#METABOLOMICS WORKBENCH araskind_20170605_141117 DATATRACK_ID:970 STUDY_ID:ST000686 ANALYSIS_ID:AN001058 PROJECT_ID:PR000485 VERSION 1 CREATED_ON June 30, 2017, 12:13 pm #PROJECT PR:PROJECT_TITLE Impact of prenatal bisphenol A (BPA) on the lipidomics of the female sheep PR:PROJECT_TYPE MS analysis PR:PROJECT_SUMMARY Gestational exposure of bisphenol A in female sheep induces metabolic phenotype PR:PROJECT_SUMMARY and the impact of BPA on lipidomics is being assessed to determine the mechanism PR:PROJECT_SUMMARY that leads to altered insulin sensitivity PR:INSTITUTE University of Michigan PR:DEPARTMENT Environmental Health Science PR:LABORATORY Padmanabhan Lab PR:LAST_NAME Padmanabhan PR:FIRST_NAME Vasantha PR:ADDRESS Ann Arbor, MI PR:EMAIL vasantha@umich.edu PR:PHONE 734-647-0276 #STUDY ST:STUDY_TITLE Lipodomics and Gestational bisphenol A (BPA) exposure ST:STUDY_TYPE MS analysis ST:STUDY_SUMMARY Gestational BPA exposure in sheep induces metabolic phenotype in sheep ST:STUDY_SUMMARY characterized by peripheral insulin resistance and increased adipocyte size. ST:STUDY_SUMMARY Because insulin sensitivity can be regulated by various agents including free ST:STUDY_SUMMARY fatty acids (FFA), we hypothesize that gestational BPA exposure alters ST:STUDY_SUMMARY circulating FFA inducing dyslipidemia, a marker of metabolic disorder. Because ST:STUDY_SUMMARY saturated FFA is associated with insulin resistance, determination of the FFA ST:STUDY_SUMMARY profile in these species aid in understanding the underlying mechanism. ST:STUDY_SUMMARY Additionally, because of the non-monotonic nature of responses to BPA exposure ST:STUDY_SUMMARY dose response studies are also needed. This study will therefore assess plasma ST:STUDY_SUMMARY lipid profile in sheep exposed to three different doses of BPA prenatally and ST:STUDY_SUMMARY compared with untreated control animals 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 4 ST:TOTAL_SUBJECTS 28 ST:STUDY_COMMENTS Metabolic disorders such as obesity and diabetes are currently widespread with ST:STUDY_COMMENTS epidemic proportions. Recent studies have implicated that these disorders have ST:STUDY_COMMENTS developmental basis due to maternal exposure to adverse insults including ST:STUDY_COMMENTS endocrine disruptors such as Bisphenol A (BPA). As BPA is present in maternal ST:STUDY_COMMENTS serum, amniotic fluid, cord blood taken at birth, placenta, colostrum and breast ST:STUDY_COMMENTS milk suggests that BPA has developmental impacts. In fact developmental BPA ST:STUDY_COMMENTS exposure have been linked to intrauterine growth restriction and low birth ST:STUDY_COMMENTS weight offspring, risk factors for adult cardiometabolic abnormalities. Animal ST:STUDY_COMMENTS models are helpful to study the effect of developmental BPA exposure and ST:STUDY_COMMENTS determine associated mechanisms. #SUBJECT SU:SUBJECT_TYPE Animal SU:SUBJECT_SPECIES Ovis aries SU:TAXONOMY_ID 9940 #SUBJECT_SAMPLE_FACTORS: SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Additional sample data SUBJECT_SAMPLE_FACTORS SU0018573 S00028709 BPA_DOSE:Control SUBJECT_SAMPLE_FACTORS SU0018574 S00028710 BPA_DOSE:Control SUBJECT_SAMPLE_FACTORS SU0018575 S00028711 