:100 1001.54987:16962 1001.72314:87 1001.82092:86 1001.89349:68 1002.03802:76 0 0 0 0 94186 95071 97288 181788 182982 183756 143747 148808 147332 209577 210917 213577 0 139178.401041667 178992.989583333 0 47845.4571528614 35514.680843389 789 6.555 1001.64258 w/o MS2:DGDG 14:0_22:3 [M+Hac-H]- ion correlated with 240; ion correlated with 563; adduct linked to 708_[M-H]- 0.75 False 9.81 1001.64178 C51H90O15 DGDG KOAXRGBNGQCCES-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCCCC=CCC=CCC=CCCCCC)COC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O)CCCCCCCCCCCCC 530 True True False False False null null 99.7 99.9 null null null 294.53 YILU0371-neg-2 1001.64258:15874 1002.64593:10764 1003.64929:3380 0 0 0 0 105216 106880 105287 111892 113249 108604 109582 110523 112201 97004 93925 98166 0 108521.42578125 103566.876302083 0 3399.96782280181 8053.89177808656 790 10.256 1001.83234 w/o MS2:SM 24:0;2O(FA 26:0) [M-H]- ion correlated with 106 0.562 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 85.4 99.9 null null null 116 YILU0372-neg-1 1001.83234:6990 1002.83569:8891 1003.83905:4011 0 0 0 0 37039 37831 33705 36993 37391 35124 41250 38402 37971 31662 27547 27017 0 36347.205078125 33974.7721354167 0 1591.77747412401 6059.27052091675 791 9.455 1001.83331 w/o MS2:SM 24:0;2O(FA 26:0) [M-H]- 0.75 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 80.5 99.9 null null null 244.94 YILU0372-neg-2 1001.83331:15144 1002.83666:11821 1003.84002:3918 0 0 0 0 152905 148869 144954 161391 152551 133943 153303 155178 151749 123836 118561 114521 0 149102.216145833 136191.334635417 0 9213.34641079951 19122.6548067225 792 10.449 1003.84839 w/o MS2:SM 50:0;3O [M-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 95.7 99.9 null null null 290.04 YILU0370-neg-2 1003.84839:15254 1004.85174:14974 1005.8551:5535 150.06921:60 255.23032:69 389.30573:405 459.73248:54 943.78925:239 1003.45221:53 1003.84711:9874 1003.98517:85 1004.16803:58 1004.2074:94 1004.25165:67 1004.29834:52 0 0 0 0 102668 105545 103220 103895 101242 91117 103865 99720 99411 99184 100064 93306 0 101281.118489583 99258.3815104167 0 5176.97643304621 3392.41726913354 793 9.889 1003.84979 w/o MS2:SM 50:0;3O [M-H]- 0.5 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 93.5 99.9 null null null 825.48 YILU0372-neg-3 1003.84979:45730 1004.85314:41674 1005.8565:14511 374.28168:113 764.61224:63 765.61652:156 1003.62451:83 1003.84894:26030 1004.11127:59 1004.21954:73 0 0 0 0 359876 507812 494714 507192 491455 503799 557841 370254 429778 412895 325449 410900 0 477474.583333333 417852.838541667 0 57997.5964742851 78250.7156168241 794 9.7 1003.85016 w/o MS2:SM 50:0;3O [M-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 92.8 99.9 null null null 1088.91 YILU0372-neg-1 1003.85016:60142 1004.85351:55837 1005.85687:17410 188.08417:54 374.23297:59 374.28098:633 764.60913:115 765.61652:363 985.82111:89 1003.59766:95 1003.8493:37275 1004.17059:92 0 0 0 0 444726 416623 428692 452821 467262 434482 478223 488495 446198 411338 406252 381431 0 440767.572916667 435322.869791667 0 18062.0666846128 42686.4230873832 795 9.892 1004.85352 w/o MS2:HexCer 17:0;2O/38:3;O [M-H]- 0.125 False 13.72 1004.84991 C61H115NO9 HexCer_HDS JGJIQUWVIFEVRH-UHFFFAOYSA-N O=C(NC(COC1OC(CO)C(O)C(O)C1O)C(O)CCCCCCCCCCCCCC)C(O)CCCCCCCCCCCCCCCCCCCCCC=CCC=CCC=CCCCCCCC 530 True True False False False null null 93.7 99.9 null null null 674.64 YILU0372-neg-1 1004.85352:35583 1005.85687:14971 1006.86023:2897 0 0 0 0 245151 355264 341421 362051 343091 356066 401130 376449 375936 327402 277856 287799 0 333840.75 341095.270833333 0 44175.8866449468 51176.4283393147 796 5.389 1007.5954 w/o MS2:DGDG 15:1_22:6 [M+FA-H]- ion correlated with 352; adduct linked to 733_[M-H]- 0.75 False 8.7 1007.59491 C52H84O15 DGDG XXOSCHCDEBWZFP-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=CCCCCC 530 True True False False False null null 99.9 99.9 null null null 204.25 YILU0370-neg-1 1007.5954:10901 1008.59875:7531 1009.60211:2055 0 0 0 0 82607 79587 78472 80550 81347 79063 78035 80726 75884 73826 75107 72790 0 80271.00390625 76061.3502604167 0 1539.49163156572 2908.4687303343 797 2.559 1007.64624 Unknown [M-H]- ion correlated with 642 0.688 False null null null null null null 999 False False False False False null null null null null null null 88.55 YILU0371-neg-2 1007.64624:5610 1008.64959:5398 1009.65295:1703 0 0 0 0 32136 33861 27895 33039 35954 31158 15959 19895 19454 25433 25811 25001 0 32340.6682942708 21925.3675130208 0 2722.60104783429 4066.58671927213 798 10.318 1009.83881 w/o MS2:SM 14:1;2O/38:2 [M-H]- 0.75 True 13.52 1009.83179 C57H111N2O6P SM ZYBBDHQZKHMVHJ-UHFFFAOYSA-N O=C(NC(COP(=O)([O-])OCC[N+](C)(C)C)C(O)C=CCCCCCCCCC)CCCCCCCCCCCCCCCCCCCCCCCCCC=CCC=CCCCCCCC 530 True True False False False null null 94.1 99.9 null null null 398.42 YILU0372-neg-1 1009.83881:21397 1010.84216:23796 1011.84552:8114 149.06041:72 396.26562:162 748.61639:153 1009.57202:70 1009.83777:15926 1009.95746:90 1010.00354:98 1010.12891:113 1010.25531:51 0 0 0 0 137051 137364 133688 142790 141471 134273 144203 132539 132304 136815 126463 122268 0 137772.786458333 132431.837239583 0 3700.70738115884 7703.5618289751 799 10.31 1010.84076 w/o MS2:HexCer 19:0;2O/38:6 [M-H]- ion correlated with 150 0.062 False 13.7 1010.83929 C63H113NO8 HexCer_NDS TUXUHLSZRJOEAH-UHFFFAOYSA-N O=C(NC(COC1OC(CO)C(O)C(O)C1O)C(O)CCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCCC=CCC=CCC=CCC=CCC=CCC=CCC 530 True True False False False null null 98.9 99.9 null null null 283.92 YILU0372-neg-3 1010.84076:14196 1011.84411:6652 1012.84747:1378 0 0 0 0 97914 98983 97336 105400 104073 98273 106272 94191 97206 95967 92600 87252 0 100330.01953125 95581.2942708333 0 3480.47053779328 6281.22223771979 800 6.717 1011.52966 w/o MS2:DLCL 21:3_22:6 [M-H]- 0.25 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 93.8 100 null null null 91.08 YILU0373-neg-3 1011.52966:5072 1012.53301:7240 1013.53637:3916 599.15997:64 1011.41388:53 1011.52893:3187 0 0 0 0 13172 12074 11819 30596 32732 19492 37281 20448 41575 52667 38289 34088 0 19980.7265625 37391.4156901042 0 9497.69317445572 10484.9599278649 801 10.473 1011.8526 w/o MS2:CL 28:0_28:0_28:0_28:0 [M-H]- 0.75 False 15.94 1011.85437 C121H238O17P2 CL MOVNSAUWYHHSSG-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCC)COP(=O)(O)OCC(O)COP(=O)(O)OCC(OC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCCCCCCCCCCC 530 True True False False False null null 98.4 99.9 null null null 118.56 YILU0370-neg-1 1011.8526:6368 1012.85595:6175 1013.85931:2260 0 0 0 0 45766 44654 43359 42832 39962 40798 43096 41028 40017 44123 42459 41947 0 42894.9954427083 42111.4381510417 0 2215.80673796032 1464.4889967587 802 7.284 1013.54956 w/o MS2:DLCL 21:2_22:6 [M-H]- 0.75 False 8.1 1013.55261 C52H88O15P2 DLCL ZKAQVNZCIPAGNE-UHFFFAOYSA-N O=C(OCC(O)COP(=O)(O)OCC(O)COP(=O)(O)OCC(O)COC(=O)CCCCCCCCCC=CCC=CCCCCCC)CCC=CCC=CCC=CCC=CCC=CCC=CCC 530 True True False False False null null 95.5 100 null null null 154.09 YILU0371-neg-2 1013.54956:9038 1014.55291:10370 1015.55627:6327 0 0 0 0 46891 46637 43914 64495 64951 61719 53836 54490 55523 62286 62358 61396 0 54767.8216145833 58314.8359375 0 9925.83917125363 4101.23981291283 803 6.093 1013.55017 w/o MS2:DLCL 21:2_22:6 [M-H]- ion correlated with 223; ion correlated with 556 0.438 True 8.1 1013.55261 C52H88O15P2 DLCL ZKAQVNZCIPAGNE-UHFFFAOYSA-N O=C(OCC(O)COP(=O)(O)OCC(O)COP(=O)(O)OCC(O)COC(=O)CCCCCCCCCC=CCC=CCCCCCC)CCC=CCC=CCC=CCC=CCC=CCC=CCC 530 True True False False False null null 99.3 100 null null null 227.94 YILU0372-neg-3 1013.55017:14585 1014.55352:11427 1015.55688:6557 603.21088:79 849.57605:52 953.52112:156 967.63159:168 1013.38861:61 1013.54901:5464 1013.68768:126 0 0 0 0 226875 227600 213211 197074 202209 201089 248094 245451 252599 240055 214170 232897 0 211343.059895833 238877.864583333 0 13425.3580940385 13885.5214297182 804 5.797 1013.5517 w/o