#METABOLOMICS WORKBENCH araskind_20170605_140500 DATATRACK_ID:968 STUDY_ID:ST000685 ANALYSIS_ID:AN001057 PROJECT_ID:PR000484 VERSION 1 CREATED_ON June 30, 2017, 12:05 pm #PROJECT PR:PROJECT_TITLE Molecular genetic study on nonalcoholic fatty liver disease (NAFLD) PR:PROJECT_TYPE MS analysis PR:PROJECT_SUMMARY In this study, we determine the genetic mechanism of action by which variants PR:PROJECT_SUMMARY near GCKR and PPP1R3B exert their effects on promoting NAFLD PR:INSTITUTE University of Michigan PR:DEPARTMENT Internal Medicine PR:LABORATORY Speliotes Lab PR:LAST_NAME Speliotes PR:FIRST_NAME Elizabeth PR:ADDRESS Ann Arbor, MI PR:EMAIL espeliot@umich.edu PR:PHONE 734-647-2964 #STUDY ST:STUDY_TITLE Lipidomics analysis for human liver cell lines ST:STUDY_TYPE MS analysis ST:STUDY_SUMMARY On day 1, seed 1 million cells/dish Huh7_Lok cells (vector, GCKR(WT), ST:STUDY_SUMMARY GCKR(P446L), Non-Target, GCKR KD and PPP1R3B/OE) in 100 mm dishes with DMEM ST:STUDY_SUMMARY complete medium and incubate at 37C for 24 h. On day 2, replace DMEM medium with ST:STUDY_SUMMARY delipidated serum medium for these cells and incubate for another 24 h. On day ST:STUDY_SUMMARY 3, add heated Oleic Acid-Albumin into each dish at final concentration of 200?M ST:STUDY_SUMMARY for 24h. On day 4, collect cells with Trypsin/EDTA lysis and count cells with ST:STUDY_SUMMARY automated cell counter and calculate total cell numbers in each sample, then ST:STUDY_SUMMARY centrifuge cells down and take out the supernatant and keep cells in -80 C ST:STUDY_SUMMARY freezer. 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 6 ST:TOTAL_SUBJECTS 1 #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 SU0017688 S00027752 Construct:Vector SUBJECT_SAMPLE_FACTORS SU0017688 S00027753 Construct:Vector SUBJECT_SAMPLE_FACTORS SU0017688 S00027754 Construct:Vector SUBJECT_SAMPLE_FACTORS SU0017688 S00027755 Construct:GCKR(WT) SUBJECT_SAMPLE_FACTORS SU0017688 S00027756 Construct:GCKR(WT) SUBJECT_SAMPLE_FACTORS SU0017688 S00027757 Construct:GCKR(WT) SUBJECT_SAMPLE_FACTORS SU0017688 S00027758 Construct:GCKR(P446L) SUBJECT_SAMPLE_FACTORS SU0017688 S00027759 Construct:GCKR(P446L) SUBJECT_SAMPLE_FACTORS SU0017688 S00027760 Construct:GCKR(P446L) SUBJECT_SAMPLE_FACTORS SU0017688 S00027761 Construct:PPP1R3B SUBJECT_SAMPLE_FACTORS SU0017688 S00027762 Construct:PPP1R3B SUBJECT_SAMPLE_FACTORS SU0017688 S00027763 Construct:NT SUBJECT_SAMPLE_FACTORS SU0017688 S00027764 Construct:NT SUBJECT_SAMPLE_FACTORS SU0017688 S00027765 Construct:NT SUBJECT_SAMPLE_FACTORS SU0017688 S00027766 Construct:GCKR_52621 SUBJECT_SAMPLE_FACTORS SU0017688 S00027767 Construct:GCKR_52621 SUBJECT_SAMPLE_FACTORS SU0017688 S00027768 Construct:GCKR_52621 #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 POSITIVE #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS peak area normalized MS_METABOLITE_DATA_START Samples S00027752 S00027753 S00027754 S00027755 S00027756 S00027757 S00027758 S00027759 S00027760 S00027761 S00027762 S00027763 S00027764 S00027765 S00027766 S00027767 S00027768 Factors Construct:Vector Construct:Vector Construct:Vector Construct:GCKR(WT) Construct:GCKR(WT) Construct:GCKR(WT) Construct:GCKR(P446L) Construct:GCKR(P446L) Construct:GCKR(P446L) Construct:PPP1R3B Construct:PPP1R3B Construct:NT Construct:NT Construct:NT Construct:GCKR_52621 Construct:GCKR_52621 Construct:GCKR_52621 CE(18:1); [M+NH4]+@10.97 39573.37286 49505.64446 49282.53444 127341.608 74500.13338 60370.35676 52158.07723 55961.81699 30751.22011 33218.69579 54931.67357 35851.56457 46458.59195 23501.59612 14563.8603 34484.72681 14816.12085 CE(18:2); [M+NH4]+@10.72 4055.985096 8575.800019 5831.682733 351524.4334 14220.66872 12231.21633 1291.659197 4481.173825 4216.751182 2988.072676 8273.214053 4772.613442 4061.357364 1394.447973 2001.128319 3399.879789 2929.378389 CE(20:2); [M+NH4]+@11.02 8574.42393 14756.87294 9555.313771 10079.40464 7087.180698 11651.17645 6879.276947 6674.505145 1768.066128 8031.852056 18832.85699 4150.951384 9883.545113 2485.793328 3752.543354 6839.32474 1006.599982 CE(22:6); [M+NH4]+@10.51 6249.586243 9603.92138 13104.50865 16675.81111 39030.84752 27712.68971 3215.427466 5082.238476 5576.281243 10725.36581 20033.74778 22386.20642 19440.63609 11500.31238 10404.83192 12513.01556 13310.71418 CE(24:1); [M+NH4]+@12.03 2880.792334 6585.32639 3380.242797 2400.545002 2415.111336 3570.551643 1953.022752 1720.440469 1514.728246 1859.870476 3633.690344 843.4714562 701.4751484 184.120885 634.0818291 1363.866895 485.7853608 DG 30:0; [M+NH4]+@7.37 12011.5471 16532.70098 19137.65595 3961.361128 19256.89281 16045.02642 6968.053928 7108.469096 5797.081626 4220.583671 9362.810873 6643.010227 6376.067928 3160.394997 6775.964734 3818.483612 6436.64376 DG 30:1; [M+NH4]+@6.93 30570.234 43699.47698 48522.63874 15573.53206 23575.17318 12393.07225 18982.92744 18219.72104 12594.44089 11262.73643 6296.654141 3380.959227 13997.74725 2727.003872 1380.706449 4980.080581 1690.589723 DG 31:0; [M+NH4]+@7.57 5448.863313 7236.240756 6605.635868 4270.811207 10600.09976 8431.946499 5813.263366 8777.765184 9714.876461 4034.011964 15393.43139 6594.730806 20250.02153 2285.77618 1460.835062 3504.647123 3248.731141 DG 32:0; [M+NH4]+@7.93 57876.27473 93426.05081 76303.74729 42671.33244 56801.78689 39765.94127 30314.62228 31447.43145 37260.24432 28549.94845 31407.7012 18490.45019 23604.65765 8107.555015 10900.37908 34240.3273 25071.69776 DG 32:1; [M+NH4]+@7.48 80371.91118 85724.81076 50407.00589 144430.19 175359.8524 157132.8783 42601.03386 81283.09012 40812.93885 44318.39301 91017.4805 122368.965 153722.0439 74579.50745 41348.15892 38486.66685 78988.27443 DG 32:2; [M+NH4]+@7.05 90961.50189 257223.496 160575.0537 65436.98405 60356.13963 53294.39143 92983.10793 64987.30549 32411.05413 41853.94663 32066.40824 9422.369748 5468.711619 3430.672676 3652.86149 9122.15338 5241.863049 DG 33:0; [M+NH4]+@8.08 4979.052946 5024.981924 2513.69327 14180.86094 9407.879938 8047.823747 2949.522726 9632.288223 2795.33925 3339.690973 7430.61403 3505.430305 13963.01023 4326.313591 4448.57095 1535.179351 4675.105544 DG 33:1; [M+NH4]+@7.70 38341.42555 37054.5961 43981.15158 16030.17106 20461.92719 43432.92066 24888.28052 23959.52914 21667.39162 20062.20447 36464.10172 14773.90416 23562.94667 9024.357898 3850.592395 4271.986702 2550.820003 DG 33:2; [M+NH4]+@7.32 7763.934967 10696.66682 12558.923 6610.490807 13635.13616 10819.46054 6566.635866 7823.392425 4320.909798 3954.016862 3844.517711 3385.663339 3121.090504 3687.343443 3621.852733 2378.956779 1497.439477 DG 34:0; [M+NH4]+@8.42 26549.98952 43696.97055 35396.44605 18963.05191 23059.32276 25427.0276 10496.89413 13017.94354 9650.585056 11549.66689 212.9908866 8108.944526 15706.52235 6440.763241 12723.04227 22894.85682 13901.26027 DG 34:2; [M+NH4]+@7.58 577888.9462 545941.0683 587109.8769 259023.6703 614287.4905 584669.3325 346911.4712 410568.1442 291432.5724 315214.0514 492696.5853 267879.7513 340546.9069 142423.2841 84080.44231 143792.1445 114795.6361 DG 34:3; [M+NH4]+@7.22 51476.26479 97796.05369 90885.6745 49393.26669 58822.17981 69001.74661 62505.28825 65590.60042 37933.34934 46319.83796 71714.51729 32357.22771 38642.7558 12185.86583 8644.120101 23402.21802 10223.41848 DG 35:1; [M+NH4]+@8.15 17404.31355 16511.68293 10176.14104 47487.14641 41149.68038 35143.14551 19311.92898 25823.20196 20027.42485 19248.45271 51135.72657 63818.60995 46545.58006 27733.40394 12602.36503 4018.981342 15186.83636 DG 35:2; [M+NH4]+@7.86 31505.55139 43883.96859 30773.7665 14504.00441 31823.26926 41028.3346 32037.70078 29418.34363 18970.07774 27507.65042 47703.72084 42792.06322 49223.60431 12898.49988 4837.444499 8421.209515 3222.831316 DG 35:3; [M+NH4]+@7.53 11172.68171 21807.56999 21625.63804 4918.202597 6010.455247 6482.511075 8683.38815 12715.12486 5599.691469 6849.493533 5396.458076 3774.013127 2839.629721 2147.182686 546.8092281 1540.750956 1190.405963 DG 36:1; [M+NH4]+@8.50 63331.71609 86128.43563 40392.95774 132768.299 154729.4345 148384.2996 51187.69615 67127.49221 66518.28041 54869.77576 128626.0739 127337.5142 164884.8579 74812.20243 62892.9591 64868.72602 140552.1183 DG 36:2; [M+NH4]+@8.14 1406304.079 1477762.466 1668987.647 1293328.849 2855220.95 2782102.21 1497335.041 2000507.263 1338879.742 1507287.048 1828285.881 2756495.007 3066440.775 1211924.478 382700.548 688083.338 498921.5897 DG 36:3; [M+NH4]+@7.74 232820.7463 334963.7825 333006.2515 177999.9008 305653.7583 259942.6803 179152.3024 205426.8622 166800.5355 164097.4298 242522.2737 183134.9122 185211.694 77332.20652 39430.31142 100329.6739 56835.17004 DG 36:4; [M+NH4]+@7.48 59674.44527 168545.7867 153565.6594 97733.2347 46858.87107 