BPA_DOSE:Control SUBJECT_SAMPLE_FACTORS SU0018576 S00028712 BPA_DOSE:Control SUBJECT_SAMPLE_FACTORS SU0018577 S00028713 BPA_DOSE:Control SUBJECT_SAMPLE_FACTORS SU0018578 S00028714 BPA_DOSE:Low SUBJECT_SAMPLE_FACTORS SU0018579 S00028715 BPA_DOSE:Low SUBJECT_SAMPLE_FACTORS SU0018580 S00028716 BPA_DOSE:Low SUBJECT_SAMPLE_FACTORS SU0018581 S00028717 BPA_DOSE:Low SUBJECT_SAMPLE_FACTORS SU0018582 S00028718 BPA_DOSE:Low SUBJECT_SAMPLE_FACTORS SU0018583 S00028719 BPA_DOSE:Low SUBJECT_SAMPLE_FACTORS SU0018584 S00028720 BPA_DOSE:Low SUBJECT_SAMPLE_FACTORS SU0018585 S00028721 BPA_DOSE:Low SUBJECT_SAMPLE_FACTORS SU0018586 S00028722 BPA_DOSE:Medium SUBJECT_SAMPLE_FACTORS SU0018587 S00028723 BPA_DOSE:Medium SUBJECT_SAMPLE_FACTORS SU0018588 S00028724 BPA_DOSE:Medium SUBJECT_SAMPLE_FACTORS SU0018589 S00028725 BPA_DOSE:Medium SUBJECT_SAMPLE_FACTORS SU0018590 S00028726 BPA_DOSE:Medium SUBJECT_SAMPLE_FACTORS SU0018591 S00028727 BPA_DOSE:Medium SUBJECT_SAMPLE_FACTORS SU0018592 S00028728 BPA_DOSE:Medium SUBJECT_SAMPLE_FACTORS SU0018593 S00028729 BPA_DOSE:Medium SUBJECT_SAMPLE_FACTORS SU0018594 S00028730 BPA_DOSE:Medium SUBJECT_SAMPLE_FACTORS SU0018595 S00028731 BPA_DOSE:Medium SUBJECT_SAMPLE_FACTORS SU0018596 S00028732 BPA_DOSE:High SUBJECT_SAMPLE_FACTORS SU0018597 S00028733 BPA_DOSE:High SUBJECT_SAMPLE_FACTORS SU0018598 S00028734 BPA_DOSE:High SUBJECT_SAMPLE_FACTORS SU0018599 S00028735 BPA_DOSE:High SUBJECT_SAMPLE_FACTORS SU0018600 S00028736 BPA_DOSE:High #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 S00028709 S00028710 S00028711 S00028712 S00028713 S00028714 S00028715 S00028716 S00028717 S00028718 S00028719 S00028720 S00028721 S00028722 S00028723 S00028724 S00028725 S00028726 S00028727 S00028728 S00028729 S00028730 S00028731 S00028732 S00028733 S00028734 S00028735 S00028736 Factors BPA_DOSE:Control BPA_DOSE:Control BPA_DOSE:Control BPA_DOSE:Control BPA_DOSE:Control BPA_DOSE:Low BPA_DOSE:Low BPA_DOSE:Low BPA_DOSE:Low BPA_DOSE:Low BPA_DOSE:Low BPA_DOSE:Low BPA_DOSE:Low BPA_DOSE:Medium BPA_DOSE:Medium BPA_DOSE:Medium BPA_DOSE:Medium BPA_DOSE:Medium BPA_DOSE:Medium BPA_DOSE:Medium BPA_DOSE:Medium BPA_DOSE:Medium BPA_DOSE:Medium BPA_DOSE:High BPA_DOSE:High BPA_DOSE:High BPA_DOSE:High BPA_DOSE:High CL 72:3; [M-2H](2-)@6.91 24621.92109 39020.89417 24029.16247 23685.76632 16482.84415 37594.36322 29306.80603 18202.29248 23630.72831 15218.75455 29450.45308 17443.86037 26558.84266 38986.2957 14522.62769 30206.81182 24863.20587 22951.04876 48728.10514 21804.27151 31990.47092 32860.34343 20457.61297 28616.18552 32941.00781 31976.62873 13597.38018 17942.58726 CL 76:5; [M-2H](2-)@7.09 33758.46416 18005.49088 8187.654422 21030.87019 9792.786988 15370.98483 14722.31576 15983.38781 7797.798861 8494.414337 11031.32917 14906.95293 16137.93289 14212.78907 20254.01934 18260.44216 17816.48005 10712.5206 11775.51874 8301.908171 20795.4114 11457.17676 6528.373556 20906.02266 5952.914577 13858.68127 11749.20752 9315.656521 CerP 32:1; [M-H]-@5.21 5123.944198 5029.17828 2205.445709 5378.175371 2953.026143 4344.92262 2701.124409 3837.817076 3152.763474 2751.139919 3371.677271 2411.343467 2845.357975 2697.359779 1855.954926 5301.746769 4556.41405 2256.569326 3293.190313 1506.030175 5111.78641 