MS2:DLCL 21:2_22:6 [M-H]- ion correlated with 851 0.75 True 8.1 1013.55261 C52H88O15P2 DLCL ZKAQVNZCIPAGNE-UHFFFAOYSA-N O=C(OCC(O)COP(=O)(O)OCC(O)COP(=O)(O)OCC(O)COC(=O)CCCCCCCCCC=CCC=CCCCCCC)CCC=CCC=CCC=CCC=CCC=CCC=CCC 530 True True False False False null null 99.9 100 null null null 1169.31 YILU0372-neg-2 1013.5517:63807 1014.55505:54874 1015.55841:31013 571.18909:123 585.2027:52 602.19739:209 603.20673:272 657.22156:204 874.51178:51 921.50055:69 939.52203:53 953.52814:707 953.6026:118 1013.28754:65 1013.55176:31009 1013.90771:81 0 0 0 0 618754 624343 628988 576275 580263 569468 685882 683382 673918 690641 706720 686279 0 599681.947916667 687803.739583333 0 27087.3051359632 10809.7818860553 805 10.638 1013.86951 w/o MS2:SM 14:1;2O/38:0 [M-H]- 0.75 True 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 95.1 99.9 null null null 335.57 YILU0373-neg-1 1013.86951:18177 1014.87286:17913 1015.87622:5940 400.29745:202 748.61243:132 1013.17603:62 1013.61847:56 1013.73151:100 1013.8689:9971 1014.00879:103 1014.05609:56 1014.13092:54 0 0 0 0 130233 129136 128969 130153 127448 125018 122567 117312 121531 136072 125602 124677 0 128492.786458333 124626.9140625 0 1979.4985895072 6313.24070340471 806 9.326 1017.82758 Unknown [M-H]- 0.75 False null null null null null null 999 False False False False False null null null null null null null 79.45 YILU0372-neg-2 1017.82758:5345 1018.83093:4519 1019.83429:3005 0 0 0 0 49662 48962 49107 51565 52233 52166 57514 53394 52372 50776 47877 46156 0 50615.9680989583 51348.0071614583 0 1538.88463545013 4064.3774423001 807 4.927 1019.59509 w/o MS2:DGDG 16:2_22:6 [M-H]- ion correlated with 502 0.75 False 8.66 1019.59491 C53H84O15 DGDG OUUSMMQOHFSKDL-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=CCCC 530 True True False False False null null 100 99.9 null null null 84.45 YILU0372-neg-2 1019.59509:4641 1020.59844:4535 1021.6018:1289 0 0 0 0 26858 27529 28771 28044 30214 28423 31313 31445 30458 26884 28511 27169 0 28306.5358072917 29296.8138020833 0 1152.28713120616 2049.02032869034 808 9.567 1019.84399 Unknown [M-H]- 0.75 True null null null null null null 999 False False False False False null null null null null null null 424.33 YILU0370-neg-1 1019.84442:22103 1020.84777:20709 1021.85113:6263 151.0408:75 255.23196:610 390.27744:178 763.60284:340 764.60602:73 781.61255:106 1001.69257:55 1001.83136:1751 1002.83435:89 1019.84277:8223 1020.16345:51 0 0 0 0 200106 209174 200895 220131 219805 216667 214365 216280 204349 209191 198881 206426 0 211129.856770833 208248.6328125 0 9132.83971690457 6466.77953616107 809 5.389 1021.61157 w/o MS2:DGDG 16:1_22:6 [M+Hac-H]- adduct linked to 733_[M-H]- 0.75 True 8.74 1021.61047 C53H86O15 DGDG FEWNVQNCXFVURA-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=CCCCCCC 530 True True False False False null null 99.9 99.9 null null null 1056.55 YILU0372-neg-2 1021.61157:56486 1022.61492:43607 1023.61828:13789 59.01448:54 71.013:88 235.08165:57 259.0816:52 277.21628:612 303.23203:1073 305.09146:64 379.12341:555 397.09665:59 397.13495:521 541.00891:84 657.29474:92 657.3479:778 675.35791:398 683.36328:655 701.37775:281 961.34033:82 961.41077:145 961.58881:20506 961.83191:64 962.06268:73 962.13708:65 962.25403:55 962.34149:89 962.54553:160 962.58813:812 962.73645:50 963.00269:53 1021.47687:100 1021.60748:2603 0 0 0 0 389075 385585 385560 402764 407826 404347 414985 420059 425970 375916 370417 371557 0 395859.520833333 396484.208333333 0 10203.7532112436 26425.0018250551 810 5.672 1023.62714 w/o MS2:DGDG 16:0_22:6 [M-H]- ion correlated with 400 0.75 False 9.01 1023.62622 C53H88O15 DGDG BYMHFSUGOAPNIA-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)CCCCCCCCCCCCCCC 530 True True False False False null null 99.6 99.9 null null null 177.58 YILU0372-neg-1 1023.62714:9340 1024.63049:6656 1025.63385:2567 0 0 0 0 63209 64819 62427 62552 64275 65231 68496 66842 65240 62897 60365 60754 0 63752.2018229167 64099.091796875 0 1190.64264683462 3308.55676517824 811 10.646 1023.82959 w/o MS2:ASG 28:2;O;Hex;FA 28:1 [M-H]- 0.75 False 14.3 1023.82343 C62H108O7 AHexBRS BIYXXDZTJZVJRG-UHFFFAOYSA-N O=C(OCC1OC(OC2CC3=CCC4C(CCC5(C)C(CCC45)C(C=CC(C)C(C)C)C)C3(C)CC2)C(O)C(O)C1O)CCCCCCCCCCCCCCCC=CCCCCCCCCCC 530 True True False False False null null 82.7 99.9 null null null 81.87 YILU0371-neg-3 1023.82959:4445 1024.83294:3340 1025.8363:2150 0 0 0 0 35060 31841 32348 35470 34980 35662 33170 35515 30710 33685 33365 31745 0 34226.9124348958 33031.6341145833 0 1678.70762158468 1659.71779620732 812 7.883 1025.58435 Unknown [M-H]- 0.188 False null null null null null null 999 False False False False False null null null null null null null 79.85 YILU0371-neg-2 1025.58435:4142 1026.5877:4354 1027.59106:2354 0 0 0 0 24406 22788 23729 27829 28620 27250 22121 23571 22175 19908 22001 20260 0 25770.3274739583 21672.8134765625 0 2427.84318060768 1361.75435896418 813 6.106 1025.64062 w/o MS2:DGDG 16:0_22:5 [M+Hac-H]- adduct linked to 739_[M-H]- 0.75 False 9.3 1025.64185 C53H90O15 DGDG QUZKXLHWSDVYFG-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)CCCCCCCCCCCCCCC 530 True True False False False null null 99.3 99.9 null null null 165.43 YILU0372-neg-3 1025.64062:9016 1026.64398:6540 1027.64734:2061 0 0 0 0 62309 59772 61664 61466 63636 64632 65187 61894 63683 59973 55874 58426 0 62246.603515625 60839.53125 0 1714.35480841316 3444.57601504706 814 9.529 1025.83167 w/o MS2:SM 26:2;2O(FA 26:0) [M-H]- 0.062 False 13.64 1025.82666 C57H111N2O7P ASM PBWNRAHWUQYALO-UHFFFAOYSA-N O=C(OC(C=CCCCCCCC)C(NC(=O)CCCCCCCC=CCCCC)COP(=O)([O-])OCC[N+](C)(C)C)CCCCCCCCCCCCCCCCCCCCCCCCC 530 True True False False False null null 88.2 99.9 null null null 98.43 YILU0372-neg-2 1025.83167:5052 1026.83502:5500 1027.83838:2545 0 0 0 0 37196 35058 35278 38921 36459 36114 40459 39901 37087 31409 30912 27481 0 36504.3919270833 34541.3343098958 0 1419.20716703054 5348.8833538506 815 5.917 1029.51355 Unknown [M+FA-H]- ion correlated with 196; ion correlated with 891; adduct linked to 769_[M-H]- 0.25 False null null null null null null 999 False False False False False null null null null null null null 67.4 YILU0373-neg-1 1029.51355:3770 1030.5169:3987 1031.52026:2433 0 0 0 0 20199 20785 19511 18130 17907 21184 19644 20612 20833 22126 17614 22933 0 19619.3753255208 20627.2115885417 0 1364.38279892607 1878.78911073247 816 5.72 1029.54382 w/o MS2:MLCL 16:4_12:0_15:3 [M-H]- 0.375 False 7.89 1029.54749 C52H88O16P2 MLCL ZGBCDVDYARLCQT-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCC=CCC=CCC=CCC)COP(=O)(O)OCC(O)COP(=O)(O)OCC(O)COC(=O)CCCCCCCCCCC)CCC=CCC=CCC=CCC=CCC 530 True True False False False null null 93.5 100 null null null 115.31 YILU0373-neg-2 1029.54382:6316 1030.54717:6504 1031.55053:3493 0 0 0 0 25260 25132 27240 46337 47671 48480 41983 39270 47294 53587 56037 54640 0 36686.4837239583 48801.7845052083 0 11884.402628426 7056.04595662737 817 6.262 1029.54492 w/o MS2:MLCL 16:4_12:0_15:3 [M-H]- 0.188 False 7.89 1029.54749 C52H88O16P2 MLCL ZGBCDVDYARLCQT-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCC=CCC=CCC=CCC)COP(=O)(O)OCC(O)COP(=O)(O)OCC(O)COC(=O)CCCCCCCCCCC)CCC=CCC=CCC=CCC=CCC 530 True True False False False null null 96.8 100 null null null 165.82 YILU0373-neg-1 1029.54492:8816 1030.54827:7258 1031.55163:3210 0 0 0 0 37317 36231 34630 66493 67052 63834 57463 54588 54440 88242 85829 88146 0 50926.318359375 71451.2102864583 0 16344.5463785075 17531.6835352238 818 6.424 1029.54578 w/o MS2:MLCL 16:4_12:0_15:3 [M+FA-H]- adduct linked to 824_[M+Hac-H]- 0.75 False 7.89 1029.54749 C52H88O16P2 MLCL ZGBCDVDYARLCQT-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCC=CCC=CCC=CCC)COP(=O)(O)OCC(O)COP(=O)(O)OCC(O)COC(=O)CCCCCCCCCCC)CCC=CCC=CCC=CCC=CCC 530 True True False False False null null 98.6 100 null null null 209.96 YILU0373-neg-1 1029.54578:13067 1030.54913:13630 1031.55249:6661 0 0 0 0 66091 65180 65958 107871 106893 105087 86487 84313 