33048.95372 55648.07479 41127.64515 22370.77451 42649.42942 31011.15522 22995.78404 23532.09507 9776.646941 5968.721378 17889.8866 9318.778898 DG 38:1; [M+NH4]+@8.91 15250.9649 12321.13108 14593.98105 7299.494866 11369.37102 12456.55211 6072.447116 5534.508584 8669.076609 6951.852394 8457.991793 12216.52294 22368.1859 3718.708844 3116.314463 9279.811283 4844.296501 DG 38:2; [M+NH4]+@8.51 63052.321 79587.2811 43598.17229 160925.6867 222072.1848 255098.4019 49991.896 87144.23147 77666.85427 83357.73258 209568.3056 315614.4262 370841.4685 152125.3864 67163.408 65030.62306 118669.6436 DG 38:3; [M+NH4]+@8.22 243021.5972 974378.9502 749808.0479 292873.6701 551002.42 392488.9316 434043.898 365572.5331 250363.5884 664858.8218 417340.0159 328986.4076 330629.9595 144056.8184 50854.0269 191501.3561 61779.8135 DG 38:4; [M+NH4]+@7.94 205245.0392 235353.8772 312262.4382 133457.9108 344278.4086 295454.6945 177030.1324 194783.3983 167535.5897 210438.9845 278848.2071 310854.3197 290403.6341 147427.3947 42432.10006 105330.8114 63206.15513 DG 38:5; [M+NH4]+@7.65 47980.47302 61835.23345 47479.81235 46323.77237 54249.80484 60249.69361 36768.62734 48350.47117 31141.32434 28855.8115 42824.16016 72175.52287 65228.34094 38289.5917 17221.11279 32337.92542 23760.19777 DG 38:6; [M+NH4]+@7.31 7074.471098 6025.776174 3654.860534 24250.67424 8004.483001 14480.66458 4272.667956 5800.578591 3939.544381 3717.766761 12155.40056 27422.34399 23908.50861 15092.76359 5786.006729 6925.163911 15503.21503 DG 38:7; [M+NH4]+@7.06 6675.323917 4125.52922 2045.562605 6916.341697 14799.66313 12635.85097 3544.453577 2987.76477 2882.062103 2696.893773 2552.704018 12426.50954 17146.38568 1607.023282 2758.869687 4314.122309 4889.768492 DG 40:2; [M+NH4]+@8.95 11330.93971 7058.420795 7055.611201 30558.68692 25399.66947 21656.56538 9144.558484 7881.97564 8621.658002 9653.090411 33549.26685 54208.31418 41757.51907 29530.38467 7793.619802 10305.8719 22529.77216 DG 40:3; [M+NH4]+@8.65 22452.87384 33832.25539 35645.28594 18773.50133 39876.12583 45776.49752 14485.98418 16887.97683 13470.80089 23479.2383 42091.37508 26873.86235 29139.6214 12983.44057 9242.052081 16315.83457 3998.515451 DG 40:4; [M+NH4]+@8.41 73041.38138 166197.6244 118452.8324 30768.67244 93872.76646 97864.85824 53300.75523 58094.90365 38365.2937 89360.3205 85427.44813 89840.53132 90912.73757 32470.56098 15519.30848 40485.08684 17941.7771 DG 40:5; [M+NH4]+@8.12 11434.37935 17043.08552 10024.85257 40525.12998 46597.54967 51030.6926 13365.91954 15280.87831 12095.14061 15026.41653 25729.42643 93754.69763 78650.57768 46485.56012 14923.154 16777.80931 30714.14909 DG 40:6; [M+NH4]+@7.82 22881.42749 26801.26078 23770.24434 12034.74017 44120.49004 29060.32434 13146.67534 16352.07306 10941.06122 16579.77426 20713.45222 30262.31329 44964.83623 17535.53359 8524.125878 15063.40098 11095.70032 DG 40:7; [M+NH4]+@7.57 35513.03646 39482.27887 33965.77916 23067.07659 85511.47891 53500.48837 35140.41446 37573.6356 23002.34845 27237.00037 40216.40642 83398.32373 86182.80475 30646.61356 16375.19978 36501.78136 17562.44994 DG 40:8; [M+NH4]+@7.17 1009.036816 1917.350506 1240.039213 4176.026252 1640.004869 2579.700472 1447.607348 3847.857861 195.3538137 1678.64126 4227.589856 6321.689385 5489.742171 5274.392944 708.2560732 1527.446704 3940.407392 DG 42:1; [M+NH4]+@9.63 4101.579535 7425.802056 5904.559851 1659.855655 3864.963141 3121.960581 2127.880846 2106.303391 1772.409761 750.9949571 2048.101793 1002.432865 2834.698985 1323.552669 643.0346653 1439.636011 354.4783345 DG 42:5; [M+NH4]+@8.52 9200.540768 9879.625467 7089.853365 18880.22332 33711.224 35693.02766 4724.389001 8372.925151 6975.037397 11239.34774 17837.92223 39292.79605 32099.22472 21345.8761 7787.400736 7833.613518 13562.99196 MG 17:0; [M+Li]+@3.17 42049.72007 31893.04509 34431.07139 86346.73613 102210.7077 85137.12646 33446.82468 39092.90968 33911.78279 28519.47824 60521.22713 64042.3264 85126.21788 47317.60989 29645.08136 30851.09437 47428.68655 MG 18:0; [M+NH4]+@3.73 1327.433411 2166.586617 1910.177892 3431.910628 7014.604877 3487.065434 1561.833767 1933.084306 1557.8457 2481.21399 3330.227079 2666.507837 3542.830733 3691.791521 1135.122636 2244.657762 2421.120061 PC 30:3; [M+H]+@5.29 51011.29442 121066.8248 98971.14839 47997.53657 62771.26485 71352.87443 79753.82553 55691.19496 37766.53034 45047.93773 51897.09249 8615.734229 15617.6422 5810.332637 2898.135059 18273.76996 4416.480125 PC 31:3; [M+H]+@5.55 14587.85204 15141.81291 17517.48002 11930.99826 29162.51713 19574.38619 8880.198392 13321.60426 11688.42944 6004.997652 26603.45923 11779.2612 20756.39931 9261.174059 2593.705661 4553.755712 4339.111743 PC 32:0; [M+H]+@6.64 4726134.532 5947677.839 4883000.222 5571297.37 9033058.481 8488057.634 5690791.998 6013959.007 4325628.685 3550664.372 7377261.617 1910064.272 3392749.318 1516268.201 1842550.418 4644527.102 2646191.408 PC 32:5; [M+H]+@5.13 48444.11119 39699.26135 38796.04828 20038.00299 58671.47068 57078.44497 44498.68451 29318.74276 24399.82751 40436.79326 67132.99712 7929.918522 13560.14092 5303.259973 4077.793817 17811.13791 6227.946417 PC 33:3; [M+Na]+@5.64 8991.698833 2151.615177 4133.976337 23253.44391 36225.68025 33697.45263 7364.419488 12863.77637 12270.54477 6598.672376 27206.16447 16221.02634 32330.98799 12780.25192 2141.017922 8719.698704 18370.13687 PC 34:4; [M+H]+@5.39 331870.5432 488359.3592 403382.301 438478.7322 394415.1473 370501.0668 221447.2817 178674.931 155975.0092 217532.8279 317911.7026 71293.89064 115159.6158 56200.43367 55646.00261 195702.389 66653.62686 PC 35:5; [M+H]+@6.09 21193.72409 11682.25239 9417.950111 89247.73642 112797.0999 138334.6251 18555.39823 38657.09384 41844.0282 20244.59565 128050.0929 87181.29208 151773.4171 81136.96684 63517.29839 34554.54125 67459.72318 PC 36:2; [M+H]+@6.84 23584494.54 21431933.57 22211902.87 40413988.96 81798891.54 64720511.92 23840900.7 38455108.76 32154379.35 27896819.66 60460687.91 50499045.06 72170655.36 33341163.57 12381489.62 24271664.26 16649734.62 PC 36:4; [M+H]+@5.96 2560178.796 5332066.433 5661244.61 14783078.66 4216290.129 2933900.635 2772264.744 2746247.148 2503460.847 3182081.491 3376944.607 20113.81221 1496061.713 678474.8833 830095.3165 2918279.673 1195919.692 PC 36:6; [M+Na]+@5.46 17630.62121 25061.77081 30595.23066 25385.8459 25245.52391 27717.18655 27915.27167 21956.27763 13079.40529 21537.50833 22123.72214 6414.785369 9847.49186 4465.012355 4034.395343 18198.84108 7024.548588 PC 36:7; [M+H]+@5.52 28685.56295 22485.08862 26330.96443 55780.73364 92184.24596 61836.57146 26831.77646 39565.26323 35070.42103 17978.20495 73656.18869 24979.60343 53885.74596 18478.68104 17467.96141 35596.26044 26060.89455 PC 37:5; [M+Na]+@6.10 6800.944225 7594.073307 7664.965578 8163.357103 6870.957268 20354.12021 3150.444206 7747.269744 5709.715807 5004.619686 8287.073728 5127.066802 4029.724827 7087.651007 11890.55083 10064.90704 8980.028306 PC 38:3; [M+Na]+@7.13 109369.2751 124179.8401 85112.26554 197333.1659 385486.1851 212686.5816 97226.67852 115668.6055 116716.5844 91962.65374 238885.6235 127213.3589 274077.3468 74432.37084 118690.4232 151664.3307 168049.952 PC 38:9; [M+H]+@5.44 9221.106367 5113.506854 3738.389901 38729.07076 32825.85028 31965.88339 7218.85355 12217.05522 8290.68245 8558.228894 22761.50648 18697.21612 32517.62815 23012.04937 16554.04307 16521.47642 34882.0227 PC 40:10; [M+H]+@5.59 16650.71251 14506.61168 13843.93646 37705.54129 84052.54895 54789.98659 21061.28578 43765.47262 29812.15518 20685.291 84422.94542 50976.75661 72759.33152 25927.69274 38353.37387 51077.06554 40402.8587 PC 40:5; [M+H]+@7.64 57396.80303 64802.00846 73000.09377 75537.13197 282819.5678 188615.0154 60999.94169 132980.0779 106471.3065 83881.74659 181755.6991 136683.4287 203649.1901 90576.65696 67733.84709 98638.35819 98584.62492 PC 40:7; [M+Na]+@6.32 4718.219671 3747.860273 6898.722498 6891.023103 47447.8087 12143.59936 2675.586797 9827.591494 5811.029694 5490.033049 24780.12767 37126.39683 62380.91065 33095.01876 34906.24639 11532.33304 36214.6907 PC 40:8; [M+H]+@6.39 18554.06434 17634.98697 14438.97431 35819.56522 88871.02518 62669.33973 23749.57226 44293.22411 46733.04245 12846.39909 94575.93568 114679.6495 219756.1518 73153.28553 97223.49337 63924.9358 139349.4184 PC 40:9; [M+H]+@6.07 16275.38014 11640.6805 11150.60942 71806.39397 84585.96332 51685.8158 21656.61692 38276.86359 35048.02342 14714.12622 47830.95149 46805.03964 85404.74989 43757.44512 59225.37417 53642.72533 73211.9233 PC 42:10; [M+H]+@6.30 3454.090127 8626.913256 7997.375309 16060.19045 31356.07634 10008.96196 6188.403071 16243.8019 5205.081286 5082.757463 16260.63894 20701.25158 25216.14826 12436.49135 