1409.365881 2160.532391 2461.929793 1419.212074 2044.489569 2971.10248 3489.454969 CerP 34:1; [M-H]-@5.95 214895.1914 224956.8447 187835.4648 222216.0285 244830.0192 211625.9728 244643.7339 216174.5721 244075.4883 235650.025 291634.2575 206514.0289 211700.9349 283195.2002 182525.1319 353715.0558 303792.3686 192278.204 324524.049 218857.2495 264028.054 291904.3251 200581.8122 147108.1496 184914.2534 263416.6045 245062.1365 178859.1364 CerP 34:2; [M-H]-@5.45 26819.05767 29000.78936 35911.81468 29358.85485 50621.19067 22595.12382 45981.12973 38829.80044 28516.86809 40776.95286 19014.44611 23946.84606 42939.14694 39152.63137 23033.87968 38085.43063 41861.50486 15090.19345 33650.40617 15408.33422 22801.41448 37973.93717 29215.43646 23697.70183 39884.97661 56509.18019 29416.60556 14029.60852 CerP 35:1; [M-H]-@6.29 125326.3127 110090.246 114657.3139 99342.44775 136001.8915 87604.26264 132483.4336 85457.84937 134136.2487 102434.2496 115675.7236 29417.98202 101238.1239 166952.1147 39598.98945 106175.4209 131732.4432 121375.1273 175734.0194 116562.6384 166704.2277 155546.8759 120596.3296 122468.096 122939.473 171965.5805 149062.8535 29490.01037 CerP 41:1; [M-H]-@8.23 62639.20124 68712.20133 73037.93731 63445.28795 71404.58222 59801.88723 52927.85285 56495.94498 75062.57418 70408.9378 76780.92462 68554.93317 73342.48152 66547.17011 60291.00624 88515.75957 86287.38285 58666.0718 92110.10524 45606.19471 55200.67787 88349.49085 73127.09978 53779.53205 63656.88046 75426.79617 63415.75056 58060.71959 FFA(16:0) 37278087.49 33530604.94 38000735.72 48743039.14 41333671.27 34933261.16 33774871.15 35905539.02 40813314.55 45310122.47 48370083.66 51223828.72 36010848.12 34848079.77 35862874.47 37799145.72 38568234.07 32643566.34 43089087.25 38391328.16 39805340.06 36601328.36 29733723.18 29399575.08 36425349.8 37178805.05 29150977.51 38172110.71 FFA(18:0) 54964465.37 48222675.94 51782530.42 67634781.14 56068526.54 50540417.57 50103381.22 52058225.92 53187863.76 56169518.6 62005253.14 67124649.37 52234897 47909209.25 50794703.44 54404690.07 56218224.51 49213631.62 59181252.75 53414755.34 51707027.88 51262138.21 47900608.63 44524048 50627046.15 48545502.14 44600730.29 56222045.79 FFA(18:1) 50237664.3 35282349.72 58657953.9 77396881.98 64314870.96 46495171.74 42332812.43 47553672.06 59927708.07 73314106.27 73089514.13 79026135.43 49822272.28 49575810.02 54885143.7 45408811.83 44072278.96 41322848.65 60854116.21 62989182.14 61216184.71 49702058.07 42875550.37 31586696.21 48051498.36 59492220.34 29078175.51 55844544.45 FFA(18:2) 16937434.54 13357588.83 21088524.14 30376681.7 23425523.35 17352428.42 15719551.34 18128315.52 23239126.25 27410846.81 28461871.21 29210860.05 19954429.49 17763802.22 18612380.57 19149480.94 15151728.78 15245905.53 22224707.79 23784984.56 23124218.13 17946786.15 14551302.21 11187774.58 17097500.43 20862819.65 10593487.61 18472331.27 FFA(20:0) 2443156.08 2326116.217 2030169.218 2589087.215 2297629.987 2061190.168 2231060.459 2183172.971 2167538.678 1986521.642 2534521.678 2518361.345 2458048.096 2055720.41 1948184.437 2724124.754 2302320.692 2169417.942 2390044.811 2164893.488 2229675.274 2247477.532 1865257.805 2099087.899 2195552.556 1870636.259 2149457.31 