87195 125854 118886 120827 0 86180.0755208333 103926.977864583 0 22407.593121219 19793.8125255912 819 7.694 1033.552 Unknown [M-H]- 0.75 True null null null null null null 999 False False False False False null null null null null null null 208.85 YILU0370-neg-1 1033.55225:11686 1034.5556:10023 1035.55896:5480 139.00456:142 141.01682:625 891.52582:92 919.5238:61 951.38733:105 951.54779:4295 952.55328:106 973.52728:296 1033.48669:63 1033.55054:589 0 0 0 0 104657 102016 106351 107303 106764 104232 102751 104813 108611 109617 112006 114215 0 105220.6328125 108668.825520833 0 1977.94577436494 4305.3991047025 820 1.435 1035.46655 Unknown [M-H]- 0.75 True null null null null null null 999 False False False False False null null null null null null null 734.06 YILU0370-neg-1 1035.46558:45249 1036.46893:48579 1037.47229:26391 80.96537:4991 227.12863:116 331.18948:55 421.2265:33314 421.44531:86 421.62668:68 421.86105:54 421.89734:52 422.22894:582 0 0 0 0 300713 309916 278746 404840 397026 366681 20935 38641 40566 248289 255713 283346 0 342986.994791667 147915.257161458 0 53507.3295473986 126194.519289509 821 7.109 1039.56543 Unknown [M-H]- 0.75 True null null null null null null 999 False False False False False null null null null null null null 276.85 YILU0371-neg-2 1039.56543:18988 1040.56878:22444 1041.57214:11682 59.01447:63 597.20197:52 599.17682:189 614.19269:61 629.22437:73 878.4812:286 979.54736:112 1039.30334:56 1039.38306:89 1039.43079:186 1039.5647:12491 1039.71155:94 1039.82141:54 0 0 0 0 73545 75509 78029 114121 121447 116589 79000 79203 81843 80161 84372 87506 0 96539.9309895833 82013.984375 0 23000.5832526683 3351.91929402211 822 5.637 1039.60132 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 67.36 YILU0373-neg-1 1039.60132:3527 1040.60467:3167 1041.60803:868 0 0 0 0 9283 8926 8907 7354 7573 8016 25623 24585 25176 26311 25355 23945 0 8343.1123046875 25165.9078776042 0 802.528958188047 822.398217500819 823 6.393 1041.58057 w/o MS2:DGDG 18:5_22:6 [M-H]- ion correlated with 828; ion correlated with 598; ion correlated with 379; ion correlated with 533 0.188 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 99.1 100 null null null 70.16 YILU0370-neg-3 1041.58057:3666 1042.58392:2927 1043.58728:0 0 0 0 0 55116 55000 57013 46979 45616 48651 46869 48104 46158 46788 48008 46283 0 51395.837890625 47035.1490885417 0 4875.05003282916 838.047941315687 824 6.424 1043.56238 w/o MS2:MLCL 17:4_12:0_15:3 [M+Hac-H]- adduct linked to 818_[M+FA-H]- 0.75 True 8.06 1043.56311 C53H90O16P2 MLCL LULYQPPUUQEYCX-UHFFFAOYSA-N O=C(OCC(O)COP(=O)(O)OCC(O)COP(=O)(O)OCC(OC(=O)CCCCC=CCC=CCC=CCC)COC(=O)CCCC=CCC=CCC=CCC=CCC)CCCCCCCCCCC 530 True True False False False null null 99.9 100 null null null 1004.01 YILU0371-neg-2 1043.56238:60082 1044.56573:67717 1045.56909:35613 48.51015:71 127.00261:67 586.16754:68 936.49432:58 983.5932:117 997.5174:158 1043.25122:73 1043.30151:65 1043.56177:39880 1043.99231:102 0 0 0 0 277182 280371 276961 438169 438698 434411 324669 322893 327190 437870 412578 432130 0 357632 376221.6875 0 87066.0018991228 56839.6275389521 825 6.8 1047.52637 Unknown [M-H]- ion correlated with 829; ion correlated with 755 0.75 True null null null null null null 999 False False False False False null null null null null null null 91.26 YILU0370-neg-1 1047.52844:4956 1048.53179:4214 1049.53515:2156 905.49561:114 965.36328:62 965.44611:74 965.52637:2102 966.5304:98 987.50604:330 1047.52856:197 0 0 0 0 60289 57621 59678 38241 58473 59582 38684 40563 61882 58915 48608 53742 0 55647.3932291667 50399.0579427083 0 8580.66794843682 9515.85286026555 826 7.673 1051.5116 Unknown [M-H]- ion correlated with 819; ion correlated with 890 0.75 True null null null null null null 999 False False False False False null null null null null null null 188.75 YILU0370-neg-1 1051.5116:10780 1052.51495:11393 1053.51831:6661 100.93353:312 158.97562:931 697.16351:51 991.50311:54 993.47266:53 1051.38684:70 1051.51196:4138 0 0 0 0 88542 122422 85639 84186 85826 78131 83014 84757 78048 84031 108208 82583 0 90791.01171875 86773.5638020833 0 15878.844592889 10759.774901494 827 6.617 1057.57495 w/o MS2:MLCL 18:5_12:0_15:2 [M-H]- 0.75 False 8.11 1057.57886 C54H92O16P2 MLCL SOTZOUBTYKJGSW-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCC=CCC=CCCC)COP(=O)(O)OCC(O)COP(=O)(O)OCC(O)COC(=O)CCCCCCCCCCC)CC=CCC=CCC=CCC=CCC=CCC 530 True True False False False null null 92.7 100 null null null 129.01 YILU0373-neg-3 1057.57495:8050 1058.5783:8250 1059.58166:3490 0 0 0 0 47816 47643 46487 56916 56277 57243 35631 33091 33889 61787 62381 63713 0 52063.6575520833 48415.3470052083 0 5230.94201073707 15602.2027379876 828 6.343 1057.62781 w/o MS2:PI 24:0_22:6;4O [M-H]- ion correlated with 379; ion correlated with 666 0.625 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 90.8 100 null null null 74.54 YILU0370-neg-2 1057.62781:4095 1058.63116:2615 1059.63452:823 0 0 0 0 30298 32330 29597 28074 28977 28505 29495 29140 28379 29818 27344 28911 0 29630.1389973958 28847.8821614583 0 1539.64736987558 886.480964695243 829 6.757 1065.48767 Unknown [M-H]- ion correlated with 755; ion correlated with 825 0.75 True null null null null null null 999 False False False False False null null null null null null null 88.93 YILU0370-neg-1 1065.48767:5154 1066.49102:4471 1067.49438:2871 118.83875:119 158.97621:144 967.52771:75 1007.44958:103 1065.3302:53 1065.3761:91 1065.48486:3101 0 0 0 0 60691 57246 56956 51910 54368 50651 24190 24260 54333 45834 39547 45105 0 55303.5475260417 38877.9921875 0 3730.06996771465 12295.3690246159 830 8.051 1067.73975 Unknown [M-H]- ion correlated with 278 0.188 False null null null null null null 999 False False False False False null null null null null null null 65.28 YILU0370-neg-2 1067.73975:3411 1068.7431:3691 1069.74646:1189 0 0 0 0 20546 22719 21914 19800 20158 18560 13725 13232 12715 15135 14116 13973 0 20616.0305989583 13815.8138020833 0 1497.78673639743 826.490904072401 831 7.166 1072.73816 w/o MS2:PC O-26:0_22:5;4O [M-H]- ion correlated with 683; ion correlated with 628 0.75 False 10.23 1072.74353 C56H104NO12P EtherOxPC FUECFQMJEZPHBG-UHFFFAOYSA-N O=C(OC(COCCCCCCCCCCCCCCCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C)CC(O)CC(O)C(O)C=CCC=CCC=CCC=CCC=CC(O)CO 530 True True False False False null null 86.6 100 null null null 94.96 YILU0372-neg-1 1072.73816:5348 1073.74151:5577 1074.74487:1820 0 0 0 0 32066 32230 30446 31642 32105 32585 35109 34599 35037 28155 24827 27858 0 31845.677734375 30931.0061848958 0 749.774426341762 4520.66063575768 832 2.451 1113.59351 w/o MS2:GM3 32:6;2O [M-H]- 0.75 True 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 99.2 99.9 null null null 653.02 YILU0373-neg-2 1113.59351:40384 1114.59686:44409 1115.60022:22985 78.95925:54 288.29337:391 484.33179:103 485.33578:854 1113.34863:83 1113.41187:179 1113.59143:21274 1113.84521:155 1113.90564:68 1113.98193:92 1114.02698:66 1114.08826:70 0 0 0 0 186251 188622 168014 181040 183467 168078 254106 277745 277203 269997 290213 281217 0 179245.385416667 275080.15625 0 9043.42150802144 12198.3106945824 833 10.898 1126.89355 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 66.45 YILU0373-neg-1 1126.89355:3552 1127.8969:4590 1128.90026:1661 0 0 0 0 20430 18383 16539 18746 18147 17458 15488 15406 15317 22611 22055 20110 0 18283.9225260417 18497.9326171875 0 1309.68824030725 3490.21065996136 834 2.502 1189.75269 w/o MS2:DGDG O-26:7_26:7 [M-H]- 0.75 True 11.23 1189.74084 C67H102O14 EtherDGDG PSUHTANLUHFAAN-UHFFFAOYSA-N O=C(OC(COCCCCC=CCC=CCC=CCC=CCC=CCC=CCC=CCC)COC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O)CCCC=CCC=CCC=CCC=CCC=CCC=CCC=CCC 530 True True False False False null null 88.4 99.6 null null null 257.23 YILU0371-neg-3 1189.75269:16454 1190.75604:15096 1191.7594:5326 214.04837:52 288.29355:316 484.32867:254 485.33734:14725 485.44922:66 485.47522:84 485.73962:59 485.8009:50 485.8541:87 