12647.50349 9505.598869 17043.91631 PC 42:11; [M+H]+@5.85 3278.226455 2311.886862 1991.920099 7512.419448 13698.9388 5719.635284 1730.136051 2813.633001 7609.4722 1793.926568 8605.721801 7874.814996 22150.46658 7993.563478 13740.71357 6197.232067 15307.0293 PC 44:12; [M+Na]+@5.66 398.3930304 275.0094576 368.7608336 1630.089021 4334.05707 1982.257145 412.0430873 2701.548634 1661.603385 763.0179793 3079.414947 3855.66092 5607.242092 2192.634309 3655.719064 8545.974472 4473.051187 PE 30:1; [M+H]+@5.58 12282.12403 21893.66101 20346.65424 11135.529 6716.812577 9716.024047 5887.448118 5704.075964 4014.048076 6792.003289 6398.470774 1620.718576 3127.035857 674.5822777 1023.905678 2614.228018 341.9309627 PE 32:2; [M+H]+@5.78 65530.30306 69862.66299 69909.10459 37910.07646 57640.17353 58519.91999 32278.75537 36315.545 22846.23109 26499.07049 32144.59788 7064.761288 9595.117033 3297.113945 4403.72858 10192.8977 5181.159265 PE 34:1; [M+H]+@6.88 438312.5504 848090.6054 793494.2465 563317.2945 652382.4988 593329.568 506475.9713 540672.4598 354350.9395 318039.4893 432375.5939 257235.2639 312817.5899 133638.7625 57950.6057 156698.0397 71438.25854 PE 34:2; [M+H]+@6.39 785656.8094 1889343.496 1758071.33 755232.7571 921993.4576 836133.9946 949412.4706 794209.0133 504328.9414 566495.9954 752082.2494 179391.856 245788.8716 96199.50622 50406.67868 211297.7046 62863.34848 PE 36:3; [M+H]+@6.63 845953.7284 852749.8269 850337.3482 680598.4545 1315730.189 1101857.975 658783.0276 681270.2403 534866.9587 486743.2485 918298.7 269857.3409 464815.4885 214523.9619 185067.1648 389348.2493 178213.7685 PE 36:4; [M+H]+@6.41 906494.4636 1173793.621 1141189.652 700076.7825 1222184.284 1069577.988 624244.5709 651662.9235 464345.551 487574.0162 747546.2961 313671.4675 472988.6807 175300.1662 167980.7332 488255.9 226718.9005 PE 37:4; [M+H]+@6.67 129735.0467 112099.1533 136174.6394 85186.57788 188758.9549 193857.1869 113894.4251 146292.5483 93251.83535 84517.93773 185066.7608 83054.87061 121104.7923 36980.57973 44527.96731 57140.95264 38939.54311 PE 38:4; [M+H]+@6.91 5163984.616 10746808.79 9876070.757 3660678.654 3970190.777 4136133.893 5336502.923 4077357.162 2710113.522 3617260.133 3779371.239 1028151.956 1305551.727 584275.7157 510284.0389 2441799.605 578266.9363 PE 38:5; [M+H]+@6.50 2404820.844 2879316.626 2929283.159 2207481.597 4907467.124 4734490.895 3589181.076 3343180.627 2550301.117 2115170.236 3070996.07 1744212.918 2684204.398 1292254.567 989746.5222 2726260.447 1005248.425 PE 38:7; [M+H]+@5.68 53801.45107 103040.1282 120826.1334 50724.39739 79112.50026 65223.89554 82101.4066 63209.34983 53387.70936 64387.35493 59471.48573 14266.22612 25439.78248 12636.39696 5557.427501 31641.75702 8207.533598 PE 39:6; [M+H]+@6.55 28694.42087 52438.12924 72862.8511 27275.1465 38519.42357 43791.10659 48318.32395 39717.67007 41778.47941 40872.15748 39305.26135 28653.16478 27667.41623 13394.19 4999.217284 19796.49514 7294.573813 PE 40:5; [M+H]+@7.21 281145.823 326533.58 297743.158 235453.5178 423057.883 313928.4644 204617.1641 180393.5309 150063.0586 231380.6774 277963.7638 243105.3843 419366.3287 118115.9901 78504.56298 160160.2528 69605.87961 PE 40:7; [M+H]+@6.42 514207.0024 526805.7926 555031.1654 515504.7732 1252675.055 1115178.293 743262.977 759625.1419 607361.5626 468411.8769 850489.6884 653039.5733 889757.1246 427116.8723 340716.0176 690340.7534 352752.223 PE 42:6; [M+H]+@7.18 45072.96413 61362.19204 45273.73544 33943.86866 39138.07207 48229.17663 31035.29481 23065.71265 25502.55554 31830.12222 47039.75119 20695.89678 23856.80911 10563.13681 12411.37757 20056.75162 9575.64036 PE 42:8; [M+H]+@6.61 41057.16144 32782.2963 38875.628 36928.92035 85833.21447 48533.72972 21856.11183 32399.23631 14195.47318 21998.02288 79582.71853 32894.7808 42161.59508 18294.148 9407.16322 29584.63802 8521.722993 SM 30:0; [M]+@4.70 5201.853692 10107.87846 8736.581585 12197.92164 6820.463861 8850.38781 6882.494279 6527.572666 5159.116414 4640.792045 5913.702705 2472.479635 4835.663297 1145.643136 5428.91195 2007.145343 843.9808658 SM 30:1; [M]+@4.40 5250.9665 6794.155105 7255.033556 34256.07862 7076.085141 6136.942638 4785.041021 6339.287612 4059.833004 3151.266942 6169.055143 4188.727 3553.556367 2967.268702 971.5017747 1799.733713 1486.263329 SM 31:0; [M]+@5.08 3925.212723 5146.203898 5039.332347 3806.591228 4640.317539 5929.542255 5846.985128 5290.410046 2981.094364 3583.189789 5844.602933 2310.161427 4115.963209 2210.788229 547.9710819 1097.2957 749.7468858 SM 31:1; [M]+@4.80 5891.917296 11700.91355 8806.526748 31138.49205 6751.260448 6356.658118 6667.689552 4883.351861 4318.150487 5990.559034 9086.297716 4508.224068 7965.686727 2172.603098 890.9082127 2400.317403 1355.536359 SM 32:0; [M+Na]+@5.44 96696.02786 164025.0868 153207.3452 112855.23 412156.5018 283210.0433 152854.7165 247148.7824 214822.3793 175107.3363 263775.7815 142561.9171 159807.1902 93527.53563 20045.28143 116730.4894 40788.34411 SM 32:1; [M]+@4.96 529889.0623 1410578.089 1421619.89 1826548.534 303234.0422 306081.3768 641966.8784 360692.1077 221870.6284 336182.4041 315502.9957 94587.95688 127097.3758 52050.1229 18053.96962 92634.71098 31191.89477 SM 32:2; [M+Na]+@4.53 2127.852056 2115.679198 1636.654585 33356.21983 3604.303375 2278.636043 612.7867853 478.0752955 2310.208354 774.5991741 1188.579012 3252.726764 1389.045853 380.4798672 294.7936097 633.2584177 2180.563649 SM 33:0; [M+Na]+@5.80 7290.249347 5304.009756 4666.595017 23400.25023 81017.12174 42528.87225 5592.931387 34624.47513 26998.30939 14267.75723 60371.02269 77814.33597 138168.2699 50447.91535 10587.73934 9518.768779 21574.09103 SM 33:1; [M+Na]+@5.50 107333.6418 167460.0166 146491.0245 225885.2765 200405.3411 158661.8488 144497.6005 211794.3401 129692.3401 95059.55835 215087.7117 130066.5757 113884.8239 57166.40606 15334.45092 60328.15638 25265.5512 SM 33:2; [M+Na]+@5.02 3344.801445 4392.276316 5549.77794 14647.17107 4675.388916 1901.425002 2233.093841 1768.775894 985.5065738 1913.654572 2717.722859 1341.455912 2101.130909 966.8089202 172.8372772 1090.621628 839.9391677 SM 34:0; [M]+@6.10 1968260.744 2428838.695 2423066.389 2689536.018 5030346.542 4106524.176 2201775.313 2103282.228 1591848.287 1978918.112 3497115.848 1343307.626 2114292.604 922703.2267 931249.0799 1894824.383 1240675.468 SM 34:1; [M]+@5.85 6170953.55 7285448.195 7541266.436 12434959.26 9569581.069 9169869.104 5173471.075 5101534.882 4153673.203 4474747.138 7483148.859 3423841.64 4515475.676 2291943.52 1408449.855 3885230.647 2213283.661 SM 34:2; [M]+@5.50 377654.9528 598435.2469 631331.6925 2420101.214 210337.3622 216658.3903 215665.4594 135541.6723 102738.0775 155472.9191 187962.9054 99675.57134 133625.8254 51233.61349 32161.2851 107598.3225 54977.41362 SM 35:2; [M]+@5.64 17829.74674 56430.07332 38488.03924 115521.9964 22444.3055 19781.21558 31671.3235 13997.57273 14378.11891 18404.91401 16963.30813 12239.17287 11667.77367 7022.949237 1260.946357 5123.141215 2306.687351 SM 36:1; [M]+@6.54 356042.6752 409940.6854 408748.145 1646989.887 501585.2481 377981.0737 269466.4203 208505.8057 201356.0102 141446.0077 310005.8851 157451.6063 353576.8083 108737.8543 67061.38663 330264.3109 103516.9914 SM 36:2; [M]+@6.03 122073.5332 280227.0317 279459.9049 1620141.711 199039.1258 175297.1831 191534.641 171558.8235 99144.60416 132242.0824 173957.64 183329.6177 199347.8377 91066.64427 26869.1858 110162.4629 56969.10909 SM 37:1; [M]+@6.87 19059.18763 16891.34894 24852.36735 84078.30622 36539.97201 36553.11002 16324.49604 21354.85812 16308.95566 4876.530284 34160.67683 23067.15162 32055.78837 19873.6457 7405.277647 10978.62098 11304.70656 SM 38:1; [M]+@7.19 118919.5823 321123.6354 246479.401 1127433.423 61336.06226 81465.3095 90071.91271 97758.86402 51989.13434 105092.3387 87964.76897 31620.83807 24412.25061 24080.78739 11512.28487 50796.47293 11552.17588 SM 38:2; [M]+@6.52 14633.03628 18191.72691 18241.92567 196833.8117 27280.4509 31332.21441 22074.69253 13318.59326 14233.94154 16810.19761 26746.96086 25668.9438 35817.08462 12005.96403 5600.659734 19434.58615 7764.495054 SM 40:0; [M+Na]+@8.02 20234.43091 45662.4827 29571.12768 51668.41377 45905.07262 28212.42554 18998.63638 23743.27648 16385.98151 16715.99147 20154.75052 9083.642428 14835.88639 9436.15818 2844.41451 16412.60498 9403.411348 SM 40:1; [M]+@7.59 142610.7948 216929.2067 234660.4016 1382575.114 239773.6962 235958.4595 145653.826 136394.9896 94635.79933 123278.3276 173718.3809 78505.62001 143067.6124 37640.03547 49618.67826 100576.4676 93659.50689 SM 40:2; [M]+@7.30 133236.2291 151912.1585 164877.882 1283558.762 161303.4182 149399.1605 146269.9387 125151.9395 91664.00024 93323.27367 162903.1581 64435.35761 