2247278.698 FFA(20:1) 470898.4945 389516.782 526220.205 684294.7989 637943.1111 396302.6509 456753.6517 434251.3315 575155.7088 655363.4528 707934.7286 701518.311 878537.1302 465800.2425 607624.7547 391701.2502 402795.381 350028.916 483139.8971 841885.2457 482995.5965 467564.6559 419369.5776 309384.066 475872.6835 583291.2398 285796.9426 513892.0548 FFA(20:2) 220097.7779 151923.1331 300443.4559 382545.5088 340717.3623 194965.1267 200482.9103 243486.7887 335785.4922 415646.5054 320661.1285 336255.7044 503234.0859 215998.8644 370738.0632 151609.026 146207.9623 187827.492 216035.6626 405357.7841 272060.1357 235205.7848 251830.7155 150854.4326 209554.3881 357979.2695 115655.1965 209256.5 FFA(20:4) Arachidonic acid 5700718.13 4555766.304 6401678.621 7362488.714 6949529.574 5025410.87 5743836.103 4702633.729 5212208.348 6604350.944 6150995.684 5882311.788 4706051.866 5095263.212 5771867.796 4418413.197 5100309.453 4652192.535 6177006.86 5455796.53 5269296.221 5490271.423 5625820.256 4165078.205 4868548.4 6173837.766 4458301.888 3867486.141 FFA(22:0) 787156.1836 948298.8966 718156.7378 798511.6311 874557.7749 768248.1409 758082.7708 727972.8876 808523.1878 676559.6035 846357.2058 840425.9265 1003370.126 716538.9688 717992.157 1029928.218 895556.3403 744773.6121 902384.763 798071.2632 808689.2575 887614.6701 715502.5655 725985.8266 815719.8026 664563.2068 705405.8463 678873.513 FFA(22:1) 96616.86895 72982.38978 56449.95661 91276.81621 56927.77502 82054.13997 64591.05882 88561.86852 77727.47465 102274.7491 53549.59137 77124.79671 166117.0825 82388.38193 64866.14119 69719.23037 115133.2344 80832.85332 91629.56547 171176.5847 73948.1661 69899.342 78700.22183 50729.97729 96226.09086 59445.31704 66153.76126 74474.97314 FFA(22:2) 32434.356 21475.07632 51154.08075 31717.6905 55194.7924 17907.06117 31731.68165 31528.11341 24462.2473 37597.44341 16110.06717 25577.66362 142067.7843 22149.02998 40649.48959 31676.03033 24458.79939 14337.53171 27140.89084 44911.00394 12199.12993 38935 35612.82539 15156.29031 39736.16296 39517.7397 21344.14292 19319.63034 FFA(22:3) 29625.27666 39434.48211 33189.8244 38376.77587 61588.1166 34800.70738 25063.13391 46892.38264 47857.47448 39491.2525 45580.839 32710.4896 138461.6509 29138.79588 78307.62907 19033.17798 42268.50973 24098.58536 36060.86282 108561.8534 30680.16861 40947.46915 23411.45615 23368.86391 17662.06987 34533.1898 13862.92172 29987.42091 FFA(24:0) 386394.5077 724027.4787 368693.4624 277805.3223 451706.1832 405301.2503 530447.463 334421.7754 307766.3794 231798.914 329078.5165 314022.0345 936991.4165 393977.7599 514403.6245 390971.8204 441225.3775 376753.7764 558075.0485 881172.1528 361567.5838 421943.3101 291825.2359 408012.8007 323568.1191 322107.2459 360875.6008 213014.481 FFA(24:1) 115462.9649 230574.1396 68494.76505 87338.03768 180752.8193 94826.62624 129893.7621 91252.4593 98783.89832 75204.28672 108356.4854 98679.39986 172446.4255 102875.7657 111531.9148 188648.9243 118854.9596 96930.86144 162428.3748 153691.1941 74912.72517 151407.6149 86484.35884 95787.45228 109042.73 101314.8128 96648.49409 76083.08384 FFA(24:2) 18462.9894 16199.44705 11149.76693 14649.8887 18018.73183 10586.42964 17847.58166 18213.423 15660.54497 