486.33948:150 486.60098:64 703.4104:101 1189.7113:72 1189.75769:105 0 0 0 0 86876 82556 93339 106734 103797 109952 58954 52318 51970 98282 97878 92719 0 97209.08984375 75353.4772135417 0 11251.6147834033 23156.009369462 835 7.697 1223.80237 w/o MS2:GM3 39:0;2O [M-H]- ion correlated with 329; ion correlated with 421 0.5 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 96.8 100 null null null 87.5 YILU0370-neg-1 1223.80237:5811 1224.80572:7084 1225.80908:4396 0 0 0 0 52757 52344 50594 52272 51960 51263 53375 50566 53296 54617 53385 51240 0 51864.876953125 52746.361328125 0 797.320981254182 1524.76272942614 836 1.451 1227.46826 Unknown [2M-H]- ion correlated with 299; adduct linked to 268_[M-H]- 0.562 False null null null null null null 999 False False False False False null null null null null null null 98.65 YILU0371-neg-1 1227.46826:6261 1228.47161:8501 1229.47497:5997 0 0 0 0 31848 32960 29059 42872 42493 37657 9584 10995 12248 24925 25958 27111 0 36147.94140625 18470.1844075521 0 5773.18518277235 8318.1388220312 837 6.848 1273.87024 Unknown [M-H]- 0.75 False null null null null null null 999 False False False False False null null null null null null null 183.71 YILU0371-neg-1 1273.87024:10368 1274.87359:17032 1275.87695:9728 0 0 0 0 63609 62620 64177 66125 60630 58625 62839 58899 58008 52660 49306 49212 0 62630.998046875 55153.9348958333 0 2668.6198081657 5602.71810302896 838 2.439 1316.52209 Unknown [M-H]- 0.062 False null null null null null null 999 False False False False False null null null null null null null 60.25 YILU0372-neg-3 1316.52209:3013 1317.52544:3517 1318.5288:1654 0 0 0 0 7315 8610 7757 4278 4627 4341 15665 17082 18112 10015 10975 10371 0 6154.54597981771 13703.2701822917 0 1953.71555212836 3656.46120679695 839 5.311 1339.91028 w/o MS2:PI 34:5_38:10 [2M-H]- adduct linked to 318_[M-H]- 0.75 True 13.45 1339.90979 C81H129O13P PI KLNLXRBPSVBPDQ-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)CCCCCCCCCCCCCCCCCC=CCC=CCC=CCC=CCC=CCC 530 True True False False False null null 100 99.7 null null null 824.63 YILU0370-neg-3 1339.91028:44839 1340.91363:49315 1341.91699:19321 78.95893:367 152.99635:381 255.23206:989 277.21716:528 391.22546:2520 409.10892:61 409.23438:929 413.20935:1671 431.22095:402 669.27563:108 669.45111:34352 669.77124:104 669.80365:75 669.87842:86 669.97644:63 670.08795:61 670.27881:51 670.37445:98 670.45203:468 670.55432:58 670.84875:51 749.41711:650 881.06262:59 1339.90442:115 0 0 0 0 286815 283051 293813 285443 284656 290712 278648 272013 261340 234300 240623 230007 0 287414.895833333 252822.080729167 0 4067.34140218166 20592.3636193205 840 7.753 1341.87878 w/o MS2:GM3 48:4;2O [M-H]- 0.75 True 10.65 1341.87805 C71H126N2O21 GM3 UQFKBWJZUQLIIX-UHFFFAOYSA-N O=C(O)C1(OC2C(O)C(OC(CO)C2O)OC3C(O)C(O)C(OCC(NC(=O)CCCCCCCCCCCCC=CCC=CCC=CCCCCCCC)C(O)C=CCCCCCCCCCCCCCCC)OC3CO)OC(C(O)C(O)CO)C(N=C(O)C)C(O)C1 530 True True False False False null null 100 100 null null null 651.25 YILU0371-neg-2 1341.87878:36144 1342.88213:54539 1343.88549:38633 434.31454:62 449.34207:566 891.52161:60 1288.73792:51 1341.51746:57 1341.59155:86 1341.62952:133 1341.87903:23321 1342.21643:65 1342.32361:79 0 0 0 0 227260 225399 222249 234535 245881 236914 231100 236147 235303 194132 181475 187107 0 232039.604166667 210877.114583333 0 8767.85913560673 25900.0036310489 841 5.741 1343.94104 w/o MS2:PI 34:3_38:10 [M-H]- 0.75 True 13.55 1343.94104 C81H133O13P PI UDUYJYAJRHCKIX-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)CCCCCCCCCCCCCCCCCCC=CCC=CCC=CCCCCCCC 530 True True False False False null null 100 99.7 null null null 651.35 YILU0370-neg-2 1343.94104:36582 1344.94439:45161 1345.94775:18556 78.9601:203 96.96999:61 152.97331:60 152.99594:368 255.23164:954 279.23303:486 351.4696:65 391.22406:2460 409.23465:711 415.22452:1556 433.23358:225 669.25647:60 671.30597:66 671.46606:34689 671.901:74 671.95502:74 671.99658:105 672.11029:87 672.17889:64 672.46826:805 672.57495:63 672.68488:53 673.47186:67 733.42419:67 751.43152:763 1343.9325:124 0 0 0 0 245723 248667 248264 244557 243132 243387 222723 217185 214528 185283 181867 184194 0 245621.604166667 200963.411458333 0 2391.42125019117 19038.9271158288 842 8.124 1362.24792 Unknown [2M-H]- ion correlated with 542; adduct linked to 408_[M+FA-H]- 0.125 False null null null null null null 999 False False False False False null null null null null null null 61.29 YILU0370-neg-3 1362.24792:3071 1363.25127:3905 1364.25463:1741 0 0 0 0 15327 14824 16113 17647 15363 15841 16670 14884 12270 14066 12496 13732 0 15852.546875 14019.8295898438 0 985.877054503167 1627.22488503552 843 8.347 1364.26318 Unknown [M-H]- 0.438 False null null null null null null 999 False False False False False null null null null null null null 71.45 YILU0370-neg-1 1364.26318:3757 1365.26653:6257 1366.26989:2738 0 0 0 0 22217 22293 21046 22183 21756 20038 17586 16935 15442 19124 16339 16930 0 21588.6412760417 17059.3177083333 0 891.051052189909 1241.37763844397 844 5.334 1365.922 w/o MS2:PI 36:6_38:10 [M-H]- ion correlated with 895; ion correlated with 684; ion correlated with 899 0.75 False 13.53 1365.92554 C83H131O13P PI HFEUUUUKTVZVBD-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)CCCCCCCCCCCCCCCCC=CCC=CCC=CCC=CCC=CCC=CCC 530 True True False False False null null 93.9 99.7 null null null 96.37 YILU0370-neg-3 1365.922:5458 1366.92535:6684 1367.92871:2848 0 0 0 0 36042 35576 36511 36762 35044 35307 32089 30635 30698 26580 28361 25447 0 35873.6236979167 28968.2923177083 0 681.615306436427 2606.79558454718 845 8.568 1366.28064 Unknown [M-H]- ion correlated with 450 0.75 True null null null null null null 999 False False False False False null null null null null null null 687.83 YILU0370-neg-1 1366.27942:40406 1367.28277:57721 1368.28613:27055 44.38291:56 382.36612:97 383.35364:385 438.38925:136 680.57159:66 681.56757:53 682.41016:58 682.63605:49472 683.00873:87 683.13623:103 683.18347:83 683.22601:72 683.30988:51 683.37219:88 683.50708:82 683.54425:107 683.63708:1339 683.72925:57 683.76959:50 683.86719:56 683.92346:50 684.02594:52 684.33917:63 684.63727:60 0 0 0 0 252195 258434 251851 221193 219744 229732 173781 168264 164522 208285 197600 204429 0 238858.138020833 186146.71875 0 17266.2109044293 19472.4608217074 846 5.714 1367.94067 w/o MS2:PI 36:5_38:10 [M-H2O-H]- adduct linked to 864_[M+Hac-H]- 0.75 True 13.54 1367.94104 C83H133O13P PI WOPMIFLHCVASJJ-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)CCCCCCCCCCCCCCCCCCCC=CCC=CCC=CCC=CCC=CCC 530 True True False False False null null 100 99.7 null null null 268.51 YILU0371-neg-1 1367.94067:14781 1368.94402:18210 1369.94738:7179 279.23141:51 671.46216:94 695.46387:346 1367.6676:74 1367.73914:140 1367.8302:314 1367.93811:10412 1368.12073:74 1368.2572:96 1368.32776:54 1368.36768:56 1368.42505:61 0 0 0 0 93380 96199 91672 95714 90486 93939 87742 88455 85874 72947 71628 74407 0 93564.8190104167 80175.3606770833 0 2226.85321599041 7960.81262800651 847 8.595 1389.22461 Unknown [M-H]- ion correlated with 646; ion correlated with 849 0.562 False null null null null null null 999 False False False False False null null null null null null null 68.76 YILU0371-neg-1 1389.22461:3720 1390.22796:6635 1391.23132:3209 0 0 0 0 21556 22469 21095 22569 22886 21951 19133 18694 19727 17686 19052 17068 0 22087.6236979167 18560.0123697917 0 678.148034842276 994.049895158864 848 5.278 1389.92871 w/o MS2:PI 38:8_38:10 [M-H]- ion correlated with 844 0.75 False 13.4 1389.92554 C85H131O13P PI RCHMWOJLXIJCEK-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)CCCCCCCCCCCCC=CCC=CCC=CCC=CCC=CCC=CCC=CCC=CCC 530 True True False False False null null 95.1 99.7 null null null 79.82 YILU0370-neg-2 1389.92871:4481 1390.93206:4912 1391.93542:1589 0 0 0 0 28671 30646 29766 28795 30107 30672 27527 27486 28067 24605 24293 23372 0 29776.1943359375 25891.7044270833 0 878.123927452871 2025.34456396503 849 