#METABOLOMICS WORKBENCH araskind_20170605_133131 DATATRACK_ID:955 STUDY_ID:ST000673 ANALYSIS_ID:AN001032 PROJECT_ID:PR000475 VERSION 1 CREATED_ON June 30, 2017, 9:57 am #PROJECT PR:PROJECT_TITLE Lipidomics in Suddent infant death syndrome PR:PROJECT_TYPE MS analysis PR:PROJECT_SUMMARY Lipid analysis of serum in controls and SIDS infants PR:INSTITUTE Childrens Hospital Boston PR:DEPARTMENT Pathology PR:LABORATORY Kinney Lab PR:LAST_NAME Haynes PR:FIRST_NAME Robin PR:ADDRESS Boston, MA PR:EMAIL robin.haynes@childrens.harvard.edu PR:PHONE 617-763-5782 #STUDY ST:STUDY_TITLE Lipidomics in (SIDS) Sudden Infant Death Syndrome ST:STUDY_TYPE MS analysis ST:STUDY_SUMMARY Serum samples were collected postmortem from infants dying of Sudden Infant ST:STUDY_SUMMARY Death Syndrome. ST:INSTITUTE University of Michigan ST:DEPARTMENT Biomedical Research Core Facilities ST:LABORATORY Metabolomics core ST:LAST_NAME Kachman ST:FIRST_NAME Maureen ST:ADDRESS 6300 Brehm Tower, 1000 Wall Street, Ann Arbor, MI 48105-5714 ST:EMAIL mkachman@med.umich.edu ST:PHONE (734) 232-8175 ST:NUM_GROUPS 101 ST:TOTAL_SUBJECTS 33 #SUBJECT SU:SUBJECT_TYPE Human SU:SUBJECT_SPECIES Homo sapiens SU:TAXONOMY_ID 9606 #SUBJECT_SAMPLE_FACTORS: SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Additional sample data SUBJECT_SAMPLE_FACTORS SU0014703 S00022405 Diagnosis:SIDS Gestational age (weeks)=40.0; Postconceptional age (weeks)=60.0; Postmortem interval (hours)=20.0; Postnatal age (weeks)=20.0 SUBJECT_SAMPLE_FACTORS SU0014704 S00022406 Diagnosis:SIDS Gestational age (weeks)=40.0; Postconceptional age (weeks)=52.0; Postmortem interval (hours)=5.5; Postnatal age (weeks)=12.0 SUBJECT_SAMPLE_FACTORS SU0014705 S00022407 Diagnosis:SIDS Gestational age (weeks)=40.0; Postconceptional age (weeks)=53.0; Postmortem interval (hours)=17.25; Postnatal age (weeks)=13.0 SUBJECT_SAMPLE_FACTORS SU0014706 S00022408 Diagnosis:SIDS Gestational age (weeks)=40.0; Postconceptional age (weeks)=64.0; Postmortem interval (hours)=23.0; Postnatal age (weeks)=24.0 SUBJECT_SAMPLE_FACTORS SU0014707 S00022409 Diagnosis:SIDS Gestational age (weeks)=39.0; Postconceptional age (weeks)=48.0; Postmortem interval (hours)=25.33; Postnatal age (weeks)=9.0 SUBJECT_SAMPLE_FACTORS SU0014708 S00022410 Diagnosis:SIDS Gestational age (weeks)=40.0; Postconceptional age (weeks)=52.1; Postmortem interval (hours)=21.0; Postnatal age (weeks)=12.1 SUBJECT_SAMPLE_FACTORS SU0014709 S00022411 Diagnosis:SIDS Gestational age (weeks)=40.0; Postconceptional age (weeks)=48.1; Postmortem interval (hours)=7.0; Postnatal age (weeks)=8.1 SUBJECT_SAMPLE_FACTORS SU0014710 S00022412 Diagnosis:Control Gestational age (weeks)=40.0; Postconceptional age (weeks)=50.7; Postmortem interval (hours)=11.5; Postnatal age (weeks)=10.7 SUBJECT_SAMPLE_FACTORS SU0014711 S00022413 Diagnosis:SIDS Gestational age (weeks)=40.0; Postconceptional age (weeks)=57.8; Postmortem interval (hours)=9.0; Postnatal age (weeks)=17.8 SUBJECT_SAMPLE_FACTORS SU0014712 S00022414 Diagnosis:SIDS Gestational age (weeks)=40.0; Postconceptional age (weeks)=52.6; Postmortem interval (hours)=9.7; Postnatal age (weeks)=12.6 SUBJECT_SAMPLE_FACTORS SU0014713 S00022415 Diagnosis:SIDS Gestational age (weeks)=39.0; Postconceptional age (weeks)=59.6; Postmortem interval (hours)=9.6; Postnatal age (weeks)=20.6 SUBJECT_SAMPLE_FACTORS SU0014714 S00022416 Diagnosis:SIDS Gestational age (weeks)=35.9; Postconceptional age (weeks)=45.0; Postmortem interval (hours)=24.9; Postnatal age (weeks)=9.1 SUBJECT_SAMPLE_FACTORS SU0014715 S00022417 Diagnosis:Control Gestational age (weeks)=40.0; Postconceptional age (weeks)=62.7; Postmortem interval (hours)=20.3; Postnatal age (weeks)=22.7 SUBJECT_SAMPLE_FACTORS SU0014716 S00022418 Diagnosis:SIDS Gestational age (weeks)=40.0; Postconceptional age (weeks)=91.0; Postmortem interval (hours)=21.1; Postnatal age (weeks)=51.0 SUBJECT_SAMPLE_FACTORS SU0014717 S00022419 Diagnosis:SIDS Gestational age (weeks)=39.0; Postconceptional age (weeks)=54.9; Postmortem interval (hours)=15.6; Postnatal age (weeks)=15.9 SUBJECT_SAMPLE_FACTORS SU0014718 S00022420 Diagnosis:Control Gestational age (weeks)=40.0; Postconceptional age (weeks)=43.6; Postmortem interval (hours)=15.8; Postnatal age (weeks)=3.6 SUBJECT_SAMPLE_FACTORS SU0014719 S00022421 Diagnosis:SIDS Gestational age (weeks)=39.0; Postconceptional age (weeks)=66.0; Postmortem interval (hours)=21.2; Postnatal age (weeks)=27.0 SUBJECT_SAMPLE_FACTORS SU0014720 S00022422 Diagnosis:Control Gestational age (weeks)=31.0; Postconceptional age (weeks)=42.9; Postmortem interval (hours)=26.2; Postnatal age (weeks)=11.9 SUBJECT_SAMPLE_FACTORS SU0014721 S00022423 Diagnosis:SIDS Gestational age (weeks)=40.0; Postconceptional age (weeks)=51.0; Postmortem interval (hours)=23.0; Postnatal age (weeks)=11.0 SUBJECT_SAMPLE_FACTORS SU0014722 S00022424 Diagnosis:SIDS Gestational age (weeks)=40.0; Postconceptional age (weeks)=56.1; Postmortem interval (hours)=21.5; Postnatal age (weeks)=16.1 SUBJECT_SAMPLE_FACTORS SU0014723 S00022425 Diagnosis:SIDS Gestational age (weeks)=37.0; Postconceptional age (weeks)=51.6; Postmortem interval (hours)=24.0; Postnatal age (weeks)=14.6 SUBJECT_SAMPLE_FACTORS SU0014724 S00022426 Diagnosis:Control Gestational age (weeks)=35.0; Postconceptional age (weeks)=37.0; Postmortem interval (hours)=17.7; Postnatal age (weeks)=2.0 SUBJECT_SAMPLE_FACTORS SU0014725 S00022427 Diagnosis:Control Gestational age (weeks)=36.0; Postconceptional age (weeks)=36.3; Postmortem interval (hours)=8.5; Postnatal age (weeks)=0.3 SUBJECT_SAMPLE_FACTORS SU0014726 S00022428 Diagnosis:Control Gestational age (weeks)=40.0; Postconceptional age (weeks)=51.3; Postmortem interval (hours)=25.4; Postnatal age (weeks)=11.3 SUBJECT_SAMPLE_FACTORS SU0014727 S00022429 Diagnosis:SIDS Gestational age (weeks)=37.0; Postconceptional age (weeks)=42.6; Postmortem interval (hours)=23.4; Postnatal age (weeks)=5.6 SUBJECT_SAMPLE_FACTORS SU0014728 S00022430 Diagnosis:SIDS Gestational age (weeks)=40.7; Postconceptional age (weeks)=56.7; Postmortem interval (hours)=21.3; Postnatal age (weeks)=16.0 SUBJECT_SAMPLE_FACTORS SU0014729 S00022431 Diagnosis:SIDS Gestational age (weeks)=39.0; Postconceptional age (weeks)=42.1; Postmortem interval (hours)=22.0; Postnatal age (weeks)=3.1 SUBJECT_SAMPLE_FACTORS SU0014730 S00022432 Diagnosis:Control Gestational age (weeks)=40.0; Postconceptional age (weeks)=41.3; Postmortem interval (hours)=2.0; Postnatal age (weeks)=1.3 SUBJECT_SAMPLE_FACTORS SU0014731 S00022433 Diagnosis:SIDS Gestational age (weeks)=38.5; Postconceptional age (weeks)=64.6; Postmortem interval (hours)=28.1; Postnatal age (weeks)=26.1 SUBJECT_SAMPLE_FACTORS SU0014732 S00022434 Diagnosis:Control Gestational age (weeks)=41.0; Postconceptional age (weeks)=41.0; Postmortem interval (hours)=12.0; Postnatal age (weeks)=0.0 SUBJECT_SAMPLE_FACTORS SU0014733 S00022435 Diagnosis:SIDS Gestational age (weeks)=40.7; Postconceptional age (weeks)=58.2; Postmortem interval (hours)=20.0; Postnatal age (weeks)=17.5 SUBJECT_SAMPLE_FACTORS SU0014734 S00022436 Diagnosis:Control Gestational age (weeks)=34.7; Postconceptional age (weeks)=40.7; Postmortem interval (hours)=24.0; Postnatal age (weeks)=6.0 SUBJECT_SAMPLE_FACTORS SU0014735 S00022437 Diagnosis:SIDS Gestational age (weeks)=37.9; Postconceptional age (weeks)=47.4; Postmortem interval (hours)=26.7; Postnatal age (weeks)=9.5 #COLLECTION CO:COLLECTION_SUMMARY - #TREATMENT TR:TREATMENT_SUMMARY - #SAMPLEPREP SP:SAMPLEPREP_SUMMARY - SP:SAMPLEPREP_PROTOCOL_FILENAME A004 - Shotgun Lipidomics.pdf #CHROMATOGRAPHY CH:CHROMATOGRAPHY_TYPE Reversed phase MS:INSTRUMENT_NAME ABI Sciex 5600+ TripleTOF CH:COLUMN_NAME Waters Acquity HSS T3 (50 x 2.1mm, 1.8um) #ANALYSIS AN:ANALYSIS_TYPE MS AN:ANALYSIS_PROTOCOL_FILE A004 - Shotgun Lipidomics.pdf #MS MS:MS_COMMENTS - MS:INSTRUMENT_NAME ABI Sciex 5600+ TripleTOF MS:INSTRUMENT_TYPE Triple TOF MS:MS_TYPE ESI MS:ION_MODE NEGATIVE #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS peak area normalized MS_METABOLITE_DATA_START Samples S00022405 S00022406 S00022407 S00022408 S00022409 S00022410 S00022411 S00022412 S00022413 S00022414 S00022415 S00022416 S00022417 S00022418 S00022419 S00022420 S00022421 S00022422 S00022423 S00022424 S00022425 S00022426 S00022427 S00022428 S00022429 S00022430 S00022431 S00022432 S00022433 S00022434 S00022435 S00022436 S00022437 Factors Diagnosis:SIDS Diagnosis:SIDS Diagnosis:SIDS Diagnosis:SIDS Diagnosis:SIDS Diagnosis:SIDS Diagnosis:SIDS Diagnosis:Control Diagnosis:SIDS Diagnosis:SIDS Diagnosis:SIDS Diagnosis:SIDS Diagnosis:Control Diagnosis:SIDS Diagnosis:SIDS Diagnosis:Control Diagnosis:SIDS Diagnosis:Control Diagnosis:SIDS Diagnosis:SIDS Diagnosis:SIDS Diagnosis:Control Diagnosis:Control Diagnosis:Control Diagnosis:SIDS Diagnosis:SIDS Diagnosis:SIDS