6150.991992 10097.47203 9284.932438 27688.42752 12003.13361 16461.69727 18043.56667 11353.25784 15708.36406 17100.62696 26467.37295 10013.84825 17427.53695 11879.2269 13338.2775 15835.87082 19944.03862 10292.80922 12792.41361 FFA(24:3) 1242.178956 2427.731501 699.1754429 1556.509311 1763.212114 4205.631271 2609.068082 3833.342762 1728.520125 2883.299098 1947.881737 3205.730451 9158.118135 2326.758204 4518.831837 1771.351658 2722.261628 1267.50998 1745.092312 8034.576127 1270.100062 3898.94936 1957.641767 1877.344072 1272.544114 2275.659293 1479.949672 1149.707855 N-(15Z-tetracosenoyl)-sphing-4-enine; [M-H]-@8.45 10592.96589 20448.44271 7835.598171 11928.62024 9417.545729 9626.197674 15068.98655 8904.337682 12556.40914 6274.789814 8180.769488 19074.84636 8778.467133 11316.18134 8234.389865 10040.1114 6468.28758 9164.531813 7138.77779 7370.15781 13341.48638 9879.396057 6109.244584 11873.5165 8500.847859 14940.24057 7869.451662 6590.785218 N-(docosanoyl)-sphing-4-enine; [M-H]-@8.46 8468.33601 17245.49961 10785.22317 9633.962845 10344.20058 13283.0821 13402.44992 6269.229589 11288.91572 4800.896331 9227.035431 12231.04411 10184.16775 13335.89386 14239.23649 11297.87008 17826.55042 6662.381159 6622.728868 10329.96897 19218.74257 21084.67022 9130.51105 8914.624649 9367.912827 10311.08786 12990.97553 5613.691561 N-(dodecanoyl)-sphing-4-enine; [M-H]-@5.51 5349.844802 8091.6712 9826.130685 7175.10989 8621.29526 9144.117412 8076.611142 6583.641168 10137.37812 4010.071764 5731.748985 12719.04376 9661.544044 6732.565332 13593.52446 11433.35791 8246.243729 7658.548438 4783.588743 9230.412084 6494.830452 5963.578376 7034.051243 3237.191161 7285.439629 5425.870697 7215.026432 11860.96953 N-(eicosanoyl)-sphing-4-enine; [M-H]-@7.96 1982.609816 1755.214424 2727.281394 2248.916362 754.5275314 4057.436782 4719.419428 3113.612837 1590.329481 469.7359628 1286.679552 3363.506733 4191.499848 3776.772949 2070.347502 7174.025192 2862.86545 1238.565914 7625.20936 4033.954502 1854.734903 1138.191879 1945.000466 1590.569438 573.5189951 3043.548944 2156.556095 2762.372347 N-(hexadecanoyl)-sphing-4-enine; [M-H]-@6.85 20980.19078 30354.3323 36439.31507 30572.38509 24448.4072 30649.49991 26287.68223 20209.53323 26970.09898 18244.58082 33065.38692 31551.575 28430.58576 25408.29892 20070.36455 25909.79181 41776.74904 22160.4109 33330.38892 34562.95141 32348.2066 19891.5811 22214.97989 20803.13595 29277.47787 17777.15054 26639.54931 22338.50869 N-(octadecanoyl)-sphing-4-enine; [M-H]-@7.44 13095.80463 12061.57552 6314.340101 24467.27252 8905.555389 7939.084309 17254.70063 12238.24525 6859.493055 10132.13545 10091.0499 11045.88508 7382.328768 9743.143409 13465.7684 5744.77472 8063.761299 5924.985669 6261.7661 20187.07974 17543.51017 3391.014534 5808.487456 5885.043277 8337.297091 9099.822478 8371.75671 7974.687959 N-(tetracosanoyl)-sphing-4-enine; [M-H]-@8.94 37408.57232 34480.06517 52150.53891 27945.53556 83737.89103 37615.26648 50466.57352 41328.49187 51247.1832 35779.59976 19916.89237 19638.52533 58665.36636 39913.00841 20483.90375 34348.63688 77894.56672 25124.80522 30362.5046 33385.41611 39862.06878 77491.65284 38610.44957 37267.94737 65186.74694 39332.28691 24680.25666 21469.87428 PA 