8.589 1390.22742 w/o MS2:SM 50:2;2O(FA 28:0) [M-H]- ion correlated with 646; ion correlated with 847 0.062 False 15.58 1390.23364 C83H163N2O7P ASM OWFXNFLVXYGRBY-UHFFFAOYSA-N O=C(OC(C=CCCCCCCC)C(NC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCC=CCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C)CCCCCCCCCCCCCCCCCCCCCCCCCCC 530 True True False False False null null 82.4 99.8 null null null 64.18 YILU0372-neg-2 1390.22742:3209 1391.23077:1995 1392.23413:610 0 0 0 0 21952 23026 21259 23403 24100 22481 19147 20175 17740 17928 17455 17841 0 22703.4518229167 18380.9280598958 0 1024.10376070281 1055.47153883142 850 5.66 1391.93689 w/o MS2:PI 38:7_38:10 [2M-H]- adduct linked to 353_[M-H]- 0.75 True 13.52 1391.94104 C85H133O13P PI JXWTVEWOEPQERB-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)CCCCCCCCCCCCCCCC=CCC=CCC=CCC=CCC=CCC=CCC=CCC 530 True True False False False null null 98.9 99.7 null null null 507.71 YILU0370-neg-2 1391.93689:28188 1392.94024:41738 1393.9436:17008 78.96011:319 152.99599:201 255.218:140 255.23239:525 303.2319:261 391.22504:2443 409.23541:700 439.19333:71 439.22549:464 457.23398:67 695.46692:26691 695.67273:80 695.88348:65 696.02142:51 696.07782:75 696.15833:104 696.35248:52 696.46979:648 775.42999:804 1391.93591:199 0 0 0 0 160907 166657 159346 164391 163262 157525 155987 155862 158300 127027 121238 127058 0 162014.770833333 140912.046875 0 3384.19054598436 17463.8429609262 851 5.778 1393.97717 Unknown [M-H]- ion correlated with 804 0.75 True null null null null null null 999 False False False False False null null null null null null null 1231.15 YILU0371-neg-3 1393.97668:62310 1394.98003:76414 1395.98339:33244 152.99667:213 255.23181:2220 391.22253:360 415.21884:59 417.24176:66 465.26065:138 483.27087:130 671.46295:935 695.46735:93 697.4491:65 721.30237:122 721.50287:53248 721.95001:98 722.01947:86 722.09369:104 722.17517:97 722.21222:55 722.31824:87 722.50494:893 722.65491:89 722.75812:61 722.80823:60 0 0 0 0 398998 409875 388236 416369 416281 411582 434755 421136 406866 394014 392862 380565 0 406890.145833333 405033.109375 0 11128.5612978861 20071.3283397918 852 8.765 1394.30994 Unknown [2M-H]- adduct linked to 356_[M-H]- 0.75 False null null null null null null 999 False False False False False null null null null null null null 99.24 YILU0370-neg-2 1394.30994:6798 1395.31329:11494 1396.31665:4778 0 0 0 0 39212 40650 37731 30046 30788 30657 20797 22593 20671 26882 25090 24638 0 34847.4007161458 23445.3505859375 0 4860.43084874118 2504.81470006437 853 8.207 1398.27002 Unknown [2M-H]- adduct linked to 447_[M+FA-H]- 0.688 False null null null null null null 999 False False False False False null null null null null null null 115.37 YILU0370-neg-1 1398.27002:7761 1399.27337:12609 1400.27673:5758 0 0 0 0 45174 44124 44522 41536 39865 36166 21094 18408 17263 26766 25112 26358 0 41897.7688802083 22500.0970052083 0 3455.15439986064 4148.72439393542 854 5.55 1411.00171 w/o MS2:Hex3Cer 58:5;2O [M-H2O-H]- ion correlated with 423; adduct linked to 870_[M+Hac-H]-; similar chromatogram in higher mz_906 0.312 False 13.32 1410.99744 C76H137NO18 Hex3Cer BLMOMJKJGBMNCW-UHFFFAOYSA-N O=C(NC(COC1OC(CO)C(OC2OC(CO)C(OC3OC(CO)C(O)C(O)C3O)C(O)C2O)C(O)C1O)C(O)C=CCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCCCCCCCCC=CCC=CCC=CCC=CCC 530 True True False False False null null 91.3 99.7 null null null 62.6 YILU0373-neg-3 1411.00171:3226 1412.00506:4563 1413.00842:1858 0 0 0 0 17407 18086 17770 17681 18615 17258 15004 15439 13588 17984 18579 19577 0 17803.1028645833 16695.3670247396 0 491.83293395449 2349.79348190313 855 5.383 1415.96387 Unknown [M-H]- 0.75 True null null null null null null 999 False False False False False null null null null null null null 1450.31 YILU0370-neg-1 1415.96301:71544 1416.96636:77767 1417.96972:36948 78.95879:88 124.83405:54 152.99588:490 255.23289:2288 279.23257:705 391.22766:61 413.21426:89 415.14856:59 415.22595:224 465.26059:103 483.27277:69 489.26138:175 507.21451:50 507.26862:201 598.24121:63 669.44867:1042 670.4552:64 719.46741:60 744.48151:82 744.95105:57 745.50421:81988 746.1886:86 746.26959:106 746.34387:92 746.38055:73 746.40576:94 746.50812:1700 746.66089:92 746.72754:95 746.86993:55 747.05048:63 747.07483:64 747.15692:62 747.27588:51 747.82434:53 748.52026:54 0 0 0 0 474359 484704 490739 489032 495874 493400 493620 493605 498539 460838 441855 457874 0 488018.09375 474388.536458333 0 7702.83467056832 23820.72528307 856 5.773 1417.97437 Unknown [M-H]- ion correlated with 711; ion correlated with 787 0.625 False null null null null null null 999 False False False False False null null null null null null null 74.92 YILU0373-neg-2 1417.97437:3947 1418.97772:3575 1419.98108:3096 0 0 0 0 22399 23815 25465 23247 26156 25767 26304 26734 26371 26349 24859 26245 0 24474.697265625 26143.7490234375 0 1531.52188260757 652.505910447928 857 8.957 1419.27368 Unknown [M-H]- ion correlated with 606 0.75 False null null null null null null 999 False False False False False null null null null null null null 98.47 YILU0370-neg-3 1419.27368:5645 1420.27703:10323 1421.28039:4359 0 0 0 0 32864 33315 32212 31879 33251 30721 27090 30913 25683 23810 22030 22258 0 32373.7373046875 25297.2939453125 0 989.825011393201 3377.08507020479 858 5.832 1419.99158 Unknown [M-H]- ion correlated with 358 0.75 True null null null null null null 999 False False False False False null null null null null null null 269.12 YILU0370-neg-2 1419.99133:14054 1420.99468:17103 1421.99804:7245 152.98892:60 185.54327:59 255.23026:336 281.24759:115 391.22208:139 417.24432:145 671.46564:293 721.46216:149 721.50189:1727 722.50476:170 723.50165:93 747.31274:55 747.35968:76 747.41992:126 747.51758:10789 747.87787:58 748.51929:307 0 0 0 0 90841 91439 94387 93524 97291 92863 96490 94574 91810 81934 75075 75993 0 93390.7565104167 85979.42578125 0 2315.7540039208 9522.02973976579 859 6.813 1436.04517 w/o MS2:CL 12:0_12:0_18:0_28:0 [M-H]- 0.75 True 13.98 1436.05896 C79H154O17P2 CL ACYVDPRSVFHZJZ-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCCCCCC)COP(=O)(O)OCC(O)COP(=O)(O)OCC(OC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCC)CCCCCCCCCCC 530 True True False False False null null 89.1 99.7 null null null 701.64 YILU0373-neg-1 1436.04517:40809 1437.04852:62005 1438.05188:44439 555.18787:274 905.50317:656 906.51031:69 907.52197:106 1435.70691:127 1435.81799:238 1436.04199:32857 1436.46851:67 0 0 0 0 201836 203379 201555 232178 236054 221872 205965 202964 204273 272757 253512 258853 0 216145.684895833 233053.919270833 0 15917.5557893286 32024.9640159485 860 5.645 1437.01917 w/o MS2:Hex3Cer 60:6;2O [M-H]- ion correlated with 496; ion correlated with 620; similar chromatogram in higher mz_866 0.75 False 13.38 1437.01306 C78H139NO18 Hex3Cer DJTXWQMMNYMHQI-UHFFFAOYSA-N O=C(NC(COC1OC(CO)C(OC2OC(CO)C(OC3OC(CO)C(O)C(O)C3O)C(O)C2O)C(O)C1O)C(O)C=CCCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCCCCCC=CCC=CCC=CCC=CCC=CCC 530 True True False False False null null 83 99.7 null null null 92.94 YILU0371-neg-1 1437.01917:5390 1438.02252:7357 1439.02588:2614 0 0 0 0 31125 30884 31089 35817 33939 34009 29162 27672 27642 33586 33163 33075 0 32810.5660807292 30716.6067708333 0 2062.28737318207 2860.72179213908 861 4.945 1437.94385 Unknown [M-H]- ion correlated with 260; similar chromatogram in higher mz_898 0.75 True null null null null null null 999 False False False False False null null null null null null null 163.73 YILU0370-neg-1 1437.94409:8450 1438.94744:12917 1439.9508:5414 152.99248:55 255.2318:256 277.21472:136 413.20749:53 487.24811:68 693.44537:117 743.33911:79 743.48523:6469 743.58752:50 743.69775:53 744.27655:53 744.42291:57 744.48462:239 0 0 0 0 52124 52714 48017 55871 54934 52298 50655 56138 52542 44195 34740 44043 0 52659.6998697917 47052.2721354167 0 2737.29330358342 7674.30284905797 862 5.388 1441.97729 Unknown [M-H]- ion correlated