Diagnosis:Control Diagnosis:SIDS Diagnosis:Control Diagnosis:SIDS Diagnosis:Control Diagnosis:SIDS CL 70:5; [M-2H](2-)@5.92 35243.54967 54815.32099 52872.66165 116172.892 55672.50428 30247.11695 30029.25758 40592.96671 45078.83505 40434.66781 17940.37252 103278.5474 35281.01174 169474.6267 113146.5022 22065.32672 98003.29715 174084.3527 62163.89553 90224.18421 67365.77891 39804.9989 21770.7086 11039.50652 53672.40684 62039.53471 86608.5214 42240.77827 339116.5884 4974.342722 76463.56309 83320.63819 65667.19863 CL 72:3; [M-2H](2-)@7.51 2445.940975 3681.630935 1851.899324 2237.314567 2280.246762 2832.991309 2909.599509 1800.571047 3274.773094 4133.811188 2548.658465 839.5970306 2765.174887 6059.596097 3198.566351 1271.159135 3352.369624 1604.94932 1821.472093 4694.357525 2429.786108 3406.81007 592.7570168 1510.733261 2298.475121 5627.710502 6158.425417 4777.225195 7218.152988 10073.38394 10393.53605 2678.482647 1910.371613 CL 74:1; [M-2H](2-)@7.51 427807.2197 484648.6433 117424.9581 160015.5636 155972.7308 182991.0325 174908.7106 184301.5556 186099.3838 202200.289 144524.7633 441467.4088 197924.2315 171679.838 335365.295 144547.0683 262804.2336 499947.9285 304696.6591 158885.7483 356224.3173 114999.7615 71484.31577 53315.65856 221291.8613 464928.5792 487620.4764 346682.7293 1334287.54 46752.78927 143483.6188 588477.8243 258408.9995 CL 74:7; [M-2H](2-)@6.12 432107.3072 816591.36 635619.6819 1090784.318 1015753.6 402346.0845 371565.0781 637213.8214 585264.7455 637155.6591 379431.8835 1318315.555 481992.8424 1625796.766 1052400.43 474050.6725 1191257.897 1489849.906 555566.5998 871768.2111 1397050.735 808314.5645 336527.1986 137370.9915 1111193.487 703700.1824 1225603.952 1230700.83 4643768.502 180794.722 910542.2085 1210429.658 635615.9311 CL 78:1; [M-2H](2-)@7.97 17829.15399 17772.81789 4456.882134 20291.73039 8537.362306 5319.081721 9668.991484 28801.23543 35984.66475 12071.74155 3743.19736 19582.16767 17500.52432 13386.93694 15969.15442 8978.404391 5493.268952 26301.10861 10827.57793 7597.821629 12270.6618 16068.95205 1757.779039 3580.20573 3995.132927 25979.04545 27180.17656 30854.72128 15284.06612 1251.5581 29937.43619 30053.97839 18471.24734 CL 78:9; [M-2H](2-)@6.71 555224.5062 422060.6764 472237.3849 740083.958 552301.9095 273347.1029 381814.9633 394629.6588 455684.2564 540598.08 172553.9992 731312.612 393720.6531 1049562.792 590458.9718 376349.8583 516451.5436 1095301.544 575041.8797 520267.3558 749078.7632 524031.1106 262792.3374 55790.64711 776090.3463 487409.0997 964664.4524 821732.3223 3698725.985 122287.5314 808477.5175 749463.5455 516653.0352 CerP 34:1; [M-H]-@5.97 10742.38046 6581.498172 13770.84653 9190.264699 16845.10502 6422.41314 13760.98903 10325.87903 8314.479149 12424.04633 8976.639289 7649.900365 9288.136028 8419.472654 20517.86963 6861.075886 10276.76828 5125.425721 16870.82798 12038.68619 12934.39717 17000.99391 6484.090407 8867.550825 5091.493239 20978.77347 14958.07305 11428.04164 30612.93833 5297.94142 20599.12818 7611.515298 10719.05599 FFA(16:0) 83835114.7 69542897.35 54449114.69 70077161.3 72625245.9 66747235.43 49238926.17 56578768.37 70791293.16 69137938.31 43809705.36 70485013.49 70246994.34 72398429.26 63508911.88 59156191.64 81465840.59 78989758.97 64973117.63 63274404.32 77406383.54 70700126.96 80223402.53 45462826.91 50268126.39 74190962.79 83114069.07 72326363.43 176744402.9 50938347.92 77091663.27 83376653.59 72603281.76 FFA(18:0) 71234152.98 60528709.22 44232081.65 56611700.77 65562045.28 60082035.92 50284069.04 55187634.2 50352255.38 65133237.11 45447056.2 58330565.11 60689927.05 63084418.52 52583755.57 50985648 71951863.65 80258663.17 59260258.73 54738937.29 61606239.66 52737625.67 68628430.88 46422684.62 44176230.32 59477998.73 63980273.25 54159969.95 152954885.6 47549251.3 64412543.32 70490616.74 61507243.2 FFA(18:1) 111997178.2 39105304.9 26197109.74 46136636.43 41398984.45 37553085.13 35468421.52 29955044.8 63564440.22 51600697.78 17633860.01 59733705.46 54967648.04 41497058.54 36988277.13 27607423.67 45522488.18 60120668.77 37472576.38 45274720.63 56413905.08 44166519.54 41123688.19 14190705.35 24183360.53 65161664.68 72557253.8 50035385.42 125224761.3 13477623.2 45805653.35 78063984.2 59743237.57 FFA(18:2) 95182048.93 43403588.72 26266558.38 58995725.07 41559601.39 35078378.06 37574719.12 28186121.51 57746513.23 45241651.77 14651863.11 60647515.7 46089739.03 50711903.68 41357058.83 30903245.41 47573500.02 60620048.97 50047620.02 53121769 52258420.22 48136534.61 30354715.65 9880479.277 29861011.97 64631669.21 65981878.79 39284024.58 152800710.3 6262732.242 57523203.34 74627189.99 63751146.2 FFA(20:0) 1911496.685 1520168.164 1036847.174 1022643.515 1583795.682 1548280.218 1158311.804 1427827.994 1468730.805 1355478.274 1008367.141 1368450.556 1317817.879 1211509.145 1104583.106 989989.7248 1586206.796 1899474.16 1341660.753 1169671.076 1515620.799 1159762.29 1365343.24 973538.4784 975272.8583 1380125.288 1475255.885 1275548.891 3145636.221 1051518.903 1383573.083 1698444.389 1352700.26 FFA(20:1) 2276119.911 973885.5688 436696.5254 764273.7282 683392.4909 568719.0643 791850.7449 577557.521 1277733.489 861505.0912 391967.5374 1087126.555 1062534.47 684308.953 519716.3289 403547.8886 553025.038 820357.5072 589838.202 578315.6076 848094.8227 566168.8302 360208.285 277134.2845 342865.1387 1514346.398 1580564.817 769795.256 1636727.73 195016.5319 576357.7653 1344659.841 1172429.394 FFA(20:2) 2248800.733 1122624.381 613508.05 1304162.435 1060234.054 1046959.91 1296045.383 843894.8333 1598222.566 1340899.627 641265.8968 2251243.533 1623399.061 945127.4643 846048.4841 1045655.002 807336.773 1600853.194 1378262.313 1243025.661 969298.5458 2105494.213 630017.2054 312451.1482 690040.4076 3250950.999 2606957.278 2259858.599 2465014.304 258280.1827 1125086.998 2512733.25 3111044.164 FFA(20:4) Arachidonic acid 37468747.24 17805799.47 14463097.44 29916094.9 27208822.68 16509733.33 22379503.62 17829953.06 45767865.46 24077761.38 22114701.36 32848616.4 39342304.95 35367553.36 27381558.52 16019307.24 18458047.8 16696022.61 19482714.33 36493714.51 29569734.74 38277824.38 18883139.12 3587460.41 18476758.4 31439893.2 65177842.22 27109066.82 55901088.63 14310189.85 38243437.96 42313384.62 38546475.58 FFA(22:0) 685790.0204 545887.3031 254852.732 344227.9457 444619.7407 471672.1688 344583.71 351567.5294 525180.3828 377018.5614 280296.0826 497918.3478 413909.3599 416709.4803 325966.3513 270328.8385 467809.1676 598074.9412 418817.4906 286057.76 492678.4737 338165.3627 316562.2468 246788.5338 256305.51 418471.2775 539437.2385 378923.0618 940800.6664 246805.1811 440392.8344 729742.3405 396914.7951 FFA(22:1) 296621.1267 184804.3504 106547.1831 109777.5196 127351.265 153362.921 174595.1583 119649.2802 235389.7618 150634.8707 119249.5112 229519.8634 235581.3634 148908.5931 96696.14241 82770.24222 88377.3219 110992.7787 100971.2699 115739.8678 229758.2343 158528.3009 90264.11911 77171.48551 108185.5848 220440.3999 347185.6341 119114.395 390343.5549 43255.78774 107633.958 266503.7854 244488.1049 FFA(22:2) 149092.927 119804.7749 35999.43414 82930.00093 66410.02914 59022.75877 88568.3088 58489.62718 143194.0264 85015.7315 55928.324 154512.2616 118334.6164 68103.00605 55062.0328 56820.09273 53623.272 65411.60314 59692.78028 72651.23584 78195.72233 70470.83824 27394.62044 23278.86031 48315.80943 234419.9375 181330.8968 81830.09622 193306.3253 22363.52946 43030.80774 148706.433 170134.456 FFA(22:3) 164606.3682 186603.1294 76327.1714 101286.7303 142727.312 75769.31453 140595.0793 149416.359 212887.5701 124210.9139 101702.4919 257330.885 160296.1509 92092.68778 112706.8375 107617.6527 53560.03757 88569.63136 98419.3717 67290.101 100668.2183 168635.695 99772.15184 52458.95667 125721.3074 195214.0319 341056.8761 131614.5667 74533.76639 29673.46636 75179.2297 265836.0603 270724.8274 FFA(24:0) 513356.1458 416872.4616 208909.1123 305674.8664 354334.508 297188.9061 264204.9448 201703.9767 504488.7575 368290.804 250607.6951 535015.4292 485933.2037 383487.4492 284487.6971 236401.4322 434444.4659 425153.6974 291544.5679 230720.2922 425040.6293 288547.6107 173349.2691 176162.8471 227631.1853 434183.3105 643990.7234 313569.2093 680829.3765 212589.3443 282255.9403 518581.6053 382155.0826 FFA(24:1) 444025.244 362666.3041 124891.517 339999.5339 260446.3492 114496.3522 246170.9864 230493.61 494266.0433 294507.0435 286156.4023 396850.3317 430227.1482 240846.0769 247163.7935 140000.5439 154375.7378 212736.1274 213971.6314 211122.9497 369874.0266 255414.2792 70654.90988 110449.1994 195849.9152 383211.3885 629736.3399 278817.1418 449662.3657 68182.12688 249720.8104 398774.741 314744.4875 FFA(24:2) 110499.563 108409.6509 39162.41149 77417.62767 55071.10568 53234.13335 65379.49376 57257.28289 149207.5544 95015.2683 81566.96637 104602.6058 110793.7889 