84100.27456 47261.53489 31323.48279 63913.26013 38232.25673 SM 41:0; [M]+@8.33 21592.69906 33463.1598 25977.03764 80808.97251 12163.1326 33216.37524 27836.10889 18944.45025 8486.983554 13898.07716 21357.33386 13879.58442 10862.20608 8059.66013 4325.714247 9534.06241 1015.829027 SM 41:1; [M]+@8.11 116513.4145 225506.257 174518.9446 950660.6976 144795.5948 109872.5967 112504.1322 93047.85947 50578.94079 84443.50628 131247.0452 51136.40329 50552.74072 24244.16612 23074.02138 66235.0306 21329.60117 SM 41:2; [M]+@7.59 120372.0086 197272.0934 178653.3024 721818.1523 102141.3221 85939.11553 118796.3805 82176.9204 53606.49335 77458.84441 112383.575 56357.89272 62867.24008 22496.40031 17158.43461 29545.1316 23185.97447 SM 42:0; [M+Na]+@8.56 21956.21547 40453.60881 33958.57392 59724.55524 37043.54136 33043.07626 18973.62277 27099.2885 18620.70709 17081.06913 32858.09214 4871.494868 9178.732866 4377.982774 7298.59394 24672.17868 11215.09845 SM 42:1; [M]+@8.14 388837.7417 625385.7163 569389.9403 1617025.977 845107.1046 772557.9444 582998.7484 444184.1196 279071.5199 359141.5128 407025.3326 190454.8456 213254.9936 102057.2248 161298.4612 500837.5563 220543.9418 SM 42:2; [M]+@7.83 951077.7049 2653947.946 2764193.683 3167991.914 1775053.968 1318150.071 1580699.933 1174465.801 1021845.077 1676853.246 1214366.798 604915.7305 679175.8387 311507.0106 214519.9801 841557.2549 332467.0453 SM 43:0; [M]+@8.74 6046.267818 10182.29894 11857.10037 11857.92623 8064.585186 7409.833013 6214.267287 3569.56111 3482.231356 4214.55249 5177.620091 1119.352573 3621.412659 2022.955756 1230.133272 2750.929225 1685.308894 SM 43:1; [M+Na]+@8.60 10360.64089 18324.64171 28081.64098 46190.00326 27034.55185 15156.53788 16365.18059 16555.60404 7648.2835 8738.034406 9094.336577 7734.474763 13539.6459 9619.365827 4806.154832 19158.96466 3309.171284 SM 43:2; [M]+@8.20 92663.68221 166178.9796 159280.3298 170876.4383 117455.8621 108144.3514 134288.8618 110312.2031 71043.01513 81398.5443 97860.85788 44281.62988 38875.12826 21390.85114 13553.32591 52568.02738 11518.07779 SM 44:1; [M]+@8.75 6667.627783 8354.530025 4584.564783 45324.40506 18593.72434 39164.41793 10717.4118 11032.34351 8542.632013 11826.27002 26182.49172 19348.06679 13188.03325 9201.705271 16864.79962 15152.43346 49024.8815 SM 44:2; [M]+@8.32 31994.38396 78046.13498 91505.60603 113790.4137 79515.93623 87132.50759 99334.56218 51210.25649 54203.56353 18597.32176 47361.49867 12148.97427 46458.51266 19612.26826 16191.35619 69600.06511 27684.0307 TG 40:0; [M+NH4]+@9.48 1974.575102 3231.301582 4980.585777 84092.22732 4178.766434 6339.601202 2796.845628 3181.026119 2752.154112 1692.554797 4946.298091 4150.199479 8120.138687 2124.525003 4548.090026 4260.809091 2475.29225 TG 42:0; [M+NH4]+@9.78 17473.27652 12036.46898 11809.80391 94330.20206 13449.97608 15818.42645 11345.92985 19913.66065 14457.72208 5148.813722 16626.31123 10352.05927 10092.11687 3281.898779 7400.319905 6991.058624 5664.812626 TG 42:1; [M+NH4]+@9.53 18773.15101 36416.40809 29164.1362 122556.0806 23407.00141 14596.56475 20747.58252 25390.66016 18570.48585 12297.50162 7703.263863 3942.800935 9842.985736 2192.299345 1270.113998 3863.690537 2649.803304 TG 44:1; [M+NH4]+@9.80 113191.4227 118396.816 132222.0033 205149.1308 129621.8521 98895.98076 83353.98765 103931.8059 87717.50913 50086.7627 83779.78995 29470.71734 39032.09642 16177.46561 12802.71622 21952.60074 17255.76026 TG 44:2; [M+NH4]+@9.59 68615.58723 81356.85877 78297.94689 188260.6401 72176.56189 59652.31415 60657.65721 54223.42508 45938.41616 28220.60898 44907.23866 12475.54403 20607.23802 9633.782743 5129.513335 12662.48029 8471.215555 TG 46:0; [M+NH4]+@10.34 74025.34193 74230.28728 83787.61584 102520.5329 56980.67084 91433.86522 54216.09903 88784.30071 61191.61342 24958.35867 69822.2944 21598.58756 27982.86353 16540.18717 23182.69716 31439.48576 23312.45648 TG 46:1; [M+NH4]+@10.06 349284.6604 436670.7849 383764.2736 505255.0439 372131.823 433972.6803 321243.7017 446309.8284 316209.3384 148616.7477 342363.2833 100392.9637 137657.2209 53412.95859 62287.3762 139112.9759 78426.31058 TG 46:2; [M+NH4]+@9.82 451689.1432 472765.2887 525592.9836 608260.2297 562604.4913 498437.6333 430172.3521 447631.0085 363441.1135 221434.2404 342216.0004 99771.70071 141610.2345 56048.37645 47070.69688 84777.73791 58327.81581 TG 46:3; [M+NH4]+@9.64 160431.2982 230154.676 219802.9181 255463.3826 102666.5224 120294.2256 127107.0887 124467.4638 88782.70474 52516.52785 80051.92461 27688.16255 32310.70684 10241.28288 8360.271351 18335.96926 9677.109952 TG 48:0; [M+NH4]+@10.57 74878.05413 40872.81228 27988.09702 405026.5451 253730.7749 157140.6342 30850.48136 69952.94596 53815.66132 26950.73911 110878.3106 87169.27155 141035.6052 58083.55211 76435.38217 43466.16794 147697.1385 TG 48:1; [M+NH4]+@10.31 652716.5438 687415.5076 709950.1895 1039966.748 993283.4404 897384.7374 475499.6474 748751.1145 588154.584 328453.4366 668815.7565 200316.0614 338392.0567 120284.6497 182403.2031 307603.6397 241065.1703 TG 48:2; [M+NH4]+@10.09 1406669.896 1682325.047 1753344.569 1840732.573 2308402.893 2072974.633 1465427.776 2074592.011 1256188.355 911799.1323 1446737.374 538059.8101 790921.0144 303467.7714 304929.1401 519043.7168 319121.5257 TG 48:3; [M+NH4]+@9.89 986023.5198 957947.1106 924920.6144 902156.84 1175652.608 1086309.2 1025010.822 1076152.105 918764.422 479221.9501 1036803.811 254791.9719 391647.308 122999.3335 113095.9733 230606.5402 111945.4276 TG 49:0; [M+NH4]+@10.68 11544.93902 7024.217996 4914.206105 27604.71297 28400.18981 23968.00674 6255.799472 7705.059161 9914.97088 6675.789534 23888.43163 20014.60049 19825.74941 13117.96913 11868.88619 4246.784112 19324.94563 TG 49:1; [M+NH4]+@10.47 115211.8827 262764.7356 269750.0478 162485.9243 139442.3102 128344.4508 170643.1192 166889.9482 104723.1645 82741.82433 125529.5816 45597.64441 41592.13452 25084.23029 9926.324118 27400.51315 18865.63753 TG 49:2; [M+NH4]+@10.26 232281.0436 214939.9079 243998.435 131564.5688 382532.5256 285372.9226 173839.0359 270588.4603 244423.5872 160680.5905 356734.3379 146797.1599 218786.4465 83612.80845 31459.63685 50580.56782 42430.43542 TG 49:3; [M+NH4]+@10.05 108174.9852 125289.8634 131266.9883 110894.9542 191137.3797 120998.4146 110885.7677 144397.9977 114746.5024 79217.06628 155355.5449 55845.49432 57679.66004 23399.88427 24179.98409 31420.07659 13248.32192 TG 50:0; [M+NH4]+@10.80 69744.00432 102749.579 74584.43584 221803.506 146917.9673 107454.4256 40914.0335 74667.16914 52786.076 32973.73188 95612.49437 34396.12585 49725.25296 22213.72213 45334.37095 78726.572 72352.05821 TG 50:1; [M+NH4]+@10.56 866972.6353 805267.471 727955.5157 1235014.368 1158720.695 1100028.711 491311.336 781202.0833 571874.1397 426124.3101 906310.6994 310668.0118 472393.1454 191371.1497 371150.8152 479382.7059 439972.1017 TG 50:2; [M+NH4]+@10.34 2792176.541 2518538.801 3025799.671 3431976.688 5819948.053 4777193.775 2286875.192 3709737.104 2745053.195 2115333.453 4277946.102 1870082.872 3019501.36 1217575.515 1029400.564 1266592.876 1708833.839 TG 50:3; [M+NH4]+@10.14 3294020.962 3669870.061 3784257.807 3272221.044 4746929.426 4181795.477 2883701.813 3672247.042 2532764.583 2058035.147 3196954.043 1280173.571 1701485.694 664294.7441 581910.426 1403365.847 663879.7661 TG 50:4; [M+NH4]+@9.97 1092609.844 1364443.345 1262169.2 1168839.367 1448608.286 1501043.425 1029025.174 1153941.033 995090.5321 731540.113 1206515.265 321850.6169 489300.0819 154593.0106 146807.2197 347182.899 146483.786 TG 50:5; [M+NH4]+@9.73 189090.8768 230291.0772 208809.3932 288357.5389 233666.7353 261459.9968 184101.7009 199761.9542 141547.9938 138272.6279 211614.8876 63881.33198 75970.87184 27924.76062 20997.02437 58464.52641 27669.77727 TG 51:1; [M+NH4]+@10.71 94923.97833 109694.2761 110546.0434 129950.008 217906.8165 162395.2552 94370.32635 99483.57676 101288.8648 40355.00671 184011.3832 64166.18229 85583.20688 39827.92498 20531.38336 31357.04386 19347.66947 TG 51:2; [M+NH4]+@10.51 431241.989 469702.9761 401454.2633 387374.9078 672412.4231 599534.7927 317836.36 464690.7183 395153.2708 298781.9231 633062.714 364857.1347 469725.1762 174620.6943 71154.82922 175425.185 106721.7742 TG 51:3; [M+NH4]+@10.32 279869.3906 321584.2421 337712.6393 371081.2159 295287.2534 232514.9708 194512.6725 207223.6071 184231.7912 158014.0061 282344.11 145194.5927 195787.9625 56886.73235 40492.89911 64786.10206 57813.42588 TG 51:4; [M+NH4]+@10.13 89030.48351 128561.9956 101418.4782 195733.7215 173812.9248 104517.3247 124318.09 149597.3512 117280.4493 82645.40753 124239.6531 42246.57344 65549.42972 40618.55041 30717.50551 34709.72718 37492.47104 TG 52:0; [M+NH4]+@11.03 51350.86326 