with 733 0.75 True null null null null null null 999 False False False False False null null null null null null null 421.77 YILU0370-neg-1 1441.97803:21660 1442.98138:28258 1443.98474:12065 78.96011:84 152.99644:107 255.2325:508 256.23499:54 279.23193:209 415.22031:80 417.23749:83 489.26373:52 507.25784:57 669.44751:265 695.42755:81 695.46228:277 745.37054:169 745.50189:22575 745.72437:83 745.83459:108 746.0188:71 746.10919:113 746.18121:61 746.35687:62 746.40387:54 746.50104:657 746.54608:61 746.61304:50 747.5:104 0 0 0 0 137683 140463 140303 139153 138999 142842 137854 136382 136740 123502 122629 123015 0 139907.2109375 130020.427083333 0 1756.08268936564 7657.34960771749 863 5.791 1444.01367 w/o MS2:CL 12:0_14:1_28:0_17:2 [2M-H]- adduct linked to 401_[M-H]- 0.75 True 13.72 1444.02759 C80H150O17P2 CL YLFGHKBMMCANGB-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCC)COP(=O)(O)OCC(O)COP(=O)(O)OCC(OC(=O)CCCCCCCCCCC)COC(=O)CCCCCCCC=CCCCC)CCCCCCCC=CCC=CCCCC 530 True True False False False null null 89 99.7 null null null 510.2 YILU0372-neg-1 1444.01367:30117 1445.01702:41106 1446.02038:19583 152.99663:125 255.18115:77 255.23235:1174 391.22293:216 465.26105:126 483.27527:68 721.31219:76 721.50323:38120 721.90851:62 721.97552:59 722.10492:58 722.16681:70 722.30414:51 722.44226:92 722.50513:703 722.84296:53 747.51782:69 771.39282:65 0 0 0 0 142999 141578 142864 151639 146167 145122 181670 160658 149009 152172 153470 137465 0 145061.440104167 155740.557291667 0 3625.2198407128 14789.8515680103 864 5.703 1445.98865 Unknown [M+Hac-H]- ion correlated with 902; adduct linked to 846_[M-H2O-H]- 0.125 False null null null null null null 999 False False False False False null null null null null null null 69.46 YILU0372-neg-1 1445.98865:3585 1446.992:4291 1447.99536:1878 0 0 0 0 23277 23733 19938 23899 22858 21902 25688 24219 22188 17496 16404 17973 0 22601.205078125 20661.2799479167 0 1487.79199859307 3889.00359892315 865 5.445 1463.96973 Unknown [M-H]- ion correlated with 357 0.688 False null null null null null null 999 False False False False False null null null null null null null 71.53 YILU0372-neg-1 1463.96973:3886 1464.97308:6405 1465.97644:3707 0 0 0 0 21043 21435 19439 23181 22084 19213 22661 22425 21542 20369 15577 20116 0 21065.8876953125 20448.2496744792 0 1531.23223855927 2601.8858245721 866 5.64 1469.99683 Unknown [M-H]- 0.75 True null null null null null null 999 False False False False False null null null null null null null 367.82 YILU0370-neg-1 1469.99561:18902 1470.99896:27466 1472.00232:12628 391.22177:123 409.23312:53 695.46576:20715 695.66766:87 695.87164:80 696.25555:59 696.42719:72 696.4657:509 1469.98938:703 0 0 0 0 120031 122351 113879 125685 127461 118434 126596 128836 128502 105885 99005 101694 0 121306.962239583 115086.322916667 0 4963.53824490191 14311.7366586327 867 5.837 1470.02759 w/o MS2:CL 15:1_18:3_16:0_24:0 [M-H]- ion correlated with 660; ion correlated with 721; ion correlated with 362; ion correlated with 903 0.75 True 13.68 1470.04321 C82H152O17P2 CL BKDBXEXGJJOQIM-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCCC=CCCCCC)COP(=O)(O)OCC(O)COP(=O)(O)OCC(OC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)CCCCCCCC=CCC=CCC=CCC 530 True True False False False null null 68.7 99.7 null null null 117.01 YILU0372-neg-2 1470.02759:6746 1471.03094:9896 1472.0343:4567 391.22372:122 695.26941:71 695.4649:10269 696.01508:69 696.46442:195 721.48273:83 1469.89978:58 1469.99194:491 0 0 0 0 35095 34918 35024 34510 34140 35886 38961 39128 33102 31329 28717 29611 0 34929.0045572917 33474.8095703125 0 591.754413490184 4568.64927248957 868 5.549 1482.1012 w/o MS2:RIKEN N-VS1 ID-9128 from Mouse_AdrenalGlands_fads2KO_N_Ctr [2M-H]- adduct linked to 432_[M-H]- 0.75 False 8.27 1482.09546 Unknown 530 True True False False False null null 84.8 100 null null null 183.74 YILU0373-neg-1 1482.1012:13285 1483.10455:19974 1484.10791:7919 0 0 0 0 43717 45162 42441 49635 50166 50680 37030 35295 34145 73554 71066 72029 0 46966.8157552083 53853.3815104167 0 3617.7702635598 20152.4948518102 869 4.966 1487.9823 CL 75:9|CL 35:1_40:8 [M-H]- ion correlated with 520 0.75 True 13.39 1487.99634 C84H146O17P2 CL JFNKLPPTBLFQII-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCCC=CCC=CCC=CCC)COP(=O)(O)OCC(O)COP(=O)(O)OCC(OC(=O)CCCCCCCCCCCCCCCC)COC(=O)CCCCCCCC=CCCCCCCCC)CCCCCC=CCC=CCC=CCC=CCC=CCC 410 True True True False False null null 91.3 99.6 96.7 11.1 100 1680.57 YILU0373-neg-1 1487.9845:76779 1488.98785:126136 1489.99121:68951 78.96019:98 152.99615:195 171.006:73 255.23199:1855 277.21625:873 413.20923:289 465.2612:53 487.24719:138 505.25589:101 741.46674:91 743.15271:53 743.22546:52 743.32837:344 743.48785:94183 744.27222:195 744.34296:84 744.40448:142 744.4895:2578 744.56476:77 744.63751:81 744.74896:66 744.79156:113 744.81885:64 744.92236:61 745.00946:60 745.05487:52 0 0 0 0 501532 507019 481682 509321 522013 500594 498227 504308 511843 439292 387528 456205 0 503693.604166667 466233.723958333 0 13244.7176747212 48113.0460755392 870 5.541 1489.05994 Unknown [M+Hac-H]- adduct linked to 854_[M-H2O-H]- 0.75 False null null null null null null 999 False False False False False null null null null null null null 220.51 YILU0373-neg-3 1489.05994:13871 1490.06329:19322 1491.06665:8347 0 0 0 0 56594 59519 54867 65644 65972 62535 59269 59793 67096 77740 71115 82536 0 60855.2545572917 69591.4921875 0 4642.17893455512 9434.58507704472 871 5.397 1492.01489 CL 75:7|CL 35:0_40:7 [M-H]- 0.75 True 13.5 1492.02759 C84H150O17P2 CL KJFAUXGJNDQDCB-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCCC=CCC=CCCCCC)COP(=O)(O)OCC(O)COP(=O)(O)OCC(OC(=O)CCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCC)CCCCCC=CCC=CCC=CCC=CCC=CCC 410 True True True False False null null 91.4 99.7 96.7 11 100 2107.13 YILU0373-neg-2 1492.01587:104175 1493.01922:145490 1494.02258:68188 152.99663:226 255.23245:2773 279.23251:974 357.40329:51 415.2218:349 465.26212:62 489.26562:158 507.27097:136 745.23322:73 745.29407:177 745.50403:117303 746.50531:3085 746.58795:88 746.65173:68 746.72491:95 746.76215:61 746.81396:95 746.90552:59 747.02136:51 747.06995:77 747.14874:56 747.19592:67 747.28125:69 747.44513:67 747.51007:70 0 0 0 0 653970 642181 634751 629859 643176 639504 654069 654115 644713 604000 623170 602808 0 640573.53125 630479.239583333 0 8229.99192756192 23824.5388163134 872 5.433 1495.01831 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 324.4 YILU0372-neg-3 1495.01831:16530 1496.02166:5024 1497.02502:1115 0 0 0 0 130371 127522 130102 126159 129965 129886 135379 135908 136040 121872 131264 119662 0 129000.99609375 130020.85546875 0 1736.01733232099 7414.53614486763 873 5.85 1496.03857 w/o MS2:RIKEN N-VS1 ID-9137 from Mouse_Kidney_fads2KO_N_Ctr [2M+Hac-H]- ion correlated with 787; ion correlated with 193; ion correlated with 196; adduct linked to 362_[M-H2O-H]- 0.688 False 8.46 1496.0448 Unknown 530 True True False False False null null 82.4 100 null null null 75.82 YILU0372-neg-1 1496.03857:4324 1497.04192:6516 1498.04528:2626 0 0 0 0 20546 20028 23559 20875 21713 22915 26263 24533 22290 20272 18973 19492 0 21605.9033203125 21970.4091796875 0 1391.76117542468 2936.18797267956 874 6.259 1500.03992 Unknown [M-H]- 0.75 True null null null null null null 999 False False False False False null null null null null null null 122.11 YILU0372-neg-1 1500.03992:7437 1501.04327:12501 1502.04663:5679 152.99422:50 255.23305:249 281.25021:52 391.22626:277 409.23868:108 417.23611:187 435.25482:69 671.4668:50 672.46997:61 673.32367:60 673.48077:7809 674.48535:159 0 0 0 0 35932 37138 34653 35211 40389 37649 44920 42688 41427 31669 28264 29419 0 36828.5123697917 36397.7360026042 0 2078.37901539273 7412.33331174506 875 5.962 1500.0509 Unknown [2M-H]- ion correlated with 769; adduct linked to 543_[M+CH3COO]- 0.75 False null null null null null null 999 False False False False False null