81889.77275 59167.70163 68506.76125 35834.04999 54482.40502 49690.97968 69082.43405 71643.95877 68137.76002 31368.12392 31753.23751 55587.07971 147626.2814 141982.1547 72252.76963 107033.3714 29727.15564 87200.40628 94210.94696 135754.6006 FFA(24:3) 62905.00002 32336.5486 12551.06681 11728.38557 22330.29697 16229.26977 24596.16469 15213.59579 51672.6694 5713.198416 19983.96754 27715.87168 42275.3645 27858.54671 17518.71562 10052.11354 7573.658277 16309.36645 19230.67138 13108.61184 24578.19262 31838.57965 9559.899645 5961.347115 10309.21652 42145.25607 93167.38138 21388.38948 6452.26784 7498.165453 14546.72085 60751.54856 47121.04262 PA 33:2; [M-H]-@1.84 9452.058778 6557.485535 4847.02227 14353.21126 6828.418075 6518.170653 12815.70106 9232.446777 12627.66418 14790.03733 6838.997189 10648.12387 9653.46121 5215.8315 16451.8193 8244.902834 8154.960232 12076.20364 13239.39141 17546.36304 10950.89954 11045.18789 3166.091999 553.612221 4778.192536 10524.73785 18726.53503 10062.11075 28697.15385 802.9904224 15091.86078 12036.26797 10033.48751 PC 28:0; [M-Ac-H]-@5.44 94130.60166 64311.7765 29790.48451 18253.22454 24712.37166 31454.23362 33145.43112 15341.25625 51758.3107 34572.17342 23588.65844 57840.61369 73042.35119 14659.55302 39778.8037 16410.34182 18977.96056 28787.07333 12557.20952 24874.75324 33661.4777 16200.89446 29268.34103 23158.4736 20469.8049 26930.21975 91562.33328 14819.7612 60832.39142 18715.83306 14539.06795 72522.27051 37348.49217 PC 30:0; [M-Ac-H]-@6.17 449114.1715 213524.8859 72484.64216 98111.0081 122346.6958 203848.9406 153742.3524 77497.41846 182052.2072 111086.2967 78986.51268 194857.0943 289475.4696 88766.19859 92157.51415 83564.51335 69579.16455 227034.1497 79931.93244 92415.89413 96074.41216 124521.4703 179360.5156 91446.10357 85235.13471 96080.37076 353439.5435 134895.1498 618447.93 280610.905 100714.7161 200722.1147 217815.9757 PC 30:1; [M-Ac-H]-@5.60 57544.47943 23852.96803 9317.122445 22875.97313 21878.35774 21415.01911 16493.99266 9324.112644 27328.90346 15732.20134 12417.27919 29230.67472 58123.55879 21184.84961 18659.94003 19586.39046 7040.450984 20298.26078 5377.020472 19939.56037 24698.51979 22737.61593 48189.44431 12109.16763 7895.092217 24082.16423 59187.85945 18760.34447 34551.24701 20900.92184 7788.955455 38645.50406 34117.5775 PC 31:0; [M-Ac-H]-@6.38 68103.97495 8586.061065 4429.339202 13453.24279 10651.70967 11600.06163 4823.920238 9938.125684 15897.95544 9427.389585 7865.200738 11799.82623 19122.14022 9712.731471 7133.04871 10138.12368 7342.990825 3737.324598 9294.190675 7788.621161 8567.006789 7152.380707 14316.84352 4401.436083 2143.708861 9281.972184 10330.30701 7558.710312 7918.602358 14370.83042 6765.869914 12055.3496 32253.34524 PC 32:0; [M-Ac-H]-@6.83 1122812.823 358577.7197 245848.8899 368702.5467 400224.5067 594492.6827 299094.7805 266297.6523 457549.396 329206.1867 255998.9531 703223.2668 796567.3979 340473.4135 263499.3387 348154.5288 219043.4976 634523.1428 276988.7426 373397.8953 333557.5176 338025.1096 493302.3645 195843.5081 275929.7642 313134.4591 1343335.198 384448.8354 1082567.818 944297.0418 333201.939 686948.3185 852506.8353 PC 32:1; [M-Ac-H]-@6.29 196326.0047 89388.92567 99367.14324 139452.4027 161675.8753 97650.76871 83861.25431 121540.0324 106331.5409 107343.0315 60000.02474 145119.82 197288.214 81883.13671 99519.76518 114710.9575 63802.56204 109472.5579 73518.70173 119677.2242 138300.9841 129722.6251 201809.415 83910.87772 133726.1585 84575.13545 407578.7138 153613.3811 197086.0392 363738.7704 122218.0232 174255.6748 209329.9622 PC 32:2; [M-Ac-H]-@5.79 151392.1547 182871.6247 96068.44859 92201.93724 75433.66237 37120.86339 86383.75614 45364.62402 141875.5511 62168.5937 51871.67134 114614.2462 105791.2972 129092.8116 92798.87558 43530.89531 68606.98594 90948.74751 74278.33149 80786.51844 121570.4356 56145.53002 81611.15125 31355.52863 59864.23245 114467.1892 114341.9099 46487.74735 111401.5055 24433.74372 56954.48034 118569.7953 76603.36196 PC 33:0; [M-Ac-H]-@7.06 4034.738444 18362.00906 13793.31362 16535.58402 9971.166603 12648.10998 7790.488768 15571.50005 9629.806171 11927.55435 6307.700992 15368.46793 18530.96555 16440.51416 9274.219018 8968.511559 8381.714497 17107.64437 6691.509507 9000.288502 15137.89558 12812.78037 13413.2077 6078.357122 8237.910873 12760.41323 17525.47405 20975.16493 17505.37171 21224.1721 21873.41361 21890.95215 30941.38621 PC 33:1; [M-Ac-H]-@6.63 81501.94106 67716.56052 62581.02213 66219.05689 74405.72044 36690.97315 47886.38724 56810.73062 71193.07363 52051.66767 65549.10978 62801.01393 43434.22174 93211.96139 46663.00901 75213.2834 76205.41398 37837.33451 52171.29911 84368.96914 85230.49039 45641.65236 51960.38434 62090.62588 68510.82996 55829.9304 58950.89479 49003.10846 139617.8976 44397.35045 51299.56769 91609.15368 46633.79019 PC 33:2; [M-Ac-H]-@6.17 86431.12761 91224.70515 69682.33478 70326.37937 71752.86387 56953.67384 45227.52797 85445.19693 69924.18677 70343.14992 66823.54453 63084.65398 62950.08682 84305.63773 79374.90417 77370.24841 98576.15638 80531.32534 104351.024 64682.77936 161428.4408 51384.20443 46168.76795 46076.44047 54470.21795 105273.5457 53011.46391 56174.97117 134821.9609 26533.32085 89385.97962 77978.32714 68238.17624 PC 34:3; [M-Ac-H]-@5.99 76935.85378 213831.7609 145007.6892 99662.13591 114502.1971 55331.01847 83345.76117 108097.2428 155249.4999 104560.7582 71337.44546 107350.0746 115013.5699 200780.6779 149360.0372 75013.07408 152427.5495 127157.767 149274.9265 120774.6953 205755.3584 119792.9045 78186.3485 52324.24677 124425.7421 127346.8601 124364.5667 96752.17264 151939.7858 17809.80213 139505.6911 160773.592 124588.5395 PC 35:1; [M-Ac-H]-@7.30 52793.45753 96900.82731 113794.2979 100790.5306 50366.18423 36796.57609 49329.5417 138472.2967 72639.51612 79699.81006 44088.07442 62920.82175 46921.81112 83201.40807 72530.4416 53440.133 26307.08211 44482.23187 66111.83185 52853.89622 88203.46123 166427.8155 59716.26792 18337.23538 23145.68383 59667.98066 45918.16461 70953.37112 81264.48987 13874.04149 90244.56158 90108.19793 56825.94518 PC 35:2; [M-Ac-H]-@6.80 86305.81635 119732.5227 68790.29061 132383.7744 17263.27124 26917.02767 77463.00458 134725.7829 53429.13849 113282.0514 55129.76841 116634.2377 35992.1637 128921.4233 146712.8014 79917.6823 23807.06554 74884.52979 141408.7543 91802.41016 115540.772 100690.2222 80780.36776 21390.94757 29662.20347 114300.4392 19133.91851 62217.4792 164934.5061 16430.77664 117998.4647 128468.2649 79162.92967 PC 35:4; [M-Ac-H]-@6.10 77013.30207 58412.2302 24500.13802 31403.53614 28440.91107 20472.68907 17490.42785 26171.07925 62582.52548 41870.42024 40812.95774 23524.55399 33383.06055 46183.97109 38729.28795 22935.3851 20345.63567 20908.25069 66938.93027 29425.46736 56621.36124 49538.30876 35665.03333 10360.52938 26155.19054 36531.46315 41892.40855 42840.69916 21533.81232 21683.0356 41284.2954 48477.67712 24440.67251 PC 36:2; [M-Ac-H]-@7.05 3769978.618 4557670.564 2117513.692 3834871.371 2327599.201 1648214.559 2384785.355 4820241.174 3258690.993 3628717.31 2598473.914 3587969.481 2990567.976 3354130.651 4206910.631 2548145.104 2161970.153 2345267.618 3806226.743 3188855.121 4328394.274 3536539.809 1323391.878 1274345.24 2549051.042 4251086.447 2056428.142 2084702.593 4766874.759 232465.7096 4340671.667 4355584.333 3260443.811 PC 37:4; [M-Ac-H]-@6.73 23038.52937 44379.3522 47318.06867 26900.02502 41769.60766 24585.81041 46098.40678 42572.06703 31020.842 84075.50943 30356.68184 30567.81384 36490.98051 41575.62126 41203.67723 30609.80561 14433.6778 43921.76624 37842.98704 41067.45076 55842.55989 78281.11132 29701.6541 21383.86308 34414.58615 33553.15049 27674.94308 26771.85994 34000.69009 11504.67046 47000.29376 55129.27262 30612.11998 PC 37:5; [M-Ac-H]-@6.21 21907.59586 13789.43668 17107.79296 5613.537629 8068.784061 3266.388299 12754.33338 11867.49562 17837.98585 21150.90446 11252.18394 8449.705889 2862.244093 45509.41944 19666.53661 1219.747176 7857.695618 23385.59157 19947.64321 10332.8134 17555.0481 13443.7183 12387.43648 5272.911668 18862.18883 22388.33612 25268.81971 19507.13185 6415.007462 6917.313413 14497.3555 20452.17187 5977.726189 PC 38:2; [M-Ac-H]-@7.76 342681.9056 195765.4587 120130.9415 171700.5813 131131.3279 43667.00767 143516.0732 116168.8897 121736.8437 163687.9591 101131.7718 199717.6353 118807.61 92210.48519 156730.5284 169774.7123 129997.1837 188125.1089 184094.3815 119571.4444 198118.1449 240987.3696 55588.94638 61917.48025 108635.5024 223159.6949 79620.02151 228803.4729 202456.3406 19998.40558 150292.8773 197225.2598 165178.8359 PC 38:5; [M-Ac-H]-@6.54 275431.5316 599557.8653 394144.5809 333809.444 269732.9065 146919.5318 239965.0714 368998.1331 461096.0153 369895.045 163422.1154 276108.6617 334468.0652 486264.1029 404917.7786 290797.8213 190467.6279 