58980.21189 56729.11884 133819.5575 90389.71209 72446.24512 29267.16471 69023.41057 32946.04326 19200.14622 77811.0363 36168.07579 31999.34597 18761.09145 31628.42447 43704.55207 23919.01409 TG 52:1; [M+NH4]+@10.82 790403.5984 691210.8333 625002.7298 1152055.684 1134675.97 901123.5184 456498.8709 854364.9328 451688.2096 314908.9479 725813.6997 409436.8739 441785.734 206728.1108 296407.0459 452841.7891 505444.5131 TG 52:2; [M+NH4]+@10.60 3905021.919 7674418.045 7986918.453 7726515.089 5660699.335 4247046.443 4526943.884 5514667.666 3296151.109 2925221.471 4411825.598 1915750.3 2022007.217 896302.4895 857834.9578 1964620.205 1553976.556 TG 52:3; [M+NH4]+@10.38 5044228.843 4789057.795 5583135.973 9971329.823 11760950.84 10039264.15 6340976.204 6903779.42 5794077.269 4092287.106 8591205.402 4281535.931 6667183.304 2420615.984 2392634.262 3382619.385 3288972.432 TG 52:4; [M+NH4]+@10.21 2368201.188 2347422.306 2595962.897 4579215.123 4995495.052 4353958.212 2240938.605 3145685.549 2779930.745 2332559.691 4344681.489 1858299.038 2928152.844 994512.8156 668976.302 1129262.229 898963.0644 TG 52:5; [M+NH4]+@10.05 530870.0156 1287102.965 1248973.966 2189501.272 706427.8769 709599.3776 807652.6017 894380.1024 479371.1539 559362.5257 659638.1901 237858.7142 259563.2547 106324.4803 54788.4268 163601.7743 68075.62208 TG 52:6; [M+NH4]+@9.85 97276.76562 90990.92956 114935.1854 284393.3605 178679.6991 155128.6284 78356.7018 112893.9516 99320.5506 84628.66907 148944.9759 67193.13828 88534.66889 31245.5829 15415.4899 30715.22471 25981.6928 TG 53:0; [M+NH4]+@11.16 23384.6493 8244.512423 19695.17349 26035.95313 18381.33463 22230.69846 11498.36786 14743.30847 3404.780994 8873.20668 26739.80284 12394.65494 21970.63316 18655.3821 8781.121562 10334.19061 17634.56208 TG 53:1; [M+NH4]+@10.91 70593.97517 80064.64073 71892.4886 90076.02993 56121.44849 118335.9326 66372.11847 79814.40974 63689.18616 38907.90262 84861.24254 38065.45944 71342.27833 28543.91049 11652.34519 22384.16282 17938.46051 TG 53:2; [M+NH4]+@10.74 330577.027 303293.0728 289821.5075 330889.2756 662234.0149 448402.0848 372271.2564 558722.4384 387889.0448 250197.0143 661413.3021 454485.4664 629501.6354 224542.1824 91837.3676 140449.2951 98273.5647 TG 53:3; [M+NH4]+@10.55 335823.5999 453615.833 425082.4677 480708.4267 548214.7036 411537.8599 274092.6509 369240.4077 266829.9514 246660.5313 431368.8669 374713.6993 485039.6347 155614.3035 91950.7197 146112.6887 123787.8071 TG 53:4; [M+NH4]+@10.39 131135.4712 315081.5789 272545.8503 240319.0714 169467.2226 243857.3589 231775.7347 280869.5361 180046.6064 131105.3174 165194.2712 134187.6441 112557.7036 32516.73462 34187.90092 37204.42979 58010.20404 TG 53:5; [M+NH4]+@10.17 130348.29 80464.73139 89470.8253 104200.1979 174979.0498 281236.105 103981.8434 100662.8917 74996.11661 58772.43374 178369.5335 115761.218 252218.0176 88155.97754 13585.66116 68290.95795 19741.06077 TG 54:1; [M+NH4]+@11.07 295149.0754 776831.0083 586294.3056 481188.788 385697.6354 328546.1456 364052.4978 359694.6576 189885.1815 192141.0912 280895.2994 107830.5519 163368.3884 57764.56142 52667.05728 155474.6206 77071.42092 TG 54:2; [M+NH4]+@10.80 2668875.691 4717014.634 4281057.683 3648823.313 4055967.112 4911272.823 3199055.923 3371081.077 1847142.435 1881183.23 2964797.258 1943444.988 2033365.324 836974.5829 589311.8876 1454368.214 863828.0916 TG 54:3; [M+NH4]+@10.59 9663106.921 10713068.57 9748825.438 11906914.3 27792090.35 21020379.41 10553810.05 13923758.21 11230103.16 9354307.936 20464734.74 19733473.2 27640786.31 9866511.832 6031105.086 11308756.51 9725315.988 TG 54:4; [M+NH4]+@10.45 3957768.119 5203970.674 4455987.412 4753162.153 8436629.86 7097872.337 3500441.767 4565690.565 3840108.575 3699168.011 6828701.698 4027145.718 5893931.858 1978386.091 1480747.758 3625584.324 1852755.823 TG 54:5; [M+NH4]+@10.30 902940.0327 1742870.501 1975070.216 2632032.125 2034117.118 1499411.463 1242865.884 1293847.919 1211616.25 1701613.946 1569226.8 1031615.22 1324986.992 495312.6427 214529.1036 540583.1649 334557.9196 TG 54:6; [M+NH4]+@10.08 274962.4674 290485.1942 305148.1104 1352541.789 592493.0399 545622.5701 346600.2679 378929.5769 309247.0069 281949.471 521520.4342 309234.2916 411785.9948 165703.6757 112545.6444 185985.4829 125365.4212 TG 54:7; [M+NH4]+@9.97 90837.70734 93007.78481 96141.6377 490325.0545 167585.9435 154684.4033 96933.74316 121243.7981 94377.49493 52821.95082 125893.9649 92142.67 84820.79671 47836.90639 29549.30525 63418.3876 36796.81455 TG 54:8; [M+NH4]+@9.76 35123.36466 33939.73097 40355.66129 95057.81946 62827.72749 74685.12057 31959.53087 37060.24514 30782.87229 22347.36159 41570.64975 20384.35936 29014.18073 9799.550233 9481.100894 17068.06186 10402.29152 TG 55:1; [M+NH4]+@11.14 32298.32536 38046.25899 31516.62536 14885.04986 15336.71758 40221.33792 16201.92285 11193.08779 5484.768837 14744.343 37020.85916 14274.90228 18341.90265 9601.853991 3754.06343 4763.312106 5261.222054 TG 55:2; [M+NH4]+@10.94 108560.2912 109863.9885 98713.33139 76370.78344 167935.7469 122947.0065 125772.3314 148091.3833 63223.76631 92758.89426 245224.1268 147682.2498 192943.3891 65817.11961 28426.59255 48572.47477 20373.82495 TG 55:3; [M+NH4]+@10.78 175200.1428 262997.1974 202677.1834 174718.8867 346284.3891 249162.8912 134669.6976 207289.7104 183402.6409 161671.4252 260126.7217 217587.0196 243263.2059 102238.9496 63356.32594 116132.4335 68740.34642 TG 55:4; [M+NH4]+@10.60 133512.0089 219848.4171 181378.7391 141830.0483 263052.6908 164832.4394 96249.31733 164048.3051 151637.0192 214674.5607 230856.879 127227.9463 175916.4095 78444.48032 31176.91222 69013.90074 38472.9409 TG 55:5; [M+NH4]+@10.49 109245.2452 236438.4344 98644.60115 134812.9151 165312.9811 250023.745 66273.5639 106037.0053 99843.76301 151841.9733 322728.4533 107542.7522 313691.2989 95381.46486 50483.51956 138805.417 81033.0851 TG 55:8; [M+NH4]+@9.98 4894.437848 3673.925674 6081.812262 17521.39451 8402.046872 5820.372393 4924.118275 4761.277774 2387.886119 3128.127556 7016.542366 4116.855969 4769.47155 3151.804148 674.9928252 2592.272587 4562.276481 TG 56:0; [M+NH4]+@11.53 7079.057241 2700.745919 9829.086291 5799.047715 6874.570059 2799.925038 3381.328085 3398.653509 6071.634205 2404.582988 5892.632871 6021.52813 3781.185938 1529.072031 2276.071717 2281.504673 4445.686151 TG 56:1; [M+NH4]+@11.29 41219.60542 77258.48676 65752.38204 56629.90793 94150.3755 75870.12142 39147.70286 64578.06891 35016.82682 40250.7921 80212.75039 32509.12385 46018.32431 20649.18791 15943.55021 31506.38987 19923.85151 TG 56:10; [M+NH4]+@9.68 5674.171838 4492.256116 7999.284561 16992.50173 10215.43511 6270.080381 3385.21821 7405.543202 2824.569546 3359.73893 7169.589968 3696.51829 1584.446496 2153.502429 1541.122174 2208.763383 1578.161029 TG 56:2; [M+NH4]+@11.08 498036.7047 1201078.459 982334.6609 650723.3812 715048.4724 678460.6898 740780.3239 669451.363 314652.4013 468310.8217 644304.9526 258332.2563 289084.9748 128985.6593 85212.08247 276969.3635 130547.7916 TG 56:3; [M+NH4]+@10.85 1871124.296 2571898.643 2461305.803 2674775.112 3575371.07 3065538.338 1944263.689 2050806.933 1368689.55 1496005.433 2851578.8 2057870.604 2674844.138 838515.4462 895487.31 1445976.647 980533.1648 TG 56:4; [M+NH4]+@10.67 3128319.172 4187675.756 3583751.044 3205423.178 7165669.619 6118022.275 2765413.66 3572149.564 2705419.505 3043749.632 5946452.381 3638206.86 5195189.001 1921152.408 1531755.682 3091561.513 1879430.065 TG 56:5; [M+NH4]+@10.53 1875424.69 1610867.589 1532079.618 1847808.348 4494777.449 4087264.191 1945938.485 2589159.547 2112484.061 2000398.48 5335776.601 3723349.528 5979681.52 1952622.217 1243037.447 1788416.18 1330586.187 TG 56:6; [M+NH4]+@10.42 351456.5735 358487.5557 359415.013 688325.9952 921331.6235 831692.1052 401905.3324 424790.1346 348045.2351 384718.5483 704731.0018 817100.5882 1061635.977 437436.2051 217033.3238 329147.1328 272951.6298 TG 56:7; [M+NH4]+@10.30 189264.4096 182844.5058 225122.6244 474629.9325 439422.6978 372354.0046 157027.7408 236666.1763 195113.9706 162266.5488 313231.5702 377762.6458 523684.4912 167539.6506 93141.04275 178460.4107 165541.4201 TG 56:8; [M+NH4]+@10.09 91498.3778 237073.7092 214872.4805 387101.3264 248911.9209 188097.7579 184598.6699 162907.2239 142535.958 154085.03 146452.7795 168585.7499 162093.6735 70406.92465 31653.34162 120597.996 45200.44737 TG 56:9; [M+NH4]+@9.83 31977.78403 39147.36224 39141.05603 94152.56245 66109.53685 60810.57577 49239.4678 47495.08633 46484.50712 30430.98644 57079.83537 56278.29276 61273.95932 19762.84924 15017.40752 33010.98881 20696.70542 TG 57:2; [M+NH4]+@11.15 21911.49176 15717.5125 14868.9439 18358.74934 23233.96745 21682.49227 