null null null null null null 136.76 YILU0372-neg-2 1500.0509:7788 1501.05425:9314 1502.05761:4128 0 0 0 0 41906 44153 40629 46630 48576 45033 49480 53188 52260 44369 45198 45123 0 44488.0481770833 48269.771484375 0 2941.83130251676 3901.99337163565 876 6.464 1504.08105 Unknown [2M-H]- ion correlated with 879; adduct linked to 549_[M+CH3COO]- 0.75 False null null null null null null 999 False False False False False null null null null null null null 160.68 YILU0372-neg-2 1504.08105:9000 1505.0844:14404 1506.08776:6155 0 0 0 0 49708 48635 47905 50381 50549 50788 54698 55377 51888 43883 43191 45596 0 49661.0234375 49105.544921875 0 1158.89962416842 5530.34600168199 877 6.878 1508.10657 Unknown [2M-H]- ion correlated with 670; adduct linked to 555_[M+CH3COO]- 0.75 False null null null null null null 999 False False False False False null null null null null null null 85.21 YILU0372-neg-2 1508.10657:4877 1509.10992:8222 1510.11328:3639 0 0 0 0 25694 25109 25328 26065 26341 25174 28171 29900 29225 22203 22852 22952 0 25618.2473958333 25883.96484375 0 503.591445511246 3573.8608335196 878 5.596 1515.07483 Unknown [M-H]- 0.75 False null null null null null null 999 False False False False False null null null null null null null 127.68 YILU0373-neg-2 1515.07483:7840 1516.07818:11630 1517.08154:4474 0 0 0 0 32693 32926 34785 37983 37724 38399 37060 37679 32880 45719 47127 46323 0 35751.6904296875 41131.5625 0 2613.46438383673 6008.80013642527 879 6.488 1530.09534 Unknown [M-H]- ion correlated with 876; ion correlated with 663; similar chromatogram in higher mz_886 0.75 False null null null null null null 999 False False False False False null null null null null null null 149.55 YILU0372-neg-3 1530.09534:8570 1531.09869:10784 1532.10205:5657 0 0 0 0 44953 44217 45265 49344 50701 49675 52108 51552 55397 46414 40363 42810 0 47359.0852864583 48107.2356770833 0 2846.73430014339 5863.59339948344 880 4.76 1533.95691 Unknown [M-H]- 0.75 True null null null null null null 999 False False False False False null null null null null null null 201.42 YILU0370-neg-1 1533.95544:11060 1534.95879:12710 1535.96215:5982 815.49945:10701 815.86127:57 816.23853:65 816.5033:362 841.51569:54 0 0 0 0 77200 72614 78305 75322 72256 75953 80081 76494 72808 58059 61408 53671 0 75275.2721354167 67086.6888020833 0 2430.80292108346 10805.5371134182 881 5.445 1540.02625 w/o MS2:CL 15:0_20:3_22:3_22:5 [M-H]- ion correlated with 899; ion correlated with 909 0.75 False 13.41 1540.02759 C88H150O17P2 CL RPQZWDWVZFLGGX-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCCCC=CCC=CCC=CCCCCC)COP(=O)(O)OCC(O)COP(=O)(O)OCC(OC(=O)CCCCCCCCCCCCCC)COC(=O)CCCCCCCCCC=CCC=CCC=CCC)CCCCCC=CCC=CCC=CCC=CCC=CCC 530 True True False False False null null 99.1 99.7 null null null 98.89 YILU0372-neg-2 1540.02625:5663 1541.0296:10081 1542.03296:5487 0 0 0 0 26542 29410 24029 30263 29732 24506 29059 31076 26932 25355 21489 26433 0 27413.666015625 26723.9742838542 0 2762.13239108264 3280.45323541614 882 5.607 1548.05066 Unknown [2M-H]- ion correlated with 398; ion correlated with 496; adduct linked to 593_[M+CH3COO]- 0.75 False null null null null null null 999 False False False False False null null null null null null null 106.67 YILU0372-neg-2 1548.05066:6654 1549.05401:14679 1550.05737:6424 0 0 0 0 25637 25366 29134 29765 30805 29468 37549 39318 36416 31172 30388 29498 0 28362.3776041667 34056.8235677083 0 2287.08921553304 4195.62935702572 883 4.811 1549.96082 Unknown [M-H]- ion correlated with 904; similar chromatogram in higher mz_904 0.75 False null null null null null null 999 False False False False False null null null null null null null 73.71 YILU0372-neg-2 1549.96082:4305 1550.96417:6462 1551.96753:2518 0 0 0 0 20532 21259 20579 22882 22890 21680 25664 25754 24691 21103 19448 20279 0 21637.1002604167 22823.0950520833 0 1058.83040379398 2862.49761952068 884 5.952 1550.06665 Unknown [M-H]- 0.75 False null null null null null null 999 False False False False False null null null null null null null 211.39 YILU0372-neg-2 1550.06665:12232 1551.07:18568 1552.07336:8226 0 0 0 0 59548 60865 62254 67941 68002 67939 80585 81634 80221 67539 65325 68978 0 64424.9049479167 74047.0651041667 0 3966.81503388466 7517.44681694181 885 6.067 1552.08105 Unknown [2M-H]- adduct linked to 595_[M+CH3COO]- 0.75 True null null null null null null 999 False False False False False null null null null null null null 195.92 YILU0372-neg-3 1552.08081:11713 1553.08416:17601 1554.08752:8776 161.0414:51 235.08167:57 253.09261:291 277.21652:3633 278.22159:99 279.23254:4376 280.23969:83 513.30444:477 515.18835:51 515.32227:343 775.53583:149 0 0 0 0 58539 53719 56395 59337 61139 59209 84777 75696 77366 63231 53029 57888 0 58056.3619791667 68664.4479166667 0 2618.16516186762 12449.2034848931 886 6.498 1556.10999 Unknown [2M-H]- ion correlated with 512; ion correlated with 690; adduct linked to 600_[M+CH3COO]- 0.5 False null null null null null null 999 False False False False False null null null null null null null 66.26 YILU0372-neg-3 1556.10999:3655 1557.11334:4778 1558.1167:2237 0 0 0 0 23679 22300 20183 24089 23300 23717 25429 26897 25457 20672 20895 22509 0 22878.0016276042 23643.2278645833 0 1455.09519677297 2635.73358435681 887 4.714 1557.96582 Unknown [M-H]- 0.75 False null null null null null null 999 False False False False False null null null null null null null 79.27 YILU0371-neg-1 1557.96582:4502 1558.96917:5315 1559.97253:3365 0 0 0 0 19001 25611 30956 32258 26188 25500 28822 26591 25869 23283 23243 22925 0 26585.6943359375 25122.228515625 0 4713.8474620853 2372.45572943333 888 5.116 1561.99084 Unknown [M-H]- similar chromatogram in higher mz_896 0.75 True null null null null null null 999 False False False False False null null null null null null null 623.6 YILU0370-neg-2 1561.99036:32574 1562.99371:46162 1563.99707:23257 224.99883:89 817.27429:91 817.32581:92 817.51508:38008 817.86029:88 818.12604:89 818.19031:66 818.21509:53 818.40289:77 818.47345:199 818.51678:570 818.76892:55 819.06335:64 819.10815:56 0 0 0 0 207075 202000 205207 200639 193137 200918 194926 200894 193442 175293 180999 173391 0 201495.927083333 186490.7421875 0 4818.64862601769 11437.5536409806 889 5.387 1575.07251 Unknown [M-H]- 0.438 False null null null null null null 999 False False False False False null null null null null null null 74.18 YILU0373-neg-1 1575.07251:4487 1576.07586:5848 1577.07922:3061 0 0 0 0 16869 17370 15654 17998 18786 16901 19255 18509 19804 26332 26311 25666 0 17263.0597330729 22646.1725260417 0 1071.89335578285 3816.35778049794 890 7.732 1589.15222 Unknown [M-H]- ion correlated with 826; ion correlated with 632 0.75 True null null null null null null 999 False False False False False null null null null null null null 182.73 YILU0370-neg-3 1589.1521:9878 1590.15545:21210 1591.15881:14620 696.61279:304 1266.82483:61 1588.93042:70 1588.99194:146 1589.15051:5282 1589.39209:64 0 0 0 0 59900 59091 60746 65237 62976 60724 55898 52279 48402 50777 50802 49787 0 61445.4967447917 51324.171875 0 2265.23888626822 2581.03235051581 891 5.955 1600.08289 Unknown [2M-H]- ion correlated with 815; ion correlated with 507; adduct linked to 637_[M+CH3COO]- 0.312 False null null null null null null 999 False False False False False null null null null null null null 69.84 YILU0372-neg-2 1600.08289:3815 1601.08624:6246 1602.0896:2844 0 0 0 0 16738 17525 16831 18454 19717 19539 24362 25276 24755 19057 20391 21487 0 18133.9248046875 22554.7565104167 0 1311.33372729685 2591.16771214679 892 7.956 1604.16895 Unknown [M-H]- ion correlated with 900; ion correlated with 417 0.5 False null null null null null null 999 False False False False False null null null null null null null 66.49 YILU0371-neg-2 1604.16895:3716 1605.1723:4535 1606.17566:2235 0 0 0 0 19026 18304 19519 22786 23232 20489 19432 19366 17523 17741 20576 17061 0 20559.2259114583 18616.5729166667 