225769.2688 334748.0162 341972.5327 490052.1575 423566.2965 297754.4878 130003.9048 358528.4416 302953.1227 324589.6369 296900.0927 280329.2269 139943.2232 549459.4845 481894.9946 253973.3939 PC 38:7; [M-Ac-H]-@5.68 83114.24987 68975.93503 77170.79616 77727.99647 68711.08458 34660.9268 41615.38531 49543.91894 54173.06562 55067.96109 62777.63982 67124.75133 69640.80672 79861.56872 58588.46899 42166.64611 71694.84839 35480.6461 94326.5744 86733.91944 69315.84293 28052.90977 64634.12377 4960.275049 37648.37441 101426.0518 59209.25851 31153.64378 84878.18681 19704.73642 45545.59578 66727.22652 67865.14894 PC 39:6; [M-Ac-H]-@6.60 15246.87748 10541.51879 8281.534519 15401.88514 9768.154335 5089.575759 6039.199719 4863.682636 14573.37575 10583.40816 16471.311 4457.731442 12076.32344 27857.60448 12740.64779 13213.74523 6193.713325 8102.521049 23558.63089 8716.182034 12070.53898 16126.39677 4601.341499 3577.978509 16832.09188 13077.39843 8105.07053 8453.157309 7434.06986 3943.51627 17228.14278 6627.770426 8116.62688 PC 40:7; [M-Ac-H]-@6.38 58248.75384 57552.73007 32877.05951 34284.83006 42569.50219 31278.14899 31285.96037 28316.45496 59414.26605 35327.17417 41866.26945 44441.16101 36302.20834 53867.25763 36372.05689 38988.08488 34040.39834 23469.32285 38384.33436 38762.70148 60040.21446 26821.82923 15337.40181 6562.315743 24092.87661 42473.43425 36413.64509 25530.38122 26923.13287 17884.0791 22223.7057 30769.25789 30625.29529 PC 40:8; [M-Ac-H]-@5.93 53065.75766 116975.6889 123790.2791 206739.5118 107854.4121 45059.23454 90758.98012 194408.2004 110630.2047 110271.3967 54020.4483 173891.7963 135957.2195 94625.38182 295775.7354 138159.5701 84727.76466 142707.4247 101096.5924 184398.5034 128093.9562 175755.2538 47758.07478 12387.37256 156489.7949 167511.524 206435.6073 130514.9218 230483.2215 13313.52733 264182.5771 153980.2208 173863.8125 PC 42:1; [M-Ac-H]-@9.50 11934.35902 22270.18075 3784.816311 6704.534426 7649.494623 1363.599333 7472.853655 1343.21519 12252.6462 7526.532207 4408.062031 14457.66047 5939.684795 5401.656541 5192.145874 2550.254481 2340.952693 5393.603789 9399.642385 3627.336799 9938.3675 6493.741747 2482.114488 742.9131147 7882.685817 3009.560458 9737.874696 4935.774926 30517.24748 3391.598351 3867.201017 20609.25216 2490.911352 PE 32:1; [M-H]-@6.26 17819.5185 9630.933157 8810.432728 10360.50961 6027.738482 2796.036021 4483.833902 4816.001799 10559.71557 11015.11025 5390.30185 19302.15925 8440.622162 14332.58274 8641.497981 23826.64845 8283.836722 9884.538214 6727.969381 11553.76929 11233.5673 13252.08867 13342.10118 1814.505492 6902.948741 13106.6035 21114.70963 14103.87453 29216.46645 10781.16002 1566.621667 16707.98576 12156.82492 PE 34:0; [M-H]-@6.86 40022.27037 24520.29262 25694.32553 25306.57305 10408.12125 8638.323499 19128.55491 8631.613779 37654.93313 12456.85144 13128.75485 31645.77935 29399.70724 27477.19165 22380.52366 15997.3477 22606.30062 38173.73821 12713.03388 16563.02746 26489.06585 21898.24487 7676.882736 3385.397965 29033.14237 14115.3304 72664.04987 45725.04727 169607.9458 12141.35551 12615.75688 62040.535 19573.42883 PE 34:1; [M-H]-@6.87 316299.4106 422326.6568 226272.412 291547.5052 192508.5049 157157.9175 281577.7621 204808.3744 360012.3285 200139.9732 155075.5531 497219.835 222732.963 398408.3429 283430.6842 296230.6832 274958.879 345739.1563 146052.2802 313749.0388 445144.6411 192684.7927 142429.3601 128563.4549 392076.591 174064.6751 672543.3532 509279.6239 4407415.239 171299.8187 173224.4434 725426.0415 220052.2795 PE 34:2; [M-H]-@6.41 454440.0191 917942.2132 643067.7308 1453311.653 532502.9773 214836.3453 335009.3124 622821.7367 605396.9731 560168.8568 256695.3374 1178171.567 416966.3173 1255003.715 1130205.142 438812.8987 1006341.384 1279856.13 669686.0225 659255.7326 864553.9656 659375.4469 188574.5308 106764.32 906449.562 660689.0237 760385.1868 830634.6447 1627689.883 73253.81237 956096.3009 1096040.699 626110.2001 PE 34:3; [M-H]-@6.02 35671.22778 87012.21856 63060.72524 165187.5762 69642.54095 22805.67354 36159.81546 49033.90992 44669.87763 68402.31944 31096.64201 121124.6922 51445.30005 187605.23 147835.4153 42547.42421 108709.3882 220815.2006 81183.14776 114741.2425 72757.33705 58676.7617 19352.98685 10592.55288 67803.76937 75954.53698 120312.0539 58369.02886 429053.4797 6619.583903 118150.5707 117612.2053 75498.60339 PE 34:4; [M-H]-@5.76 11435.25468 4547.869067 2624.060737 2272.564296 1568.413491 1945.528891 3575.830104 2126.398012 6103.665491 4394.234039 2331.968233 4468.135203 1522.972025 9478.926755 7500.113094 2994.11886 3338.406575 2571.958644 1244.898167 6763.03267 6112.962696 3517.6908 1154.286154 862.3925163 3826.050094 1321.233446 9832.271235 5075.62684 28478.01231 3965.467423 893.1430058 3589.698099 4843.447138 PE 35:0; [M-H]-@7.66 9066.942382 6178.956953 9176.718394 8393.771802 3386.943649 1464.931885 6508.325535 5316.98159 8550.218393 2010.732853 5697.577178 2047.808146 1950.338112 4347.249221 10533.29525 4220.664717 5745.073254 6402.965264 9258.365772 4662.764522 7204.715673 3404.695601 3140.894694 4490.774606 8120.917236 7807.329312 8064.839173 7858.375905 4079.026467 2889.622969 7162.309054 2719.89357 6465.009162 PE 35:1; [M-H]-@7.22 6956.795066 5855.284187 3635.38661 4217.891968 2561.866526 3375.857976 3411.61667 6575.883006 5550.631904 7905.520634 2947.7615 9684.231011 3598.947651 15550.19753 12694.0226 6196.118608 1701.785396 9429.992998 2333.347774 3914.90161 4737.158735 7854.662733 5801.776388 2708.490813 2764.15509 5708.843627 13280.13666 9438.484852 36154.92337 3729.160716 6733.218512 12766.13524 18849.38268 PE 35:2; [M-H]-@6.77 7889.242134 15745.53864 5950.074217 19792.53553 2283.760913 5737.706515 2143.151642 21059.71192 12169.4527 15398.48222 3984.671742 18192.55336 4864.106883 23607.01276 20505.05822 5815.119827 7525.69766 16094.10502 9376.231563 11582.45404 13887.66566 18809.3767 2485.003017 4950.552878 7912.708092 15819.0231 10090.15488 16408.1249 22195.66383 602.7423153 21674.01682 13345.93665 17289.19215 PE 36:0; [M-H]-@7.94 33285.97755 24530.16125 16638.43091 43242.97059 38874.86697 38496.52027 55798.99884 21671.29539 24781.65173 25824.113 21987.2788 29528.85306 27806.34496 25599.51852 30274.21107 28810.09359 37833.10633 34580.317 23474.71 26309.96668 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[M-H]-@6.02 14977.12991 50082.40272 51084.61012 66178.84619 58184.89433 16338.12384 25126.88385 37834.09031 40293.27458 48708.36632 11338.2667 75191.194 19043.07655 104480.0521 125011.4643 29796.07359 53579.62287 94777.86398 47567.59996 79865.02989 56256.92446 83413.87815 25004.30992 6180.152108 73314.51278 40361.38227 148264.1848 75827.65351 423690.0247 16193.87374 299506.203 84781.86736 48466.88521 PE 37:4; [M-H]-@6.72 7724.456911 16913.14291 21552.41621 38844.74545 8997.614001 5786.186268 6638.511865 37809.26663 10558.86104 24862.54583 7746.185081 28909.94137 9535.134833 40735.82474 41791.7691 16851.54036 7313.836217 14140.03471 20745.27599 28484.4075 19879.69649 40811.62811 11477.31866 6506.092137 29989.93047 12481.30718 22067.64107 27670.51219 78210.48935 5704.105234 31384.09164 13719.96045 25739.37892 PE 38:1; [M-H]-@7.94 33507.28811 30778.07494 20477.40339 14648.1826 6510.252984 14362.51354 14088.50546 27142.74481 19596.00449 18150.21084 23018.68798 21097.40876 12225.96766 7304.195158 13839.49359 17055.52758 6435.832369 26704.89341 13100.11388 13132.28452 6633.786384 12420.13905 7188.64788 9419.359056 8837.486922 40011.4032 22882.04759 33686.56298 29157.36519 5409.976672 9963.288691 42752.30388 31230.03351 PE 38:2; [M-H]-@7.53 68553.06251 39921.05759 24448.55124 33788.79896 31395.90734 26302.76899 40208.28667 44150.21577 33963.07117 38499.63178 25954.44521 69889.33998 30184.33291 30640.07639 39075.38569 24160.43063 16739.99417 69994.60855 29024.86132 31023.21382 36056.78189 68975.29096 13848.44159 22967.06922 70037.25761 57349.4441 67954.04856 52482.39795 132568.9178 5505.966157 38938.19117 94493.64737 55266.48962 PE 38:3; [M-H]-@7.28 202048.4641 341355.0056 125013.2864 169185.6982 180675.0384 57171.53478 191475.301 195969.5134 260090.2384 138324.9838 71985.67843 353434.7983 194780.6478 273169.226 173840.3609 273738.8478 137925.8002 332439.6896 240685.2083 153253.9444 242201.4626 237530.8079 65012.03532 41454.45316 268272.3378 134343.7493 484501.8264 256982.4574 361682.6824 80947.15397 170058.7564 479502.7143 206615.121 PE 38:5; [M-H]-@6.53 739300.7792 681067.493 549582.485 871606.4737 496245.634 286335.1554 476287.1598 477378.7729 563579.837 744500.4097 225906.672 935837.9534 499571.0008 983384.7212 898908.2437 536064.1404 499490.8937 1292167.049 685751.5637 669774.663 853597.0219 789131.2788 319099.1283 65561.51789 939750.5481 757433.696 1274477.408 1033021.783 4629257.386 175498.1577 979312.0505 941849.0645 811123.7999 PE 38:7; [M-H]-@6.04 14201.52336 