16854.20819 24733.98213 11256.10993 12783.87344 40636.45896 19141.7136 13666.06698 6564.315664 3697.893739 8716.902263 7831.546096 TG 57:4; [M+NH4]+@10.84 76039.19615 71383.24357 67434.3177 37469.21314 73979.63506 96063.95155 56239.22992 93665.41296 58345.08151 62089.63931 143049.3762 96932.53146 118922.6144 43320.17651 21596.73861 40529.87057 43433.54787 TG 58:10; [M+NH4]+@10.00 17595.01347 28638.84737 15672.8084 52339.73307 37317.1178 28389.54137 17258.24988 16733.65144 18427.9523 10982.23011 23425.37604 23975.06067 35206.50204 7371.387352 8758.097085 18734.20872 8991.741066 TG 58:11; [M+NH4]+@9.79 4134.113719 4275.0306 3714.643716 26699.63977 6824.503152 6612.520462 6697.67107 2103.827799 4282.686656 1969.654508 3552.282085 4548.853589 5979.500995 1682.812217 1288.685091 3761.173497 1296.305678 TG 58:2; [M+NH4]+@11.29 196300.073 242160.8735 183032.0563 104243.2062 199234.6769 161398.9958 124487.9136 131033.6868 92996.28389 100279.781 127055.1676 46482.20674 58384.55849 19286.08948 26313.20159 76753.85054 30897.15812 TG 58:3; [M+NH4]+@11.10 355448.0823 453031.1264 435926.0034 366418.8814 787243.4634 725347.2735 384881.19 441666.6695 301532.4447 399160.3089 770905.1284 410025.3603 539331.7584 231484.5703 122429.2634 252362.6275 182255.6283 TG 58:4; [M+NH4]+@10.90 530816.3129 1204516.585 1217642.084 612212.8132 1163396.865 977057.9005 746763.2761 789545.7674 568416.361 1174610.03 1003834.991 621288.9498 714322.6691 259950.6266 134172.33 419505.2778 198608.0723 TG 58:5; [M+NH4]+@10.74 1186096.365 1637243.474 1359077.864 1035280.15 2263672.727 2070315.682 928443.04 1204871.945 818422.6259 1281590.337 1933722.942 1414836.402 2100707.954 723108.811 468143.5599 1043379.143 561028.3599 TG 58:6; [M+NH4]+@10.60 231074.8229 260549.755 231203.2491 266769.1124 587448.7488 444623.5364 180702.8358 253263.3716 199256.7563 232353.4237 507609.0096 430138.9673 563967.4411 220796.5583 126595.9205 202717.8606 170562.3447 TG 58:7; [M+NH4]+@10.50 213806.1413 266305.4646 254269.0649 366317.0203 403172.6633 393264.2879 203707.6897 209795.0511 155704.6751 190940.7718 324241.8307 471856.7224 570429.6259 185755.1054 88997.34468 222233.8062 154371.5706 TG 58:8; [M+NH4]+@10.32 235855.0083 267605.9917 281902.887 394888.7217 432971.652 451778.3047 225623.8556 243271.319 230092.9072 213584.0273 290821.6285 757935.3426 735017.6615 241667.2458 149019.3301 293046.3923 234860.9843 TG 58:9; [M+NH4]+@10.19 26967.49906 25335.57184 16331.22948 201690.4876 125011.6455 142309.2041 35007.44224 47552.65142 34061.18685 27130.70273 88872.18818 206604.4463 268196.7034 162086.5584 59859.57222 55844.69188 143212.7676 TG 60:10; [M+NH4]+@10.31 35600.61035 30609.91972 34337.17828 44678.83228 86730.35291 64706.35174 44789.21807 42732.93287 30674.22555 27254.65456 76321.90448 113449.0786 120726.8709 39173.97811 23407.87402 56759.11616 21348.25283 TG 60:11; [M+NH4]+@10.13 5754.571695 5491.455602 7440.936052 20593.45249 11926.84947 12955.66309 7064.388728 9042.852829 6972.426007 7102.318555 16269.45463 18743.41694 18264.31598 8839.265585 5503.474766 10424.19393 5329.206926 TG 60:12; [M+NH4]+@9.94 3652.459192 3520.77291 2337.684726 12546.20271 3147.20716 5359.195888 1994.981918 1470.583735 1894.509451 3551.564955 1860.928451 4623.784688 4379.499472 1751.825268 2256.023765 3642.192844 3423.572835 TG 60:3; [M+NH4]+@11.33 155442.8695 377485.0999 354929.7238 184581.3989 228434.1403 186437.5045 191668.7797 212078.5162 211875.1329 280765.2773 205349.5994 101168.3423 119110.8454 46359.56974 24029.01609 108964.0704 39537.84697 TG 60:4; [M+NH4]+@11.14 161339.8805 180150.5686 170983.0696 124504.3944 202356.43 237555.0031 167236.3082 159744.0587 102775.6979 117612.8259 230616.4478 111220.1359 80714.79991 59270.51435 42736.97377 90124.98897 51160.11644 TG 60:5; [M+NH4]+@10.93 201649.5833 273698.3825 266768.4655 232772.6352 362578.9511 388463.979 227770.245 230826.0595 179008.9851 227792.1762 399962.7056 184262.5064 218393.1318 93815.79896 56533.90603 135344.7538 79409.32221 TG 60:6; [M+NH4]+@10.79 222466.3331 244675.632 237516.8702 244235.4321 523036.9446 412507.1615 209805.4245 208477.38 176095.8986 250759.3237 377790.0842 235756.4373 346071.9148 131896.1759 109188.8114 151192.6466 106226.7128 TG 60:7; [M+NH4]+@10.68 88943.03031 100918.0043 87778.15961 107228.8096 270498.9584 213867.7346 85671.24649 102979.1522 84048.86161 104311.7632 171648.865 202308.8476 286730.2156 106260.7663 51971.04017 86018.30829 73846.15206 TG 60:8; [M+NH4]+@10.51 96164.69063 98097.95097 84813.66612 87869.04649 219222.188 213324.005 74092.11344 102256.9437 86317.70061 81839.45473 129553.9338 250095.8631 293838.6206 111362.825 70537.67405 131240.183 57179.07372 TG 60:9; [M+NH4]+@10.40 46944.69049 105932.079 78224.04935 61466.69569 73998.78012 88956.3565 61545.24488 46464.08984 39686.63841 48169.76499 84462.19345 64242.40364 76258.30664 24177.51256 15796.43258 36305.53505 18155.41108 TG 62:10; [M+NH4]+@10.50 14832.14439 15333.83152 18075.01522 10117.62379 33959.85903 15146.81282 10089.96488 10695.82152 7886.519359 9676.510951 31235.29433 23544.66061 56878.90192 9534.791508 8331.920282 19802.45629 10678.78069 TG 62:7; [M+NH4]+@10.86 49565.8499 53291.91059 50407.03212 53784.22641 120974.5943 107650.0558 58803.7606 61725.71245 35870.60336 46734.00542 104755.3779 109474.9942 121801.9223 42970.89729 29438.92632 42833.45054 23527.97203 TG 62:8; [M+NH4]+@10.73 27174.49452 45565.68422 27765.3145 21686.08091 57454.54668 79723.26995 18873.95983 29684.3974 16522.38074 37348.15547 47023.01575 49689.56342 90156.88495 25417.81188 13967.01903 25460.90293 14972.26781 TG 62:9; [M+NH4]+@10.58 7260.960636 6226.893936 3048.095809 16223.51278 33890.68091 37287.57715 5064.410366 7247.298202 7280.190857 7594.644958 35161.45892 40762.00054 41195.53093 24534.26886 16019.02348 13460.8878 25631.62038 TG 64:8; [M+NH4]+@10.89 6381.618217 5869.235101 3344.032231 17227.04154 23380.10955 30197.57561 5306.223895 6494.590925 5477.597469 8012.001136 19688.09501 39006.39414 26799.18772 18213.4179 6799.579371 9016.543723 18763.86216 lysoPC 14:0; [M+H]+@1.12 5082.665459 5912.13117 4603.396982 75201.6271 3665.710958 4649.966804 6024.376809 1911.152031 3820.921198 3994.727253 6899.103703 7461.368495 7352.234478 4356.526278 5355.814677 11471.72189 4088.44593 lysoPC 15:0; [M+H]+@1.30 4732.56685 3837.802511 4123.072212 70931.94599 4547.331099 4673.397154 3188.330468 3170.098197 2101.145211 3406.460242 6755.62156 4436.206632 6691.073495 3928.985481 2439.931321 3857.727961 2851.007882 lysoPC 16:0; [M+H]+@1.61 230055.9295 327886.59 377850.2937 15008569.03 155147.3666 115510.1637 169693.5506 63284.98002 50466.36349 158425.3225 175723.1375 93831.0639 144607.8035 51173.45318 144641.4995 442881.0385 139747.1444 lysoPC 16:1; [M+Na]+@1.17 9200.864056 12344.81913 12278.9162 65952.79078 6691.946669 7280.960412 8002.359826 4548.203378 2876.427388 7795.479853 9785.391691 4141.544837 10100.42696 3385.808221 6858.086145 16568.97587 2984.317752 lysoPC 18:0; [M+H]+@2.37 91205.48674 126847.0081 138193.3686 7891193.09 51041.83517 55896.05226 47571.05769 27815.50127 24371.37591 55187.83158 76826.9421 35327.32453 47807.18524 28095.16774 83918.28737 273067.388 85766.15426 lysoPC 18:1; [M+H]+@1.84 360244.5312 612012.8417 697676.5363 3489434.616 391910.8611 315829.8471 478809.7933 163261.7236 134653.3049 422494.4425 432715.3472 483586.4823 682488.5984 273737.3499 357408.1997 1136557.925 312997.1026 lysoPC 18:2; [M+H]+@1.35 19844.69268 49428.30533 53443.73925 4983394.207 16714.05687 13982.02018 22814.12149 11448.43864 7590.628014 23256.29634 20531.63055 9701.870787 12074.97192 5863.577708 8411.780691 32630.98544 9704.329312 lysoPC 18:3; [M+H]+@1.16 4651.420764 1686.401598 7810.863544 54012.42237 2442.488661 8926.263877 1113.856244 1099.514771 1175.639937 4459.162171 742.4979574 5776.60835 5606.874478 3035.940437 1143.259474 3289.571648 1055.682762 lysoPC 19:0; [M+H]+@2.94 10430.90305 10461.80531 9856.077322 47273.62474 18194.75979 23732.39042 8244.963998 10221.92566 6764.152038 7909.227324 15058.87585 14261.96806 16314.86058 12525.15224 6808.339034 9432.968538 9692.706479 lysoPC 20:0; [M+Na]+@3.30 3883.697642 3883.803915 3064.246103 5403.706684 3797.576988 4518.781764 3915.434718 3151.056999 2426.020691 2020.186665 6763.037251 1333.73998 3675.170982 822.0101297 695.7695382 2857.176772 861.564181 lysoPC 20:1; [M+H]+@2.56 5627.49155 7569.325287 10417.36752 44617.25848 8585.801921 4808.376416 5717.074476 1712.803467 1980.951526 6504.776442 12908.54291 7276.230852 8106.098261 2712.463868 5738.226812 18111.07227 5579.702322 lysoPC 20:2; [M+H]+@1.99 15422.10923 17245.01874 24580.65003 68072.12147 12344.65862 10062.94079 8207.439206 4148.648137 