0 2031.01661056408 1374.95083050717 893 6.803 1616.06104 Unknown [2M+Hac-H]- ion correlated with 253; adduct linked to 599_[M+CH3COO]- 0.75 True null null null null null null 999 False False False False False null null null null null null null 120.13 YILU0371-neg-1 1616.06226:6073 1617.06561:10138 1618.06897:6169 741.57715:64 747.73444:62 1615.78198:58 1615.88843:89 1616.06055:3317 1616.2395:50 0 0 0 0 41186 41845 42490 48031 46772 46425 40320 40125 40299 63879 57064 62549 0 44458.0768229167 50705.9524739583 0 2945.90482638772 11681.9807402312 894 4.694 1632.00647 Unknown [2M-H]- adduct linked to 559_[M-H]- 0.75 True null null null null null null 999 False False False False False null null null null null null null 540.23 YILU0370-neg-1 1632.00671:27747 1633.01006:41062 1634.01342:24081 80.96547:67 815.27557:96 815.32727:94 815.49884:29888 815.87067:57 815.99066:76 816.11279:79 816.39801:60 816.49908:581 0 0 0 0 167602 173427 167920 172361 169369 170444 176779 166592 169863 147307 152016 155049 0 170187.1015625 161267.734375 0 2357.15796118535 11506.4066257545 895 5.358 1632.04675 Unknown [M-H]- ion correlated with 844; ion correlated with 899 0.75 False null null null null null null 999 False False False False False null null null null null null null 110.35 YILU0370-neg-3 1632.04675:6091 1633.0501:7485 1634.05346:3570 0 0 0 0 39087 38686 42144 38834 40097 38672 40484 37933 40091 33768 34495 31550 0 39586.5559895833 36387.1129557292 0 1361.03588376507 3653.16734488472 896 5.103 1636.0376 Unknown [2M-H]- adduct linked to 564_[M-H]- 0.75 True null null null null null null 999 False False False False False null null null null null null null 213.4 YILU0370-neg-1 1636.03784:11456 1637.04119:20376 1638.04455:11804 736.26453:61 817.27533:67 817.33508:54 817.38611:118 817.51404:14683 817.64337:89 817.71796:99 817.8183:63 817.90247:56 817.93646:89 818.21045:57 818.41547:79 818.51031:354 0 0 0 0 67640 65668 67361 67392 62813 67195 56558 60432 62175 57512 63344 55165 0 66344.8658854167 59197.6998697917 0 1868.96707855126 3275.5509295255 897 5.898 1636.09827 w/o MS2:Ac4PIM2 14:0_14:0_20:0_18:1 [M-H]- 0.062 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 99.5 99.7 null null null 60.76 YILU0370-neg-2 1636.09827:3038 1637.10162:6208 1638.10498:2825 0 0 0 0 16101 16796 15215 18314 16281 15584 16580 15858 15072 13040 15300 12962 0 16381.83203125 14802.0346679688 0 1094.60489525118 1489.30011660698 898 4.942 1654.05188 w/o MS2:Ac4PIM2 14:0_18:2_18:2_18:2 [M-H]- ion correlated with 650; ion correlated with 728; ion correlated with 260 0.75 True 13.2 1654.05225 C89H155O25P Ac4PIM2 SSPSCRLYROHJPK-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)CCCCCCCC=CCC=CCCCCC 530 True True False False False null null 99.8 99.7 null null null 131.78 YILU0371-neg-1 1654.05432:7171 1655.05767:13111 1656.06103:5131 255.23444:84 505.2644:72 693.44745:160 743.40784:119 743.48712:5393 743.96375:54 744.31177:55 744.49017:97 0 0 0 0 39392 41345 37115 41766 42244 38772 35892 40019 37647 38541 28568 37413 0 40105.7584635417 36346.4020182292 0 2004.74454998077 4045.72269770131 899 5.391 1658.07959 w/o MS2:Ac4PIM2 14:0_18:0_18:2_18:2 [M-H]- ion correlated with 844; ion correlated with 895; ion correlated with 881 0.75 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 92.7 99.7 null null null 108.7 YILU0370-neg-2 1658.07959:6254 1659.08294:8870 1660.0863:4072 0 0 0 0 36472 38852 34026 37198 32462 35847 32587 33174 33210 32611 26606 29311 0 35809.5999348958 31249.833984375 0 2280.9038557744 2702.31577116675 900 7.912 1658.15259 Unknown [M-H]- ion correlated with 812; ion correlated with 415; ion correlated with 892 0.375 False null null null null null null 999 False False False False False null null null null null null null 65.81 YILU0371-neg-1 1658.15259:3487 1659.15594:8427 1660.1593:5816 0 0 0 0 16207 15488 16283 20616 20406 19589 18639 20083 19633 15153 14247 15171 0 18098.310546875 17154.2641601563 0 2348.41988378658 2581.15585383858 901 6.862 1660.06348 Unknown [M-H]- ion correlated with 723 0.75 True null null null null null null 999 False False False False False null null null null null null null 341.84 YILU0370-neg-2 1660.0647:17212 1661.06805:37667 1662.07141:25538 1659.73071:78 1659.85327:101 1660.06421:10311 1660.26721:84 1660.3811:61 1660.41711:64 1660.51782:54 0 0 0 0 110343 108736 109292 109988 109732 110839 121326 115692 120316 87415 94556 88914 0 109821.729166667 104703.131510417 0 748.442533935098 16074.6214505574 902 5.654 1660.07886 Unknown [M-H]- ion correlated with 864 0.438 False null null null null null null 999 False False False False False null null null null null null null 68.47 YILU0372-neg-1 1660.07886:3555 1661.08221:5382 1662.08557:2564 0 0 0 0 25863 25912 24546 24969 26986 24965 23482 26424 24365 21617 21521 21639 0 25540.2877604167 23174.6692708333 0 891.897391437049 1979.19781972441 903 5.895 1662.11475 w/o MS2:Ac4PIM2 14:0_16:0_20:0_18:2 [M-H]- ion correlated with 867; ion correlated with 362 0.75 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 122.19 YILU0370-neg-3 1662.11475:6952 1663.1181:13875 1664.12146:7450 0 0 0 0 38951 39187 39797 36946 35312 35984 34326 32487 32265 31170 33218 30754 0 37696.0358072917 32370.1070963542 0 1865.09389405931 1312.88344580217 904 4.807 1664.01404 Unknown [2M-H]- ion correlated with 883; adduct linked to 590_[M-H]- 0.375 False null null null null null null 999 False False False False False null null null null null null null 71.03 YILU0372-neg-2 1664.01404:4024 1665.01739:7721 1666.02075:3089 0 0 0 0 16382 16985 16647 18250 17371 17471 23404 22630 22555 16519 16215 16452 0 17184.4588216146 19629.2592773438 0 667.18008847451 3556.48658493795 905 5.797 1676.03699 Unknown [M-H]- ion correlated with 787; ion correlated with 652 0.375 False null null null null null null 999 False False False False False null null null null null null null 67.82 YILU0372-neg-1 1676.03699:3640 1677.04034:6195 1678.0437:5264 0 0 0 0 23736 22765 25074 22979 22975 22278 30350 29150 27766 30285 27800 28607 0 23301.1002604167 28993.1080729167 0 987.468493021207 1150.16793886151 906 5.541 1679.14319 Unknown [M-H]- 0.75 False null null null null null null 999 False False False False False null null null null null null null 160.56 YILU0373-neg-3 1679.14319:9422 1680.14654:16671 1681.1499:6655 0 0 0 0 45557 46219 42219 49771 51365 47847 39270 42503 43474 55446 51524 57549 0 47163.1373697917 48294.3489583333 0 3250.85173393139 7555.66879659025 907 5.02 1680.07104 w/o MS2:Ac4PIM2 16:1_18:2_18:2_18:2 [M-H]- 0.75 True 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 99.9 99.7 null null null 347.52 YILU0370-neg-1 1680.06909:19107 1681.07244:30042 1682.0758:25211 152.99661:69 255.23116:148 277.21582:182 413.21158:51 743.2735:80 743.48724:23455 743.88562:76 743.98175:74 744.09552:57 744.13226:58 744.30072:52 744.39655:78 744.48956:751 744.57025:61 744.62811:79 744.65845:73 1608.64392:56 0 0 0 0 116871 112006 120961 107293 102942 109557 103274 99434 93110 91609 114779 89058 0 111604.986979167 98544.1484375 0 6530.90858140531 9532.7360271068 908 6.781 1684.06335 Unknown [M-H]- 0.75 True null null null null null null 999 False False False False False null null null null null null null 115.91 YILU0370-neg-1 1684.06128:5813 1685.06463:11353 1686.06799:7478 905.49908:155 1683.84302:67 1683.9375:114 1684.06067:2580 0 0 0 0 37153 38794 36693 36472 39250 37585 41943 41349 42250 33405 31373 33367 0 37657.7239583333 37280.9853515625 0 1133.62060580661 5064.11221203702 909 5.503 1686.10229 Unknown [M-H]- ion correlated with 881 0.75 False null null null null null null 999 False False False False False null null null null null null null 92.7 YILU0372-neg-3 1686.10229:5225 1687.10564:6459 1688.109:3247 0 0 0 0 29715 30669 30266 29005 30292 31074 30703 31025 34013 28767 25812 27287 0 30170.341796875 29601.2418619792 0 728.604247659202 2936.38385201257