13342.35975 8679.775039 34488.98161 12609.83621 6647.593272 1625.2223 12393.78283 14269.7485 12380.05179 6386.928389 23099.07751 6101.657247 48381.06243 28249.88068 12395.10762 12439.79211 24112.66605 8361.2884 35504.64792 23554.9649 17415.88608 12221.68514 1623.296475 9923.473563 18581.4589 22535.5447 19964.09994 83400.84399 8409.906116 59579.40911 19753.54907 17414.07666 PE 39:6; [M-H]-@6.59 9312.014999 8370.841227 8768.782572 24266.36842 14164.03023 4780.205407 5894.43541 5344.3489 9080.941688 16271.18841 6341.574041 14987.3907 9547.443607 50909.39224 32761.19768 18912.12231 7539.657597 27265.18566 6315.728468 16648.5606 14540.90667 25436.01681 9750.865244 847.4656474 9867.168576 13965.2009 14244.61204 24614.10384 40446.91118 2436.826237 54070.51042 15528.79467 13867.9629 PE 40:4; [M-H]-@7.48 102108.4736 78130.3868 52273.76389 123625.6503 47056.65851 53176.42588 83435.38688 116309.0338 107831.6871 106322.5997 35921.22768 117015.7355 145431.3472 51908.63829 96974.65946 99203.3115 48209.13141 74459.59697 47244.66943 84179.62465 85395.88558 97301.77097 38380.14775 13958.38574 90980.24975 143083.1195 194955.4946 85639.59721 320183.0204 29595.69442 59328.99676 138730.2866 153260.221 PE 40:5; [M-H]-@7.26 199971.0154 133470.8376 128188.1418 224592.9121 66131.29948 45414.46021 158460.9436 175948.6114 168098.4387 154204.8884 80305.17612 239231.4266 28307.98069 51419.55195 181246.7388 185423.8327 167876.7781 375769.2866 173475.0784 209326.6895 221396.5885 187900.4859 145398.1199 46056.80285 207949.7455 160647.3194 364729.4374 344431.5934 714707.131 156614.4652 311233.1106 272393.0188 286194.8395 PE 40:8; [M-H]-@6.00 46388.7281 59141.29783 42624.02498 67094.0539 63226.95149 15792.29279 49344.46954 31804.71737 56967.60883 47345.35635 28727.07971 93551.54217 40818.95695 88449.30342 96001.96276 26586.14104 22129.84782 65712.43871 55144.52232 71428.98986 66078.88921 69027.73954 15743.59901 4810.511843 107137.4393 72118.57614 277341.6452 55850.18997 687276.5907 8198.12237 98356.73557 98401.15374 66819.52328 PE 42:1; [M-H]-@9.00 1660.855116 3389.265034 560.0656246 2361.038689 3789.002478 3311.930658 2833.395098 2060.321212 6838.971519 3043.668396 380.9152466 5545.163474 2187.600187 3670.145914 5954.50345 2058.07866 4118.167069 5619.429472 521.4195085 1412.912663 995.4668719 4028.134893 1134.212725 1549.523628 4555.072364 310.5731614 18485.63881 7564.018896 12694.23764 1362.138397 5833.503086 7192.808444 3667.042516 PG 32:0; [M-H]-@5.73 37736.31672 2529.348067 3672.273925 2321.668887 4886.131421 27626.77254 7958.111228 3746.508138 8259.664995 3782.721045 1123.612211 25006.90772 54946.21337 4367.010084 831.5145992 2170.246165 2952.972838 16310.96758 3042.887217 3554.863112 6363.302338 5025.264288 4035.262376 1251.585134 452.5341965 3018.234312 59287.56472 3555.07841 8602.108201 54154.187 2983.635251 1948.141187 46331.46634 PG 32:1; [M-H]-@5.23 22997.219 1745.51263 2784.013224 3099.729582 4695.283017 3620.839924 7420.559535 3646.083372 11876.80169 1466.275138 739.0015657 4586.711535 29099.20994 2842.449095 1767.146936 2922.436238 983.6309852 4680.54485 899.6897915 1299.567686 1042.831848 1071.727156 3730.39376 671.9623546 283.4358644 2655.220616 32677.15911 1336.822097 1714.359386 50550.67678 3644.943236 2176.030528 32086.56429 PG 33:0; [M-H]-@6.03 13645.0878 20368.92697 13224.46497 16024.39838 11763.82389 28406.41821 26596.34139 26957.00861 19117.04082 12942.08766 10948.83257 10674.86217 14775.71411 8651.788387 11016.23823 21522.15022 15346.69422 25155.14806 10915.44692 12762.61864 23202.76732 19212.36562 20299.80391 18499.38174 7224.147443 15235.70316 24647.88546 14187.71168 21711.47815 12128.08262 12256.02881 18223.45778 21673.92098 PG 34:1; [M-H]-@5.80 334119.47 42872.89857 26303.43557 31329.6166 39478.40831 173802.3811 71341.7218 42187.79681 136793.7134 14709.22728 13345.35268 195968.1791 619021.6053 34753.84358 59512.01855 10090.48138 14995.17571 75971.40986 8004.613096 57305.42894 40760.48125 11054.07115 1906.065291 2964.031088 24621.43779 34380.10415 583786.1845 26368.52449 37498.35244 228846.9794 47932.57707 70492.07684 334788.3164 PG 34:2; [M-H]-@5.31 71299.25006 16127.99317 17800.27774 26971.69799 18856.47274 28833.64673 22189.35618 11908.68289 44644.81052 7422.165724 6020.046462 40785.40487 119692.9844 34082.48449 22075.84041 1888.317845 6699.067708 14834.51307 5984.172675 7533.671101 14735.0563 10193.76293 2478.217091 2088.291612 10654.68665 13973.6079 92159.82991 6128.2807 8574.829261 43946.77328 16629.51766 15538.81964 88056.20185 PG 36:0; [M-H]-@6.87 20325.81864 60358.19045 35274.36306 52750.09626 20622.08957 22912.23822 25083.14724 64206.74895 77306.81718 57800.55285 21459.48241 22051.03359 22433.56122 27112.81083 37399.44761 42643.35983 28447.97881 20542.485 32912.68384 40304.46395 31593.05345 67863.35171 40689.67333 52777.94085 33433.15903 39338.66329 16694.54793 25724.66355 24594.5861 55695.7319 43864.46934 30512.93049 39501.31986 PG 36:1; [M-H]-@6.13 333403.8233 35393.29818 18125.31387 27070.87151 26771.8256 139733.4111 60207.50914 30667.73928 52387.20826 15166.89206 12343.6093 85630.56366 539168.448 35134.05931 22533.48725 20025.44656 12973.13627 49994.16248 8415.062331 33342.05738 23159.22531 16542.55323 8211.581305 7170.734893 15642.54481 40217.88068 230596.4434 11243.21523 20207.0181 215413.8106 27772.43197 30624.18179 140728.4951 PG 36:2; [M-H]-@6.07 506887.423 90975.0351 85740.85398 76952.04965 161371.516 275686.3108 314328.7902 62472.28611 233988.1377 56821.98012 58268.94699 344467.4049 869336.4501 79225.65871 135179.8333 36687.4033 54413.57499 214819.3306 45473.56354 87215.6991 111875.1297 44109.95981 12700.55875 7573.569632 59016.31159 71336.58991 526767.4267 51648.03199 55047.78528 104773.7171 151056.7995 123618.7421 596335.0543 PG 36:3; [M-H]-@5.28 313580.3738 24270.65347 34863.47387 75633.98223 118486.0368 110879.0942 32712.94123 19203.87425 58146.35174 24789.96755 28403.87244 68304.02978 208195.1777 39888.49186 17684.62794 18742.83461 32693.9359 67606.36512 26244.99321 38529.69937 43314.06259 11197.44204 7572.172202 4136.479232 19576.43823 47644.34855 53711.3697 11191.32025 62306.68477 9520.55312 12769.95951 52152.35704 134127.5037 PG 36:4; [M-H]-@4.85 17655.66923 5996.182282 6020.622957 21680.57947 16140.49018 8920.646899 5580.509264 4362.274981 30359.54592 6014.642263 3371.113264 14964.40762 30316.96431 10582.7994 7090.728335 2243.984615 11220.51539 27867.76643 8937.689251 13675.76782 14025.80338 3507.35837 1922.41088 1071.217445 6880.196407 8635.170686 54914.33208 5942.426346 11418.52837 2315.018792 13735.74435 11801.77648 16032.56556 PG 36:4; [M-H]-@5.39 56645.88574 5216.938914 3704.600996 2312.702869 4637.437006 24726.94376 5354.020643 1780.711984 10945.25664 7348.185796 886.5016422 23543.01552 63687.09941 5151.358559 5222.007615 1598.278625 3353.512858 10356.14398 3433.0149 3978.443159 7924.328759 3698.585147 1985.931925 2342.804719 3894.980053 8646.268966 30659.3048 6020.134868 9010.318478 16246.06511 8127.017764 3950.784342 48289.55788 PG 38:4; [M-H]-@6.03 66573.05538 19939.05247 17815.04932 14892.04909 17439.7459 77697.02528 36867.8387 11655.19183 34253.95952 18015.83101 10510.13926 68102.49715 157818.5646 22414.26704 39261.88232 12537.39045 12476.76317 23360.34378 9493.825124 17607.07476 32890.38079 13489.99007 1085.652494 1689.418441 17387.90731 49018.57176 100205.8248 9723.093384 30256.60242 46455.41268 34447.15904 32086.69464 105017.3273 PG 40:5; [M-H]-@6.04 22597.30973 4969.303321 10567.5608 2390.885973 1019.134335 11217.55094 2259.130703 1514.2537 4266.387007 4831.602416 2798.176493 10674.00032 23830.91578 4113.104979 3968.022877 3323.673224 3292.611993 2486.386528 3495.683702 5305.687972 8618.217923 2577.54698 1348.3316 4259.279571 587.1110545 4730.229084 11127.18665 2084.402618 5232.762688 56184.67979 1297.089044 2538.266327 22633.72317 PG 40:6; [M-H]-@5.58 38977.96093 10116.17161 2706.486242 14320.92412 11476.9232 8821.717474 5207.219749 4206.990515 9486.185098 11407.92705 6586.008826 9913.485815 22749.74291 4268.378763 5876.079456 4783.807856 2602.664533 9010.671998 1907.705257 13919.54944 11319.68006 6444.187073 4104.586451 2759.060661 10276.42002 5662.317065 49649.11383 15140.23899 9744.422885 55773.24303 4095.849921 16506.4778 20680.60952 PG 40:7; [M-H]-@5.10 44884.99457 5689.269628 12283.72676 11915.9453 33086.79913 10048.02993 8569.801109 2033.092684 11325.5791 3984.211311 4941.698129 32659.70957 30647.06997 15121.75845 10240.45672 5547.290934 6704.652243 20630.06092 5713.398678 15438.78025 16807.00279 5737.631471 1998.312269 1821.365939 5377.610481 5460.861353 71225.95419 14595.47715 17706.02026 53278.21045 12451.2175 7894.538611 18781.26266 PG 40:8; [M-H]-@4.56 10387.90479 1800.345834 3643.875641 2714.406991 4337.081691 7990.761489 348.2648775 1586.739254 9167.784116 5187.692087 