2948.030667 8395.99992 11326.94866 6239.697348 7605.710012 4712.976415 9430.568655 28036.60777 6076.530471 lysoPC 20:3; [M+Na]+@1.52 14827.02133 22729.3966 28153.13825 228419.7575 9068.180323 6864.340032 15555.43465 5271.897964 4680.389641 12533.29127 14641.02943 15583.2937 16353.26446 7223.209387 17160.11715 48785.75876 14570.84592 lysoPC 20:4; [M+H]+@1.38 92218.30877 235581.0226 11793.13643 933271.4514 90616.87399 93803.36889 187955.9224 48694.64352 40444.42657 143203.6372 127912.9878 6286.379059 142632.347 5618.079618 16506.39604 46035.87912 75147.64401 lysoPC 20:5; [M+H]+@1.07 1500.803817 2610.84542 1634.826941 1635164.792 2723.84181 2402.419854 1668.511472 1283.964489 445.0725447 1864.24129 4354.345846 4684.495594 698.1652593 3651.027081 4483.981006 5162.965102 9156.990064 lysoPE 16:0; [M+H]+@1.68 17419.74744 24469.21458 29835.60112 37737.79696 14582.78584 12205.42124 17058.00372 8153.830118 6454.2863 16002.26793 21061.56872 8038.398097 16491.8304 7842.288393 11261.55588 30995.56658 7197.907391 lysoPE 16:1; [M+H]+@1.24 6833.817946 14632.52091 14009.38918 9650.683131 4081.787628 3266.547098 6498.562682 2641.915699 2360.656757 4846.598202 5573.265758 1247.124934 3038.377276 1271.408671 1422.306016 4380.725189 1482.786956 lysoPE 18:0; [M+H]+@2.48 149016.8035 268442.494 289722.9414 161985.4289 92526.37209 101615.1983 163158.3757 53699.98255 39006.52757 157741.9935 176244.8631 94007.14506 133133.0828 67414.0437 85923.14079 352067.7663 63602.51052 lysoPE 18:2; [M+H]+@1.36 5963.093489 12852.36195 14751.7463 60675.65744 7947.304065 4730.020275 6744.541838 3146.991344 4220.040994 9425.574861 6726.478239 4284.766021 5731.685525 2167.169209 3173.385323 9536.656073 1565.68094 lysoPE 20:1; [M+H]+@2.64 3481.157387 3703.440092 2646.377404 13190.97527 6470.448839 4985.368362 3679.15249 1958.916698 1336.564928 7876.569318 13949.89089 15075.2668 26954.48519 18047.23629 5485.399855 8786.240688 10845.14499 lysoPE 20:2; [M+H]+@2.13 9594.071924 16425.20231 15923.9626 7613.05291 9179.824681 7162.516052 8183.334195 3310.125645 2952.000869 9195.712558 6272.598666 5933.640767 8062.503044 3990.427676 6785.469827 24283.66902 5256.368529 lysoPE 20:3; [M+H]+@1.69 31663.47961 45258.23994 51056.03969 20853.51178 24899.61973 16919.0512 26133.48398 13820.87852 7933.941981 17987.05554 22842.8222 6994.577438 11259.97244 3551.81162 10848.33049 32243.5303 9426.368496 lysoPE 20:4; [M+H]+@1.31 25203.06629 66363.29575 80752.26653 80918.29601 36257.3259 25218.91353 37175.44325 20597.41069 17976.30553 43482.4179 28604.17012 26897.13205 32419.98826 13473.55252 15461.40212 59341.81869 12095.6274 lysoPE 22:6; [M+H]+@1.27 13608.61202 20945.97107 20251.1187 35380.01263 20087.71063 14897.92397 21172.47142 12329.67405 7948.238023 12415.22844 13218.68406 14782.9605 18991.42059 11087.2901 10477.53259 31592.51535 8769.630901 plasmenyl-PC 18:0; [M+Na]+@1.70 113945.2587 249979.8468 312581.7955 1012727.628 101987.2146 103774.6915 216669.2758 56437.3633 44189.43181 166105.1113 142941.7376 122765.2133 154261.0392 112943.5849 92618.13766 519263.0613 83131.14381 plasmenyl-PC 20:0; [M+Na]+@2.50 4100.112561 21862.24635 22289.95061 17405.84346 1631.09465 1764.087175 6866.853262 1649.84982 784.1974747 7510.00929 1759.142754 1213.104596 3294.248568 389.5817944 985.6712432 10511.80382 590.9006397 plasmenyl-PC 36:4; [M+Na]+@6.65 6433.989117 19836.03443 16067.87052 21395.27781 17549.04328 17403.06277 13062.93406 6354.344982 5021.636629 8185.427826 18561.97967 7012.674723 6712.971005 4187.27914 1817.951996 2519.079326 2558.46653 plasmenyl-PC 40:3; [M+Na]+@7.94 1568.112057 1828.485455 6039.040552 19095.57435 560.4007788 1084.175246 3332.283892 1627.759255 1645.467837 1409.65059 521.1161122 1814.957711 480.7072775 457.9872766 1092.914254 2322.217263 338.0118321 plasmenyl-PC 42:5; [M+Na]+@7.53 1136.032792 432.6251446 404.5834871 7748.505291 1762.3792 1893.269907 673.3256331 1527.59181 1482.702974 804.9282987 1301.215647 256.5196115 3825.095017 1113.796111 206.2990965 1574.67725 1068.751364 plasmenyl-PE 18:0; [M+Na]+@1.72 10621.48032 13308.77079 17616.29048 9906.185882 12161.14483 8680.819986 17225.51616 6994.974941 5613.077616 11534.32591 17444.44145 17657.70425 24187.87146 10479.71384 8896.193902 27612.07463 5094.834412 plasmenyl-PE 36:1; [M+H]+@7.75 3343.705828 11765.06203 8013.595855 17671.54531 14237.25641 12711.96391 5587.548268 2980.995235 3816.380148 7510.232972 7868.24876 5359.32534 11915.95885 875.6268868 1414.396013 3514.368204 2846.37441 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 CE(18:1); [M+NH4]+@10.97 10.97 5283632 LMST01020003 LipidMaps CE(18:2); [M+NH4]+@10.72 10.72 5287939 LMST01020008 LipidMaps CE(20:2); [M+NH4]+@11.02 11.02 16061338 LMST01020012 LipidMaps CE(22:6); [M+NH4]+@10.51 10.51 14274978 LMST01020019 LipidMaps CE(24:1); [M+NH4]+@12.03 12.03 16061342 LMST01020020 LipidMaps DG 30:0; [M+NH4]+@7.37 7.37 DG(30:0) LipidMaps Bulk ID DG 30:1; [M+NH4]+@6.93 6.93 DG(30:1) LipidMaps Bulk ID DG 31:0; [M+NH4]+@7.57 7.57 DG(31:0) LipidMaps Bulk ID DG 32:0; [M+NH4]+@7.93 7.93 DG(32:0) LipidMaps Bulk ID DG 32:1; [M+NH4]+@7.48 7.48 DG(32:1) LipidMaps Bulk ID DG 32:2; [M+NH4]+@7.05 7.05 DG(32:2) LipidMaps Bulk ID DG 33:0; [M+NH4]+@8.08 8.08 DG(33:0) LipidMaps Bulk ID DG 33:1; [M+NH4]+@7.70 7.7 DG(33:1) LipidMaps Bulk ID DG 33:2; [M+NH4]+@7.32 7.32 DG(33:2) LipidMaps Bulk ID DG 34:0; [M+NH4]+@8.42 8.42 DG(34:0) LipidMaps Bulk ID DG 34:2; [M+NH4]+@7.58 7.58 DG(34:2) LipidMaps Bulk ID DG 34:3; [M+NH4]+@7.22 7.22 DG(34:3) LipidMaps Bulk ID DG 35:1; [M+NH4]+@8.15 8.15 DG(35:1) LipidMaps Bulk ID DG 35:2; [M+NH4]+@7.86 7.86 DG(35:2) LipidMaps Bulk ID DG 35:3; [M+NH4]+@7.53 7.53 DG(35:3) LipidMaps Bulk ID DG 36:1; [M+NH4]+@8.50 8.5 DG(36:1) LipidMaps Bulk ID DG 36:2; [M+NH4]+@8.14 8.14 DG(36:2) LipidMaps Bulk ID DG 36:3; [M+NH4]+@7.74 7.74 DG(36:3) LipidMaps Bulk ID DG 36:4; [M+NH4]+@7.48 7.48 DG(36:4) LipidMaps Bulk ID DG 38:1; [M+NH4]+@8.91 8.91 DG(38:1) LipidMaps Bulk ID DG 38:2; [M+NH4]+@8.51 8.51 DG(38:2) LipidMaps Bulk ID DG 38:3; [M+NH4]+@8.22 8.22 DG(38:3) LipidMaps Bulk ID DG 38:4; [M+NH4]+@7.94 7.94 DG(38:4) LipidMaps Bulk ID DG 38:5; [M+NH4]+@7.65 7.65 DG(38:5) LipidMaps Bulk ID DG 38:6; [M+NH4]+@7.31 7.31 DG(38:6) LipidMaps Bulk ID DG 38:7; [M+NH4]+@7.06 7.06 DG(38:7) LipidMaps Bulk ID DG 40:2; [M+NH4]+@8.95 8.95 DG(40:2) LipidMaps Bulk ID DG 40:3; [M+NH4]+@8.65 8.65 DG(40:3) LipidMaps Bulk ID DG 40:4; [M+NH4]+@8.41 8.41 DG(40:4) LipidMaps Bulk ID DG 40:5; [M+NH4]+@8.12 8.12 DG(40:5) LipidMaps Bulk ID DG 40:6; [M+NH4]+@7.82 7.82 DG(40:6) LipidMaps Bulk ID DG 40:7; [M+NH4]+@7.57 7.57 DG(40:7) LipidMaps Bulk ID DG 40:8; [M+NH4]+@7.17 7.17 DG(40:8) LipidMaps Bulk ID DG 42:1; [M+NH4]+@9.63 9.63 DG(42:1) LipidMaps Bulk ID DG 42:5; [M+NH4]+@8.52 8.52 DG(42:5) LipidMaps Bulk ID MG 17:0; [M+Li]+@3.17 3.17 107036 LMGL01010002 LipidMaps MG 18:0; [M+NH4]+@3.73 3.73 24699 LMGL01010003 LipidMaps PC 30:3; [M+H]+@5.29 5.29 PC(30:3) LipidMaps Bulk ID PC 31:3; [M+H]+@5.55 5.55 PC(31:3) LipidMaps Bulk ID PC 32:0; [M+H]+@6.64 6.64 PC(32:0) LipidMaps Bulk ID PC 32:5; [M+H]+@5.13 5.13 PC(32:5) LipidMaps Bulk ID PC 33:3; [M+Na]+@5.64 5.64 PC(33:3) LipidMaps Bulk ID PC 34:4; [M+H]+@5.39 5.39 PC(34:4) LipidMaps Bulk ID PC 35:5; [M+H]+@6.09 6.09 PC(35:5) LipidMaps Bulk ID PC 36:2; [M+H]+@6.84 6.84 PC(36:2) LipidMaps Bulk ID PC 36:4; [M+H]+@5.96 5.96 PC(36:4) LipidMaps Bulk ID PC 36:6; [M+Na]+@5.46 5.46 PC(36:6) LipidMaps Bulk ID PC 36:7; [M+H]+@5.52 5.52 PC(36:7) LipidMaps Bulk ID PC 37:5; [M+Na]+@6.10 6.1 PC(37:5) LipidMaps Bulk ID PC 38:3; [M+Na]+@7.13 7.13 PC(38:3) LipidMaps Bulk ID PC 38:9; [M+H]+@5.44 5.44 PC(38:9) LipidMaps Bulk ID PC 40:10; [M+H]+@5.59 5.59 PC(40:10) LipidMaps Bulk ID PC 40:5; [M+H]+@7.64 7.64 PC(40:5) LipidMaps Bulk ID PC 40:7; [M+Na]+@6.32 6.32 PC(40:7) LipidMaps Bulk ID PC 40:8; [M+H]+@6.39 6.39 PC(40:8) LipidMaps Bulk ID PC 40:9; [M+H]+@6.07 6.07 PC(40:9) LipidMaps Bulk ID PC 42:10; [M+H]+@6.30 6.3 PC(42:10) LipidMaps Bulk ID PC 42:11; [M+H]+@5.85 5.85 PC(42:11) LipidMaps Bulk ID PC 44:12; [M+Na]+@5.66 5.66 24779134 LMGP01011119 LipidMaps PE 30:1; [M+H]+@5.58 5.58 PE(30:1) LipidMaps Bulk ID PE 32:2; [M+H]+@5.78 5.78 PE(32:2) LipidMaps Bulk ID PE 34:1; [M+H]+@6.88 6.88 PE(34:1) LipidMaps Bulk ID PE 34:2; [M+H]+@6.39 6.39 PE(34:2) LipidMaps Bulk ID PE 36:3; [M+H]+@6.63 6.63 PE(36:3) LipidMaps Bulk ID PE 36:4; [M+H]+@6.41 6.41 PE(36:4) LipidMaps Bulk ID PE 37:4; [M+H]+@6.67 6.67 PE(37:4) LipidMaps Bulk ID PE 38:4; [M+H]+@6.91 6.91 PE(38:4) LipidMaps Bulk ID PE 38:5; [M+H]+@6.50 6.5 PE(38:5) LipidMaps Bulk ID PE 38:7; [M+H]+@5.68 5.68 PE(38:7) LipidMaps Bulk ID PE 39:6; [M+H]+@6.55 6.55 PE(39:6) LipidMaps Bulk ID PE 