34:1; [M-H]-@6.87 25620.26584 34316.71391 39169.78421 47107.23326 43529.57157 32077.45145 35422.96056 32183.9809 51543.97353 33609.00335 47471.54548 44551.64261 40265.00406 43769.54528 33182.17737 42663.82399 38304.17486 40111.20302 55999.50836 29093.61452 40824.0552 41043.1092 35783.28471 33059.25313 32677.14041 43652.80827 34267.26356 34538.29972 PA 34:2; [M-H]-@6.46 22473.70913 28519.26762 33218.42377 39142.2592 18042.15119 25256.75442 34962.57757 28965.98522 42049.65408 20531.56828 32848.37209 34067.40799 32353.94013 39799.89926 25738.6661 39267.5473 37476.62614 17342.97025 45559.31638 22804.67388 33588.71065 30296.10219 27944.32375 25580.10564 25832.09482 42883.46784 24617.10683 24351.54901 PA 34:3; [M-H]-@6.04 8913.82434 11038.00189 1735.303652 3300.400545 2632.509258 3141.716296 5746.637492 8720.779199 4673.66821 4023.811539 3706.57299 9758.078434 7921.615438 9190.272846 4366.843906 7322.001865 5318.761497 4645.312666 4235.086461 3528.299214 5912.60711 3893.671346 2541.869405 2996.932574 2334.175168 3822.498613 4198.839001 8692.643342 PA 35:1; [M-H]-@6.95 31859.75849 20967.50077 23157.42149 31950.16981 38679.05784 20265.46695 34178.57258 23344.38947 28111.5004 28411.37397 17303.30983 22602.58754 42381.89493 32183.83915 20879.42995 27023.54 30163.35599 19555.51334 24599.32252 13565.17671 20377.05024 35468.21868 30831.17683 24664.81511 41269.35639 40268.88923 19383.18389 20808.49536 PA 36:1; [M-H]-@7.52 73715.97003 64286.82704 54693.33043 90880.9914 66047.43431 69954.79867 54612.40577 69293.00003 75945.88214 68068.35744 67396.65376 68895.67606 52108.48214 64347.65095 53500.42484 60232.61244 108069.0391 53474.66801 62637.30796 63152.73552 58816.52742 78221.11904 57625.75029 65337.32836 55522.27473 77135.15142 68851.28259 55067.75718 PA 36:2; [M-H]-@6.89 107638.9605 130487.2563 110828.638 124735.1109 128130.6842 112687.0996 130456.5504 91881.40211 144032.3508 103629.0939 143104.1725 143783.5142 124050.6396 136480.2749 83786.93314 153946.4878 159909.7483 97826.49037 138534.1517 109389.3892 119737.0582 110747.7437 91071.83448 91109.21473 130932.3199 119526.1106 98047.66989 103575.5718 PA 36:3; [M-H]-@6.50 104131.6897 110264.2634 83812.34863 116497.5706 90894.34277 92974.27931 90519.81773 95841.90212 142599.1556 77377.42945 120304.8311 94780.45026 102490.7485 116608.084 70894.97903 135849.8603 117528.7785 89865.4386 121457.2498 86588.06687 116256.4886 102314.3678 89445.25717 79053.567 89868.42346 89007.03422 92451.08256 82124.11738 PA 36:4; [M-H]-@6.29 26912.15222 28788.89334 29569.8547 35927.59024 42945.69674 18722.40742 42560.89996 23645.26228 20377.60848 10562.26821 17091.02345 17297.51437 44235.59844 50623.21294 13899.28251 15890.17967 16727.09258 22369.01062 17667.36816 17054.04275 24726.78194 35853.33905 45123.78969 25736.09279 50413.88687 40466.03407 24358.82941 10793.10144 PA 36:5; [M-H]-@5.99 3286.539752 5463.301922 3838.541248 2293.822913 2998.12235 2055.169918 7926.078753 2338.251054 5650.088757 1288.363592 3110.689813 3034.008902 3472.668424 4083.310113 2525.505692 3114.612096 3914.496132 1029.610444 8129.764582 664.4204474 3982.969994 2370.238919 3519.790202 4533.694949 2398.644083 2560.689689 4118.148185 1343.54302 PA 38:4; [M-H]-@7.02 