2832.06473 9803.429427 10848.62043 8284.451045 4750.999589 2216.206655 2651.008732 8682.002001 7109.311259 9666.795307 2778.353268 4621.875637 694.7790657 2663.607878 1987.120809 7122.898157 8995.512444 3920.155524 15562.12251 3927.635487 6536.545093 1388.277844 7982.865107 PI 34:1; [M-H]-@5.66 16962.41493 36343.645 55528.5217 52917.6554 47427.03954 27774.37428 28202.77352 35571.78678 41198.07391 22874.46608 30090.97086 55042.29419 45721.16981 56484.28456 53709.88019 23829.27983 47166.81234 78712.22679 18049.55752 81395.49785 48407.83322 20587.70565 28739.80156 5230.179856 84782.38881 23615.42302 73095.94397 56679.4707 491538.4644 36980.23174 82801.63298 65229.77839 40550.87626 PI 34:2; [M-H]-@5.21 21858.92886 68501.37988 24043.43497 60042.49848 27805.16221 11882.76437 22335.55695 43944.47333 34409.71131 20068.66773 22489.89086 39432.46248 25609.89011 47058.39409 45536.78848 20827.32452 47811.40856 17951.81942 12575.13169 28006.53565 28550.82554 22848.42216 8223.141129 8792.022729 38472.70085 26764.14162 28586.08733 15353.43644 270127.4079 9989.476373 52922.05529 46395.42276 34626.35125 PI 36:2; [M-H]-@5.85 114913.0797 135365.9111 76457.51649 195948.655 108659.5143 81210.51561 56451.55123 73704.45502 86472.43467 58088.87326 42573.5474 126048.1376 87936.36263 140579.8476 103006.5572 49325.46734 159568.0995 115829.9454 107023.8814 147763.9595 118772.8926 43068.21582 52068.76371 10307.2856 69871.12262 141849.2379 126881.35 60384.74435 553488.9773 32740.7451 99738.73449 100216.9335 115039.296 PI 36:3; [M-H]-@5.36 39186.58319 50700.99966 31392.47619 44790.05424 38224.39016 33363.58308 37247.85473 55416.36126 36150.32137 32836.61364 23146.36601 43715.09478 32073.4556 31635.55804 55632.60709 23507.51949 25817.67557 29478.90097 21407.84598 52170.502 48623.78233 49741.65836 30238.06451 7996.342734 38537.91048 52477.15883 64008.50663 36866.24272 194584.8833 8469.002129 36256.98111 57834.8071 59918.85948 PI 36:4; [M-H]-@5.20 29135.41321 77081.2455 42404.26142 71201.20361 77643.92186 27316.37462 36353.26748 73992.59158 65081.91646 39239.41053 34274.34371 59849.32566 56189.97433 59137.97133 86455.74869 21121.06816 34858.14418 25398.93448 11635.22802 58385.78565 79265.49192 59087.62565 23986.86722 8797.930176 103317.6048 35051.60313 45295.26473 54377.67937 221991.1429 24555.5488 63706.86614 79664.48577 68446.34712 PI 38:3; [M-H]-@6.05 117249.8399 228934.481 314671.4391 508721.3048 216126.5022 101148.2604 207366.3436 508630.3451 213057.2828 214697.7007 135345.5818 357550.4528 325878.0171 226363.2529 578883.6115 280606.9677 208560.238 328933.9267 214677.666 354517.9101 274336.4277 333345.6588 119112.8609 26696.59227 338830.0601 361778.1855 337122.0545 290033.0411 484651.6926 41744.91956 442374.2215 233745.4045 358480.7558 PI 38:4; [M-H]-@5.84 279385.4642 497992.6329 475414.9832 812476.5509 556208.3868 288195.6283 260834.0339 760850.6508 582592.202 380305.4105 312277.9217 586683.5854 473042.1258 592577.4415 756140.9718 328848.5852 381918.925 333605.3225 370320.077 764727.1173 767005.5559 497729.9727 285785.1378 65574.86814 778197.9565 652873.4136 537267.8824 591559.8268 1397457.401 181332.3385 691330.0738 512784.689 382043.9654 PI 38:5; [M-H]-@5.32 20902.91554 61502.54603 35086.03032 42389.88222 38454.11255 11931.95051 38911.42921 43855.90162 52282.02433 34827.31365 20291.56887 52625.18174 40216.74032 37000.20639 66230.96346 30792.33696 17716.90404 20730.9981 22578.75685 39386.91423 58866.52913 93837.16498 28774.20924 5657.443976 44457.14415 46111.1112 72933.64044 31110.46157 76548.70634 17173.00262 56216.46396 56526.51815 53961.13918 PI 38:6; [M-H]-@5.05 8631.052974 23117.88681 13180.16093 6469.400611 14718.64492 7070.37119 4777.473011 8198.801881 12262.14208 1579.427269 6908.957906 11973.62863 13739.58249 15986.50305 18683.80088 2467.443014 15446.38353 7168.567546 5711.140896 7555.459047 18052.91458 5803.953761 1496.062293 3311.952484 9351.584846 8567.049851 16174.82829 8392.349829 24881.29197 11508.78301 13064.82272 16455.95357 7632.37674 PI 40:5; [M-H]-@5.97 5572.895143 16670.38031 18956.50997 39200.77375 19700.28515 10302.0987 12980.99824 36234.76635 22395.69091 17584.26617 6177.918343 21184.88038 18194.32568 25170.27204 32738.64537 16851.7091 7199.298802 8538.973892 5963.373776 32284.87789 20776.31238 27965.99692 7764.56198 3379.755921 39630.63663 26579.0143 20768.86736 27964.46248 47349.94409 8836.872795 38887.43216 13770.48519 23686.88844 PI 40:6; [M-H]-@5.76 12706.69609 44834.88221 32895.41604 32138.33197 45157.29151 17729.95589 10614.04316 15150.30927 36952.37233 19323.13776 20232.68678 23215.04535 31140.15131 34304.90213 39795.88239 3036.572432 67307.98612 15947.81741 20865.84408 34418.61508 42143.25182 16029.78022 9565.338341 4298.187792 26085.66285 24906.96234 29251.78162 29357.59669 96459.88627 6499.445312 53790.43083 21163.65972 12924.04553 PI 40:8; [M-H]-@4.77 361.9431619 572.3067268 1600.012019 431.4380878 1535.06343 1935.181803 1205.816539 2745.795472 3076.563071 3517.070236 627.4955724 342.0009367 2118.256997 1115.805666 987.2331083 1960.429187 634.996251 1128.442569 42.18652465 229.7821156 771.6710591 2342.111004 284.5627081 817.772446 2701.508992 2015.153052 6708.321853 1467.918934 3821.373264 381.190868 941.068564 2186.102693 391.6106711 PS 34:1; [M-H]-@5.79 14699.44338 8380.695706 8370.486434 7791.478888 8799.844131 10982.26185 10290.871 5612.912637 10918.41566 8997.82393 5687.00383 10932.76976 8751.219096 7965.721247 14867.46898 3862.503297 6111.126754 14853.79283 5651.861146 8985.960627 2869.94765 3457.537402 4549.945222 3385.930429 17024.89429 6914.143721 25013.42992 12545.88368 46204.2664 8170.100328 14328.27993 27738.27485 16466.88756 PS 36:1; [M-H]-@6.67 120521.5973 90748.75775 62981.90311 101288.0199 97894.40028 76149.92964 69670.23117 85906.57546 139830.6407 64953.3653 47806.49991 187303.3176 108802.8197 69360.67857 104550.9049 62427.17505 40910.20348 131977.6879 41008.51403 81224.12511 72250.54356 67425.61018 3765.528432 21793.97386 130669.4921 78937.90804 361011.7107 115655.6299 309323.1429 58867.42737 114843.5267 264321.1096 159725.1435 PS 36:2; [M-H]-@5.92 40009.96055 19905.57466 23880.6594 43869.58641 11377.0257 24910.88399 22083.1715 15643.89943 26613.60514 19086.78481 12080.63185 41409.71088 42855.92662 23539.2083 24117.26951 23547.72085 21401.57798 78178.26334 13039.42939 26356.30082 21925.12052 26241.49952 15893.31105 4556.21981 28760.48029 27618.58987 107856.0408 37143.68043 258106.6237 8410.730367 35380.70572 48632.9261 46957.99569 PS 36:4; [M-H]-@5.31 3506.08457 4146.501362 14931.73401 12274.47901 9702.749505 5749.747366 11844.34979 1870.421571 3719.844434 5414.728212 4866.766765 13888.1969 10164.02802 11050.44571 15047.18373 5392.726806 9006.408427 16615.85595 4145.413267 13824.65899 12982.95577 21944.57743 5644.847298 3625.532721 17055.98551 4267.655511 24843.66286 14769.33999 24865.72691 10044.44823 8440.764028 17302.3727 5052.904836 PS 38:3; [M-H]-@6.19 15568.15163 20598.45362 23250.77829 47775.9769 15971.77827 18714.48284 18234.97188 19653.65051 12093.46874 21463.36898 12024.56972 38285.5854 20228.96334 26854.82163 21426.11421 31776.85484 19995.12773 81486.81294 17763.70221 24574.07515 17505.54067 25569.54441 9269.815526 5571.142325 21564.31762 22536.58033 60884.01135 55065.68787 149748.5533 14497.58181 52318.41005 68527.50679 23651.31919 PS 38:4; [M-H]-@5.94 40611.55655 60726.9584 50434.87271 117305.8465 101601.9955 43034.00352 75504.62957 69388.82703 68901.798 59062.90836 47387.77567 97523.93433 75944.98704 62781.45546 107833.985 105440.8784 58185.04504 203287.516 55825.36702 90512.90801 75813.56651 110444.5153 28661.53397 20752.79429 132304.4433 82745.9886 216719.7169 130008.7539 1382214.244 68372.66064 62543.24009 154960.2837 96877.69958 PS 38:5; [M-H]-@5.47 15570.77216 3066.127187 8880.769912 11698.07028 9156.665844 3709.289141 10206.42409 4145.606449 11126.04397 3954.005969 6550.044969 11562.68695 11424.44734 17603.50069 14619.63871 5875.306855 7385.952998 23314.05153 5833.846351 17433.94124 8650.283872 16013.37974 3070.756096 780.2533302 14847.48355 14325.54576 32595.55514 32640.90503 64319.86435 3487.495787 10509.16004 16006.9453 13706.80354 PS 38:6; [M-H]-@5.19 3974.369819 8938.544554 15196.81558 28510.98631 15378.82115 4453.69971 4843.961328 5006.901436 10632.33428 6376.296629 7951.129646 14753.38579 10753.18952 38696.37817 11588.49408 6002.057484 18348.13869 18684.54301 6496.056866 36081.56674 19552.34431 16431.34466 10330.82938 698.2501998 21465.89661 4536.913975 22955.67464 23810.95906 17165.68154 10879.3129 22935.87485 17490.56316 6034.519845 PS 40:6; [M-H]-@5.85 28119.89908 56283.01044 75784.86809 107651.2167 54705.61397 51062.80608 41831.6814 27130.16437 58133.10286 37406.92646 27112.23827 101976.3964 68305.77468 72048.25904 52184.55775 17629.69742 92015.14747 245434.4443 29607.56102 