40:5; [M+H]+@7.21 7.21 PE(40:5) LipidMaps Bulk ID PE 40:7; [M+H]+@6.42 6.42 PE(40:7) LipidMaps Bulk ID PE 42:6; [M+H]+@7.18 7.18 PE(42:6) LipidMaps Bulk ID PE 42:8; [M+H]+@6.61 6.61 PE(42:8) LipidMaps Bulk ID SM 30:0; [M]+@4.70 4.7 46891775 SM 30:1; [M]+@4.40 4.4 SM 30:1 LipidBLAST SM 31:0; [M]+@5.08 5.08 SM 31:0 LipidBLAST SM 31:1; [M]+@4.80 4.8 SM 31:1 LipidBLAST SM 32:0; [M+Na]+@5.44 5.44 44260138 SM 32:1; [M]+@4.96 4.96 11433862 SM 32:2; [M+Na]+@4.53 4.53 SM 32:2 LipidBLAST SM 33:0; [M+Na]+@5.80 5.8 SM 33:0 LipidBLAST SM 33:1; [M+Na]+@5.50 5.5 52931139 SM 33:2; [M+Na]+@5.02 5.02 SM 33:2 LipidBLAST SM 34:0; [M]+@6.10 6.1 9939965 SM 34:1; [M]+@5.85 5.85 SM 34:1 LipidBLAST SM 34:2; [M]+@5.50 5.5 SM 34:2 LipidBLAST SM 35:2; [M]+@5.64 5.64 SM 35:2 LipidBLAST SM 36:1; [M]+@6.54 6.54 44260139 SM 36:2; [M]+@6.03 6.03 SM 36:2 LipidBLAST SM 37:1; [M]+@6.87 6.87 SM 37:1 LipidBLAST SM 38:1; [M]+@7.19 7.19 SM 38:1 LipidBLAST SM 38:2; [M]+@6.52 6.52 SM 38:2 LipidBLAST SM 40:0; [M+Na]+@8.02 8.02 44260132 SM 40:1; [M]+@7.59 7.59 SM 40:1 LipidBLAST SM 40:2; [M]+@7.30 7.3 SM 40:2 LipidBLAST SM 41:0; [M]+@8.33 8.33 SM 41:0 LipidBLAST SM 41:1; [M]+@8.11 8.11 SM 41:1 LipidBLAST SM 41:2; [M]+@7.59 7.59 SM 41:2 LipidBLAST SM 42:0; [M+Na]+@8.56 8.56 44260134 SM 42:1; [M]+@8.14 8.14 44260133 SM 42:2; [M]+@7.83 7.83 SM 42:2 LipidBLAST SM 43:0; [M]+@8.74 8.74 SM 43:0 LipidBLAST SM 43:1; [M+Na]+@8.60 8.6 SM 43:1 LipidBLAST SM 43:2; [M]+@8.20 8.2 SM 43:2 LipidBLAST SM 44:1; [M]+@8.75 8.75 SM 44:1 LipidBLAST SM 44:2; [M]+@8.32 8.32 SM 44:2 LipidBLAST TG 40:0; [M+NH4]+@9.48 9.48 TG(40:0) LipidMaps Bulk ID TG 42:0; [M+NH4]+@9.78 9.78 TG(42:0) LipidMaps Bulk ID TG 42:1; [M+NH4]+@9.53 9.53 TG(42:1) LipidMaps Bulk ID TG 44:1; [M+NH4]+@9.80 9.8 TG(44:1) LipidMaps Bulk ID TG 44:2; [M+NH4]+@9.59 9.59 TG(44:2) LipidMaps Bulk ID TG 46:0; [M+NH4]+@10.34 10.34 TG(46:0) LipidMaps Bulk ID TG 46:1; [M+NH4]+@10.06 10.06 TG(46:1) LipidMaps Bulk ID TG 46:2; [M+NH4]+@9.82 9.82 TG(46:2) LipidMaps Bulk ID TG 46:3; [M+NH4]+@9.64 9.64 TG(46:3) LipidMaps Bulk ID TG 48:0; [M+NH4]+@10.57 10.57 TG(48:0) LipidMaps Bulk ID TG 48:1; [M+NH4]+@10.31 10.31 TG(48:1) LipidMaps Bulk ID TG 48:2; [M+NH4]+@10.09 10.09 TG(48:2) LipidMaps Bulk ID TG 48:3; [M+NH4]+@9.89 9.89 TG(48:3) LipidMaps Bulk ID TG 49:0; [M+NH4]+@10.68 10.68 TG(49:0) LipidMaps Bulk ID TG 49:1; [M+NH4]+@10.47 10.47 TG(49:1) LipidMaps Bulk ID TG 49:2; [M+NH4]+@10.26 10.26 TG(49:2) LipidMaps Bulk ID TG 49:3; [M+NH4]+@10.05 10.05 TG(49:3) LipidMaps Bulk ID TG 50:0; [M+NH4]+@10.80 10.8 TG(50:0) LipidMaps Bulk ID TG 50:1; [M+NH4]+@10.56 10.56 TG(50:1) LipidMaps Bulk ID TG 50:2; [M+NH4]+@10.34 10.34 TG(50:2) LipidMaps Bulk ID TG 50:3; [M+NH4]+@10.14 10.14 TG(50:3) LipidMaps Bulk ID TG 50:4; [M+NH4]+@9.97 9.97 TG(50:4) LipidMaps Bulk ID TG 50:5; [M+NH4]+@9.73 9.73 TG(50:5) LipidMaps Bulk ID TG 51:1; [M+NH4]+@10.71 10.71 TG(51:1) LipidMaps Bulk ID TG 51:2; [M+NH4]+@10.51 10.51 TG(51:2) LipidMaps Bulk ID TG 51:3; [M+NH4]+@10.32 10.32 TG(51:3) LipidMaps Bulk ID TG 51:4; [M+NH4]+@10.13 10.13 TG(51:4) LipidMaps Bulk ID TG 52:0; [M+NH4]+@11.03 11.03 TG(52:0) LipidMaps Bulk ID TG 52:1; [M+NH4]+@10.82 10.82 TG(52:1) LipidMaps Bulk ID TG 52:2; [M+NH4]+@10.60 10.6 TG(52:2) LipidMaps Bulk ID TG 52:3; [M+NH4]+@10.38 10.38 TG(52:3) LipidMaps Bulk ID TG 52:4; [M+NH4]+@10.21 10.21 TG(52:4) LipidMaps Bulk ID TG 52:5; [M+NH4]+@10.05 10.05 TG(52:5) LipidMaps Bulk ID TG 52:6; [M+NH4]+@9.85 9.85 TG(52:6) LipidMaps Bulk ID TG 53:0; [M+NH4]+@11.16 11.16 TG(53:0) LipidMaps Bulk ID TG 53:1; [M+NH4]+@10.91 10.91 TG(53:1) LipidMaps Bulk ID TG 53:2; [M+NH4]+@10.74 10.74 TG(53:2) LipidMaps Bulk ID TG 53:3; [M+NH4]+@10.55 10.55 TG(53:3) LipidMaps Bulk ID TG 53:4; [M+NH4]+@10.39 10.39 TG(53:4) LipidMaps Bulk ID TG 53:5; [M+NH4]+@10.17 10.17 TG(53:5) LipidMaps Bulk ID TG 54:1; [M+NH4]+@11.07 11.07 TG(54:1) LipidMaps Bulk ID TG 54:2; [M+NH4]+@10.80 10.8 TG(54:2) LipidMaps Bulk ID TG 54:3; [M+NH4]+@10.59 10.59 TG(54:3) LipidMaps Bulk ID TG 54:4; [M+NH4]+@10.45 10.45 TG(54:4) LipidMaps Bulk ID TG 54:5; [M+NH4]+@10.30 10.3 TG(54:5) LipidMaps Bulk ID TG 54:6; [M+NH4]+@10.08 10.08 TG(54:6) LipidMaps Bulk ID TG 54:7; [M+NH4]+@9.97 9.97 TG(54:7) LipidMaps Bulk ID TG 54:8; [M+NH4]+@9.76 9.76 TG(54:8) LipidMaps Bulk ID TG 55:1; [M+NH4]+@11.14 11.14 TG(55:1) LipidMaps Bulk ID TG 55:2; [M+NH4]+@10.94 10.94 TG(55:2) LipidMaps Bulk ID TG 55:3; [M+NH4]+@10.78 10.78 TG(55:3) LipidMaps Bulk ID TG 55:4; [M+NH4]+@10.60 10.6 TG(55:4) LipidMaps Bulk ID TG 55:5; [M+NH4]+@10.49 10.49 TG(55:5) LipidMaps Bulk ID TG 55:8; [M+NH4]+@9.98 9.98 TG(55:8) LipidMaps Bulk ID TG 56:0; [M+NH4]+@11.53 11.53 TG(56:0) LipidMaps Bulk ID TG 56:1; [M+NH4]+@11.29 11.29 TG(56:1) LipidMaps Bulk ID TG 56:10; [M+NH4]+@9.68 9.68 TG(56:10) LipidMaps Bulk ID TG 56:2; [M+NH4]+@11.08 11.08 TG(56:2) LipidMaps Bulk ID TG 56:3; [M+NH4]+@10.85 10.85 TG(56:3) LipidMaps Bulk ID TG 56:4; [M+NH4]+@10.67 10.67 TG(56:4) LipidMaps Bulk ID TG 56:5; [M+NH4]+@10.53 10.53 TG(56:5) LipidMaps Bulk ID TG 56:6; [M+NH4]+@10.42 10.42 TG(56:6) LipidMaps Bulk ID TG 56:7; [M+NH4]+@10.30 10.3 TG(56:7) LipidMaps Bulk ID TG 56:8; [M+NH4]+@10.09 10.09 TG(56:8) LipidMaps Bulk ID TG 56:9; [M+NH4]+@9.83 9.83 TG(56:9) LipidMaps Bulk ID TG 57:2; [M+NH4]+@11.15 11.15 TG(57:2) LipidMaps Bulk ID TG 57:4; [M+NH4]+@10.84 10.84 TG(57:4) LipidMaps Bulk ID TG 58:10; [M+NH4]+@10.00 10 TG(58:10) LipidMaps Bulk ID TG 58:11; [M+NH4]+@9.79 9.79 TG(58:11) LipidMaps Bulk ID TG 58:2; [M+NH4]+@11.29 11.29 TG(58:2) LipidMaps Bulk ID TG 58:3; [M+NH4]+@11.10 11.1 TG(58:3) LipidMaps Bulk ID TG 58:4; [M+NH4]+@10.90 10.9 TG(58:4) LipidMaps Bulk ID TG 58:5; [M+NH4]+@10.74 10.74 TG(58:5) LipidMaps Bulk ID TG 58:6; [M+NH4]+@10.60 10.6 TG(58:6) LipidMaps Bulk ID TG 58:7; [M+NH4]+@10.50 10.5 TG(58:7) LipidMaps Bulk ID TG 58:8; [M+NH4]+@10.32 10.32 TG(58:8) LipidMaps Bulk ID TG 58:9; [M+NH4]+@10.19 10.19 TG(58:9) LipidMaps Bulk ID TG 60:10; [M+NH4]+@10.31 10.31 TG(60:10) LipidMaps Bulk ID TG 60:11; [M+NH4]+@10.13 10.13 TG(60:11) LipidMaps Bulk ID TG 60:12; [M+NH4]+@9.94 9.94 TG(60:12) LipidMaps Bulk ID TG 60:3; [M+NH4]+@11.33 11.33 TG(60:3) LipidMaps Bulk ID TG 60:4; [M+NH4]+@11.14 11.14 TG(60:4) LipidMaps Bulk ID TG 60:5; [M+NH4]+@10.93 10.93 TG(60:5) LipidMaps Bulk ID TG 60:6; [M+NH4]+@10.79 10.79 TG(60:6) LipidMaps Bulk ID TG 60:7; [M+NH4]+@10.68 10.68 TG(60:7) LipidMaps Bulk ID TG 60:8; [M+NH4]+@10.51 10.51 TG(60:8) LipidMaps Bulk ID TG 60:9; [M+NH4]+@10.40 10.4 TG(60:9) LipidMaps Bulk ID TG 62:10; [M+NH4]+@10.50 10.5 TG(62:10) LipidMaps Bulk ID TG 62:7; [M+NH4]+@10.86 10.86 TG(62:7) LipidMaps Bulk ID TG 62:8; [M+NH4]+@10.73 10.73 TG(62:8) LipidMaps Bulk ID TG 62:9; [M+NH4]+@10.58 10.58 TG(62:9) LipidMaps Bulk ID TG 64:8; [M+NH4]+@10.89 10.89 TG(64:8) LipidMaps Bulk ID lysoPC 14:0; [M+H]+@1.12 1.12 LPC(14:0) LipidMaps Bulk ID lysoPC 15:0; [M+H]+@1.30 1.3 24779458 LMGP01050016 LipidMaps lysoPC 16:0; [M+H]+@1.61 1.61 LPC(16:0) LipidMaps Bulk ID lysoPC 16:1; [M+Na]+@1.17 1.17 LPC(16:1) LipidMaps Bulk ID lysoPC 18:0; [M+H]+@2.37 2.37 LPC(18:0) LipidMaps Bulk ID lysoPC 18:1; [M+H]+@1.84 1.84 LPC(18:1) LipidMaps Bulk ID lysoPC 18:2; [M+H]+@1.35 1.35 LPC(18:2) LipidMaps Bulk ID lysoPC 18:3; [M+H]+@1.16 1.16 LPC(18:3) LipidMaps Bulk ID lysoPC 19:0; [M+H]+@2.94 2.94 24779472 LMGP01050041 LipidMaps lysoPC 20:0; [M+Na]+@3.30 3.3 24779473 LMGP01050045 LipidMaps lysoPC 20:1; [M+H]+@2.56 2.56 LPC(20:1) LipidMaps Bulk ID lysoPC 20:2; [M+H]+@1.99 1.99 52924053 LMGP01050132 LipidMaps lysoPC 20:3; [M+Na]+@1.52 1.52 LPC(20:3) LipidMaps Bulk ID lysoPC 20:4; [M+H]+@1.38 1.38 LPC(20:4) LipidMaps Bulk ID lysoPC 20:5; [M+H]+@1.07 1.07 11757087 LMGP01050050 LipidMaps lysoPE 16:0; [M+H]+@1.68 1.68 LPE(16:0) LipidMaps Bulk ID lysoPE 16:1; [M+H]+@1.24 1.24 LPE(16:1) LipidMaps Bulk ID lysoPE 18:0; [M+H]+@2.48 2.48 LPE(18:0) LipidMaps Bulk ID lysoPE 18:2; [M+H]+@1.36 1.36 LPE(18:2) LipidMaps Bulk ID lysoPE 20:1; [M+H]+@2.64 2.64 LPE(20:1) LipidMaps Bulk ID lysoPE 20:2; [M+H]+@2.13 2.13 LPE(20:2) LipidMaps Bulk ID lysoPE 20:3; [M+H]+@1.69 1.69 LPE(20:3) LipidMaps Bulk ID lysoPE 20:4; [M+H]+@1.31 1.31 LPE(20:4) LipidMaps Bulk ID lysoPE 22:6; [M+H]+@1.27 1.27 LPE(22:6) LipidMaps Bulk ID plasmenyl-PC 18:0; [M+Na]+@1.70 1.7 PC(P-18:0) LipidMaps Bulk ID plasmenyl-PC 20:0; [M+Na]+@2.50 2.5 PC(P-20:0) LipidMaps Bulk ID plasmenyl-PC 36:4; [M+Na]+@6.65 6.65 PC(P-36:4) LipidMaps Bulk ID plasmenyl-PC 40:3; [M+Na]+@7.94 7.94 PC(P-40:3) LipidMaps Bulk ID plasmenyl-PC 42:5; [M+Na]+@7.53 7.53 plasmenyl-PC 42:5 LipidBLAST plasmenyl-PE 18:0; [M+Na]+@1.72 1.72 plasmenyl-PE 18:0 LipidBLAST plasmenyl-PE 36:1; [M+H]+@7.75 7.75 PE(P-36:1) LipidMaps Bulk ID METABOLITES_END #END