85305.04123 67249.33852 29408.95637 51633.9538 7837.017569 99828.40846 27168.27202 116609.0945 102944.453 1002311.024 34344.02371 128327.4814 110465.9128 46953.67432 lysoPE 16:0; [M-H]-@1.70 90304.33285 143381.7648 53659.15994 104834.5965 51426.69643 31416.10477 58893.44277 63566.4464 189453.571 71040.55971 58877.10706 96657.62584 152645.1549 109248.6891 96731.68817 52580.10838 85780.01863 32300.90583 72391.57553 130471.2348 167826.7983 93359.33731 42026.14796 67798.0668 58935.25678 88854.19579 191350.5614 166558.0745 76115.28752 39573.81575 164613.2393 178778.4658 132339.4817 lysoPE 18:0; [M-H]-@2.47 441267.3792 282070.6022 133343.1225 279850.4217 130596.2089 114411.8093 180910.9092 137244.4863 530288.1814 243930.6149 127860.6096 330783.2162 486563.4727 290240.6521 247101.6003 121431.0869 177544.4854 156109.1007 194380.5397 311472.6986 372579.3148 156457.3952 69824.43051 106312.7299 101994.0747 339909.6879 731385.3569 286012.7248 435680.6019 46448.55929 481982.5165 379809.8915 375277.6481 lysoPE 18:1; [M-H]-@1.83 230735.2112 233161.0899 83918.31543 99088.00062 64495.80815 80242.76454 203919.3974 157646.3346 358362.7332 146557.7589 137665.9703 244659.5816 416801.3346 125612.8681 168537.3057 53827.02495 95572.34953 37309.98168 155248.8686 124503.4326 193152.4234 125479.3252 38206.28338 52332.22085 98024.02854 260015.2806 346470.2391 75506.34245 107857.3574 18090.66231 95495.10171 449642.601 248648.642 lysoPE 18:2; [M-H]-@1.37 240721.0531 134446.9592 53005.17043 116572.1101 32713.23953 24325.73113 63321.67415 78803.81917 206226.2474 189211.2202 97378.11374 157682.5941 120610.1959 150730.6977 192612.6575 59803.24812 106900.8042 55806.4179 268598.9481 90689.99834 155849.9915 153477.8512 25430.00625 27143.08437 55766.82829 204350.9391 263147.7936 88281.5092 40026.90322 6573.914558 206966.6297 285733.3621 177962.1972 lysoPE 20:3; [M-H]-@1.61 18539.81588 10895.9364 9535.744815 14637.73087 9761.131102 5653.599178 11212.05981 15623.74717 16875.76562 26898.2327 10418.5221 22008.9697 16435.92088 11629.22027 16228.56667 28392.32391 9569.993485 7699.344594 15766.38871 8186.248202 15527.04342 30018.17457 5600.088706 8121.581249 6629.971809 25606.65507 38881.69959 19140.44637 3650.880874 882.4996294 6120.955122 34957.93446 31950.24786 lysoPE 20:4; [M-H]-@1.33 160550.2208 192345.6332 75575.25957 107090.324 66079.1949 55542.70035 112647.8578 126934.3767 178714.0109 270289.1523 76284.48291 180821.8417 147798.0414 161361.3755 183290.3249 146448.5749 164504.7314 69652.62154 188957.401 117246.3723 203799.0711 268095.9325 77654.2412 81501.16632 94379.28567 163284.779 454437.6361 158489.2854 102551.8097 10717.80824 173045.9211 357446.7833 212358.5505 lysoPE 22:4; [M-H]-@1.87 35870.18597 13373.73445 6989.639611 11447.1834 6439.355131 11657.03277 14359.13808 22206.59262 30409.24749 14592.15643 7455.467923 15151.36245 13965.37132 9050.794777 12033.40775 17489.91901 21887.93219 11786.94544 4110.024841 14977.74747 15444.81055 8700.481148 8045.030854 1620.527554 3538.79307 22414.85083 37232.94947 7089.27151 30151.61542 1352.509405 20042.14952 16982.15376 30165.98958 lysoPE 22:6; [M-H]-@1.27 42421.25602 183502.1199 95454.08422 59822.36672 71657.66889 29201.82794 52541.05083 59549.66151 236150.0588 182460.2335 50444.07538 157781.4512 73366.79705 247956.6369 167937.7853 49499.08274 161037.0523 37268.65621 130140.8575 100619.6897 155284.4587 170141.2407 67236.40621 108046.5369 79218.87829 91053.28992 281551.0454 89805.83634 61374.39319 17266.98461 297961.6849 169945.0169 62106.49806 plasmenyl-PE 32:0; [M-H]-@7.12 30000.90868 21238.46416 16580.56398 11130.92088 14059.14654 7069.874106 9871.881405 35168.67652 17299.80867 27710.80443 12232.83531 11130.99194 18627.207 14590.14195 17041.29867 14060.96513 13531.00491 25672.90466 8910.232137 14657.96147 28467.82701 16416.43744 15585.69898 3437.045954 6324.067711 39228.08877 28656.36516 21257.64844 19639.59659 11392.29599 10889.89947 37742.79047 20185.5904 plasmenyl-PE 34:0; [M-H]-@7.28 61883.26798 136239.8729 73571.72049 98105.38918 62236.38971 41983.07886 38697.32161 146080.7407 86884.70351 102703.7878 51394.8431 59796.82201 73179.00449 84682.68312 89768.1335 32797.87298 48803.31383 36810.61226 56585.22504 68614.61557 92517.42764 71957.35308 47390.75802 36868.98659 53505.15907 97184.68443 105671.6852 73034.72013 190859.1602 76949.98704 73862.44336 103429.3212 70580.9795 plasmenyl-PE 34:3; [M-H]-@6.40 32501.94007 13024.32869 14683.36251 6705.8492 7131.446628 2496.673047 10048.36333 12812.60153 17405.48165 12235.22894 15797.82627 17252.91701 19797.20451 12002.93625 6358.076017 15833.28771 1276.103529 3102.196298 11507.80757 2578.373878 11712.76906 9659.891001 3247.436669 2525.710959 3063.255286 25183.65286 9415.669469 2288.039011 13210.60733 3703.771301 4526.733109 10499.77154 17667.68107 plasmenyl-PE 36:3; [M-H]-@6.93 426081.5322 779957.4551 308784.8362 802232.3681 295341.7245 110891.7833 422673.3527 698454.6632 696383.5157 525788.4737 214600.1249 517570.9934 439770.4659 434277.0042 644656.8073 349287.5686 352304.5275 210349.6681 506651.2055 337528.3767 708570.5371 676813.1078 109826.363 210955.5739 260348.4151 501445.6288 432807.4721 249859.5388 513433.2177 102471.4278 718781.1302 676664.4595 463658.6273 plasmenyl-PE 36:5; [M-H]-@6.36 38535.16415 42098.72017 12346.33213 41186.69906 13741.00158 1414.349922 8756.733667 58268.72027 61917.01479 46714.3967 12587.0567 27575.83023 26381.09367 55910.43814 51157.72354 15353.13082 8759.09709 25608.10988 32481.50624 28980.93918 47470.52036 38819.41678 6225.821309 8172.181137 18505.93368 73838.80525 58313.43959 22015.17084 103971.8929 4861.880057 275574.6307 40722.98662 29960.79382 plasmenyl-PE 38:1; [M-H]-@8.31 47902.11683 39739.65191 20957.03364 51934.63849 24483.06933 12983.01074 22841.25089 53070.78406 43974.8791 41964.52283 25995.22881 26815.92357 36256.52564 25662.93494 45036.35332 27484.38276 36581.49821 25707.43968 43544.70165 60512.77847 51447.50755 29266.19374 14097.59417 8002.179753 19579.30927 49509.82739 61227.1631 21746.48906 95263.60638 6977.037576 62746.62316 74300.28232 30467.06324 plasmenyl-PE 38:2; [M-H]-@7.94 73237.23914 96954.84828 34036.91231 132963.2774 46433.57439 30214.67816 48015.8099 70405.31474 72806.37856 55443.99359 45110.99545 81430.52658 61652.59115 73927.56673 73614.095 33678.62369 79170.69068 70156.88709 96155.2779 53239.24119 119132.2829 66477.72687 15265.16743 15848.03785 38408.25863 76142.73143 64937.78606 38661.92874 343825.6919 4406.801206 153895.2363 110727.9274 105918.5322 plasmenyl-PE 38:5; [M-H]-@6.78 1515444.033 2369976.496 808070.0186 2025920.897 841153.0619 530041.5875 893782.2041 2131410.22 1421332.819 2610785.858 678503.0697 1573010.932 1394570.841 1472191.975 2013020.795 1128086.047 1120685.244 897967.5496 1239754.32 1565223.62 2402689.347 2134284.996 488264.3092 616329.9736 703902.8582 2113683.596 1694826.9 1049949.962 4220662.544 210976.2325 2458862.681 1951587.575 1877236.659 plasmenyl-PE 40:1; [M-H]-@8.74 15609.92531 21096.45479 8136.01658 16917.90153 9004.036008 4624.363227 11023.24996 14428.01692 18675.84186 4734.646329 8093.066024 18052.78597 13200.31748 13368.06225 13692.91124 4231.239146 11221.45074 17615.78458 23444.99772 10793.04065 20710.8208 8712.085722 6287.35333 2379.963894 5803.294205 3898.844954 17396.78335 10142.57984 26246.58797 1209.47861 11563.32609 21032.89513 9695.034698 plasmenyl-PE 40:2; [M-H]-@8.34 34516.14742 48499.06533 19306.93723 42548.37049 23658.82318 9260.899094 22413.70837 23005.68541 23523.96565 20594.75883 22121.76268 38008.52771 27647.02974 35723.90193 34568.92498 13343.16819 33535.2382 32602.50608 34700.37306 18665.60559 45948.03947 39712.68722 19881.91652 7715.716453 15714.83961 39615.78074 49516.93136 18423.05478 157934.7289 4333.932477 30896.72643 30934.22733 35921.85189 plasmenyl-PE 40:3; [M-H]-@8.05 104317.3862 88734.44972 38969.59105 163013.5021 30296.67777 33071.51114 55480.11267 145810.278 93755.83341 141128.5327 56419.16977 107178.5981 59552.98642 52843.12292 125628.8582 103458.7819 65115.57285 63731.20337 98832.52028 101861.5423 71312.69033 157847.1787 45425.05145 39634.1946 77701.06391 134512.7645 127391.8894 68569.0385 903255.4874 32080.66499 79367.43032 149419.819 107877.5515 plasmenyl-PE 40:4; [M-H]-@7.81 442465.1238 519156.8303 207366.6522 397971.6321 231812.7962 158259.4608 228705.3597 584434.6668 520757.8459 469401.2281 182471.0072 373032.5767 343048.1427 396788.1652 449315.2241 224714.5164 257800.8485 251264.6052 321816.4259 427993.1439 658764.3839 462328.7321 178480.0283 156511.0671 293965.3303 618035.3466 571279.8643 327243.8322 4102237.001 55852.02412 409031.809 620811.8852 463364.5523 plasmenyl-PE 40:5; [M-H]-@7.53 288201.7622 377565.4575 126825.3492 542451.5571 192188.2156 97092.49658 193389.8743 614316.9287 424310.1713 591499.247 118700.4077 313002.3196 215465.7272 269866.4447 396096.8436 320847.0837 165992.5476 194089.8996 296576.1469 298090.2532 343714.3864 556801.9438 114078.3231 140644.4334 151684.7021 600167.5677 346595.7979 334195.5086 1143432.995 48491.07624 677675.019 332425.2935 513607.5582 plasmenyl-PE 42:4; [M-H]-@8.28 86988.67254 65976.60803 52404.22203 45545.49416 57767.42333 46472.76544 42629.27989 129907.6855 107735.5046 45888.98073 47060.26746 88107.47153 75204.10999 95190.86746 54683.5403 38756.07593 61659.40356 24939.62281 66536.88801 107337.6468 109472.4383 67480.68482 56425.82575 29556.57767 85976.33026 77919.49928 100899.7903 48196.98882 137412.3497 32653.57982 74177.74612 136224.1729 67009.99586 plasmenyl-PE 42:5; [M-H]-@7.94 69542.65521 87123.47691 34237.77848 64014.64485 81408.77505 11126.47107 42678.45304 92775.56595 64683.65991 94789.29612 62570.09855 67963.81348 56643.49966 48291.79281 75900.9628 55293.20504 59357.58224 34229.8288 59627.39785 94059.24368 89692.79198 93982.50062 30776.23647 24443.78315 43044.76672 98685.4271 117822.2627 53828.03125 226772.3662 12757.49574 102684.3879 119694.6029 54640.11207 plasmenyl-PE 42:6; [M-H]-@7.81 148701.8092 170802.629 69031.14874 40382.04306 32581.24933 16037.73773 20263.95589 31389.98637 157801.7501 70447.43888 44633.28664 55276.62342 122641.1679 168126.9435 78557.45983 17266.8863 65146.11698 34553.11521 122468.7589 67459.55824 134917.7685 67458.30193 24653.06912 27607.7223 43722.63944 151617.4786 49927.53491 95940.19666 132399.7885 2997.578374 170664.8684 78927.4905 37740.38484 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name moverz_quant ri ri_type pubchem_id inchi_key kegg_id other_id other_id_type CL 70:5; [M-2H](2-)@5.92 5.92 CL(70:5) LipidMaps Bulk ID CL 72:3; [M-2H](2-)@7.51 7.51 CL(72:3) LipidMaps Bulk ID CL 74:1; [M-2H](2-)@7.51 7.51 CL(74:1) LipidMaps Bulk ID CL 74:7; [M-2H](2-)@6.12 6.12 CL(74:7) LipidMaps Bulk ID CL 78:1; [M-2H](2-)@7.97 7.97 CL(78:1) LipidMaps Bulk ID CL 78:9; [M-2H](2-)@6.71 6.71 CL(78:9) LipidMaps Bulk ID CerP 34:1; [M-H]-@5.97 5.97 CerP 34:1 LipidBLAST FFA(16:0) FA(16:0) LipidMaps Bulk ID FFA(18:0) 5281 LMFA01010018 LipidMaps FFA(18:1) FA(18:1) LipidMaps Bulk ID FFA(18:2) FA(18:2) LipidMaps Bulk ID FFA(20:0) 10467 LMFA01010020 LipidMaps FFA(20:1) FA(20:1) LipidMaps Bulk ID FFA(20:2) FA(20:2) LipidMaps Bulk ID FFA(20:4) Arachidonic acid FA(20:4) LipidMaps Bulk ID FFA(22:0) 8215 LMFA01010022 LipidMaps FFA(22:1) FA(22:1) LipidMaps Bulk ID FFA(22:2) FA(22:2) LipidMaps Bulk ID FFA(22:3) FA(22:3) LipidMaps Bulk ID FFA(24:0) 11197 LMFA01010024 LipidMaps FFA(24:1) FA(24:1) LipidMaps Bulk ID FFA(24:2) FA(24:2) LipidMaps Bulk ID FFA(24:3) 52921854 LMFA01030902 LipidMaps PA 33:2; [M-H]-@1.84 1.84 PA(33:2) LipidMaps Bulk ID PC 28:0; [M-Ac-H]-@5.44 5.44 PC(28:0) LipidMaps Bulk ID PC 30:0; [M-Ac-H]-@6.17 6.17 PC(30:0) LipidMaps Bulk ID PC 30:1; [M-Ac-H]-@5.60 5.6 PC(30:1) LipidMaps Bulk ID PC 31:0; [M-Ac-H]-@6.38 6.38 PC(31:0) LipidMaps Bulk ID PC 32:0; [M-Ac-H]-@6.83 6.83 PC(32:0) LipidMaps Bulk ID PC 32:1; [M-Ac-H]-@6.29 6.29 PC(32:1) LipidMaps Bulk ID PC 32:2; [M-Ac-H]-@5.79 5.79 PC(32:2) LipidMaps Bulk ID PC 33:0; [M-Ac-H]-@7.06 7.06 PC(33:0) LipidMaps Bulk ID PC 33:1; [M-Ac-H]-@6.63 6.63 PC(33:1) LipidMaps Bulk ID PC 33:2; [M-Ac-H]-@6.17 6.17 PC(33:2) LipidMaps Bulk ID PC 34:3; [M-Ac-H]-@5.99 5.99 PC(34:3) LipidMaps Bulk ID PC 35:1; [M-Ac-H]-@7.30 7.3 PC(35:1) LipidMaps Bulk ID PC 35:2; [M-Ac-H]-@6.80 6.8 PC(35:2) LipidMaps Bulk ID PC 35:4; [M-Ac-H]-@6.10 6.1 PC(35:4) LipidMaps Bulk ID PC 36:2; [M-Ac-H]-@7.05 7.05 PC(36:2) LipidMaps Bulk ID PC 37:4; [M-Ac-H]-@6.73 6.73 PC(37:4) LipidMaps Bulk ID PC 37:5; [M-Ac-H]-@6.21 6.21 PC(37:5) LipidMaps Bulk ID PC 38:2; [M-Ac-H]-@7.76 7.76 PC(38:2) LipidMaps Bulk ID PC 38:5; [M-Ac-H]-@6.54 6.54 PC(38:5) LipidMaps Bulk ID PC 38:7; [M-Ac-H]-@5.68 5.68 PC(38:7) LipidMaps Bulk ID PC 39:6; [M-Ac-H]-@6.60 6.6 PC(39:6) LipidMaps Bulk ID PC 40:7; [M-Ac-H]-@6.38 6.38 PC(40:7) LipidMaps Bulk ID PC 40:8; [M-Ac-H]-@5.93 5.93 PC(40:8) LipidMaps Bulk ID PC 42:1; [M-Ac-H]-@9.50 9.5 PC(42:1) LipidMaps Bulk ID PE 32:1; [M-H]-@6.26 6.26 PE(32:1) LipidMaps Bulk ID PE 34:0; [M-H]-@6.86 6.86 PE(34:0) LipidMaps Bulk ID PE 34:1; [M-H]-@6.87 6.87 PE(34:1) LipidMaps Bulk ID PE 34:2; [M-H]-@6.41 6.41 PE(34:2) LipidMaps Bulk ID PE 34:3; [M-H]-@6.02 6.02 PE(34:3) LipidMaps Bulk ID PE 34:4; [M-H]-@5.76 5.76 PE(34:4) LipidMaps Bulk ID PE 35:0; [M-H]-@7.66 7.66 PE(35:0) LipidMaps Bulk ID PE 35:1; [M-H]-@7.22 7.22 PE(35:1) LipidMaps Bulk ID PE 35:2; [M-H]-@6.77 6.77 PE(35:2) LipidMaps Bulk ID PE 36:0; [M-H]-@7.94 7.94 PE(36:0) LipidMaps Bulk ID PE 36:1; [M-H]-@7.48 7.48 PE(36:1) LipidMaps Bulk ID PE 36:2; [M-H]-@6.47 6.47 PE(36:2) LipidMaps Bulk ID PE 36:5; [M-H]-@6.02 6.02 PE(36:5) LipidMaps Bulk ID PE 37:4; [M-H]-@6.72 6.72 PE(37:4) LipidMaps Bulk ID PE 38:1; [M-H]-@7.94 7.94 PE(38:1) LipidMaps Bulk ID PE 38:2; [M-H]-@7.53 7.53 PE(38:2) LipidMaps Bulk ID PE 38:3; [M-H]-@7.28 7.28 PE(38:3) LipidMaps Bulk ID PE 38:5; [M-H]-@6.53 6.53 PE(38:5) LipidMaps Bulk ID PE 38:7; [M-H]-@6.04 6.04 PE(38:7) LipidMaps Bulk ID PE 39:6; [M-H]-@6.59 6.59 PE(39:6) LipidMaps Bulk ID PE 40:4; [M-H]-@7.48 7.48 PE(40:4) LipidMaps Bulk ID PE 40:5; [M-H]-@7.26 7.26 PE(40:5) LipidMaps Bulk ID PE 40:8; [M-H]-@6.00 6 PE(40:8) LipidMaps Bulk ID PE 42:1; [M-H]-@9.00 9 PE(42:1) LipidMaps Bulk ID PG 32:0; [M-H]-@5.73 5.73 PG(32:0) LipidMaps Bulk ID PG 32:1; [M-H]-@5.23 5.23 PG(32:1) LipidMaps Bulk ID PG 33:0; [M-H]-@6.03 6.03 PG(33:0) LipidMaps Bulk ID PG 34:1; [M-H]-@5.80 5.8 PG(34:1) LipidMaps Bulk ID PG 34:2; [M-H]-@5.31 5.31 PG(34:2) LipidMaps Bulk ID PG 36:0; [M-H]-@6.87 6.87 PG(36:0) LipidMaps Bulk ID PG 36:1; [M-H]-@6.13 6.13 PG(36:1) LipidMaps Bulk ID PG 36:2; [M-H]-@6.07 6.07 PG(36:2) LipidMaps Bulk ID PG 36:3; [M-H]-@5.28 5.28 PG(36:3) LipidMaps Bulk ID PG 36:4; [M-H]-@4.85 5.39 PG(36:4) LipidMaps Bulk ID PG 36:4; [M-H]-@5.39 5.39 PG(36:4) LipidMaps Bulk ID PG 38:4; [M-H]-@6.03 6.03 PG(38:4) LipidMaps Bulk ID PG 40:5; [M-H]-@6.04 6.04 PG(40:5) LipidMaps Bulk ID PG 40:6; [M-H]-@5.58 5.58 PG(40:6) LipidMaps Bulk ID PG 40:7; [M-H]-@5.10 5.1 PG(40:7) LipidMaps Bulk ID PG 40:8; [M-H]-@4.56 4.56 PG(40:8) LipidMaps Bulk ID PI 34:1; [M-H]-@5.66 5.66 PI(34:1) LipidMaps Bulk ID PI 34:2; [M-H]-@5.21 5.21 PI(34:2) LipidMaps Bulk ID PI 36:2; [M-H]-@5.85 5.85 PI(36:2) LipidMaps Bulk ID PI 36:3; [M-H]-@5.36 5.36 PI(36:3) LipidMaps Bulk ID PI 36:4; [M-H]-@5.20 5.2 PI(36:4) LipidMaps Bulk ID PI 38:3; [M-H]-@6.05 6.05 PI(38:3) LipidMaps Bulk ID PI 38:4; [M-H]-@5.84 5.84 PI(38:4) LipidMaps Bulk ID PI 38:5; [M-H]-@5.32 5.32 PI(38:5) LipidMaps Bulk ID PI 38:6; [M-H]-@5.05 5.05 PI(38:6) LipidMaps Bulk ID PI 40:5; [M-H]-@5.97 5.97 PI(40:5) LipidMaps Bulk ID PI 40:6; [M-H]-@5.76 5.76 PI(40:6) LipidMaps Bulk ID PI 40:8; [M-H]-@4.77 4.77 PI(40:8) LipidMaps Bulk ID PS 34:1; [M-H]-@5.79 5.79 PS(34:1) LipidMaps Bulk ID PS 36:1; [M-H]-@6.67 6.67 PS(36:1) LipidMaps Bulk ID PS 36:2; [M-H]-@5.92 5.92 PS(36:2) LipidMaps Bulk ID PS 36:4; [M-H]-@5.31 5.31 PS(36:4) LipidMaps Bulk ID PS 38:3; [M-H]-@6.19 6.19 PS(38:3) LipidMaps Bulk ID PS 38:4; [M-H]-@5.94 5.94 PS(38:4) LipidMaps Bulk ID PS 38:5; [M-H]-@5.47 5.47 PS(38:5) LipidMaps Bulk ID PS 38:6; [M-H]-@5.19 5.19 PS(38:6) LipidMaps Bulk ID PS 40:6; [M-H]-@5.85 5.85 PS(40:6) LipidMaps Bulk ID lysoPE 16:0; [M-H]-@1.70 1.7 LPE(16:0) LipidMaps Bulk ID lysoPE 18:0; [M-H]-@2.47 2.47 LPE(18:0) LipidMaps Bulk ID lysoPE 18:1; [M-H]-@1.83 1.83 LPE(18:1) LipidMaps Bulk ID lysoPE 18:2; [M-H]-@1.37 1.37 LPE(18:2) LipidMaps Bulk ID lysoPE 20:3; [M-H]-@1.61 1.61 LPE(20:3) LipidMaps Bulk ID lysoPE 20:4; [M-H]-@1.33 1.33 LPE(20:4) LipidMaps Bulk ID lysoPE 22:4; [M-H]-@1.87 1.87 LPE(22:4) LipidMaps Bulk ID lysoPE 22:6; [M-H]-@1.27 1.27 LPE(22:6) LipidMaps Bulk ID plasmenyl-PE 32:0; [M-H]-@7.12 7.12 PE(P-32:0) LipidMaps Bulk ID plasmenyl-PE 34:0; [M-H]-@7.28 7.28 PE(P-34:0) LipidMaps Bulk ID plasmenyl-PE 34:3; [M-H]-@6.40 6.4 PE(P-34:3) LipidMaps Bulk ID plasmenyl-PE 36:3; [M-H]-@6.93 6.93 PE(P-36:3) LipidMaps Bulk ID plasmenyl-PE 36:5; [M-H]-@6.36 6.36 PE(P-36:5) LipidMaps Bulk ID plasmenyl-PE 38:1; [M-H]-@8.31 8.31 PE(P-38:1) LipidMaps Bulk ID plasmenyl-PE 38:2; [M-H]-@7.94 7.94 PE(P-38:2) LipidMaps Bulk ID plasmenyl-PE 38:5; [M-H]-@6.78 6.78 PE(P-38:5) LipidMaps Bulk ID plasmenyl-PE 40:1; [M-H]-@8.74 8.74 PE(P-40:1) LipidMaps Bulk ID plasmenyl-PE 40:2; [M-H]-@8.34 8.34 PE(P-40:2) LipidMaps Bulk ID plasmenyl-PE 40:3; [M-H]-@8.05 8.05 PE(P-40:3) LipidMaps Bulk ID plasmenyl-PE 40:4; [M-H]-@7.81 7.81 PE(P-40:4) LipidMaps Bulk ID plasmenyl-PE 40:5; [M-H]-@7.53 7.53 PE(P-40:5) LipidMaps Bulk ID plasmenyl-PE 42:4; [M-H]-@8.28 8.28 PE(P-42:4) LipidMaps Bulk ID plasmenyl-PE 42:5; [M-H]-@7.94 7.94 plasmenyl-PE 42:5 LipidBLAST plasmenyl-PE 42:6; [M-H]-@7.81 7.81 PE(P-42:6) LipidMaps Bulk ID METABOLITES_END #END