17440.84881 33290.91786 23781.01246 3318.749935 22892.43622 24022.74555 33579.61478 26006.76644 34174.3835 14913.02421 26074.30666 27860.69081 68139.48972 24090.59392 64362.5446 19262.31289 28617.9539 20551.43865 18042.61146 58325.50872 25559.77927 49488.8275 69592.0138 19747.83719 21167.34519 29580.69135 31087.0577 54390.13423 PA 38:5; [M-H]-@6.51 42333.46945 58570.61363 38319.71894 38991.06783 35547.92648 47480.01153 31794.79744 30846.43263 41860.73609 27339.39965 39821.863 39961.6307 45290.84467 40790.74656 31573.27266 32904.60742 55398.45213 38014.0939 51459.62971 34966.8034 22231.15064 45639.2225 43533.41254 32551.02604 38357.26246 27321.72758 44610.26957 29037.70849 PA 38:6; [M-H]-@6.27 10335.85437 18259.92526 11097.64976 10791.57845 17870.61449 10123.97715 17163.03217 12072.71464 8990.268077 9225.617571 14041.47194 9394.792357 9744.155103 16646.32147 10416.81793 17392.80269 11007.22834 12946.13118 19587.84546 9839.568868 17695.6657 10680.21521 13498.33995 10555.98863 10557.19593 12916.82281 11319.50968 13945.55563 PA 40:6; [M-H]-@6.51 50850.32186 67879.42143 68001.5409 39968.11838 69518.90568 53402.96993 62923.46069 47823.61873 46658.55385 46196.62569 50766.54195 57389.65679 54859.47278 59852.06869 45973.26501 44473.54806 69483.7428 39251.12342 66028.25022 47934.51261 59547.21987 55364.3429 68398.42531 50012.13461 55516.05219 53167.0678 65190.44234 43813.05123 PC 30:1; [M-Ac-H]-@5.60 3691.161867 17680.00382 6332.378438 4972.921768 10912.58175 6166.079793 11841.28324 4885.414415 9698.224103 6843.226466 16376.74733 5839.256258 10892.95332 13322.89573 7512.729935 10466.3048 15245.62797 7360.090393 11157.90996 6508.883187 11911.12333 16037.41826 7304.287819 8018.002015 6988.946017 7552.767779 10449.60573 5255.718735 PC 32:0; [M-Ac-H]-@6.83 144018.6746 161987.1243 206536.2057 197066.5846 179051.4607 138665.4154 196423.6936 161627.8972 196388.7231 169790.1495 189623.4223 165338.0593 194467.6866 154004.2281 132837.7931 150345.851 191636.7859 113085.7209 241509.2473 146655.9859 183147.1529 190502.7826 209681.8252 143632.2331 157177.6141 188757.4206 158208.8486 134730.0635 PC 32:1; [M-Ac-H]-@6.36 57000.90917 89472.14438 75217.00472 45443.62862 66049.22055 46686.33125 76482.84003 50526.08072 56750.57935 39999.90538 63545.84649 42482.01813 67284.39752 87512.42357 62428.24083 72480.55123 56653.76161 75693.29154 86507.2734 39616.24755 90425.76586 86213.65084 49678.87742 35444.30859 38888.82096 69343.5699 71293.04739 40528.51629 PC 32:2; [M-Ac-H]-@5.80 12082.07556 10769.85738 10279.67117 8958.722105 9965.763522 13740.87399 16498.22698 20623.2818 22910.89904 8990.542775 29071.33594 8316.952058 19989.48762 11905.6588 12616.29039 14434.4865 12462.74721 8356.976969 15042.02588 9214.144048 8791.42604 1072.021202 4706.22359 10953.9129 14625.22465 12083.20793 10098.81353 6603.069967 PC 33:2; [M-Ac-H]-@6.15 36313.02669 48134.14889 44911.60892 12585.04536 27453.79704 34799.37009 25762.66347 19195.36983 82323.32726 28055.33842 79383.75738 24769.92186 40121.22392 70229.37166 36207.11268 33666.19782 30712.417 28467.93451 52467.22961 20132.63542 18992.41988 62024.37325 37285.50596 1340.171327 23975.17384 20911.93582 53471.02191 21401.98336 PC 34:1; [M-Ac-H]-@6.88 774088.0766 853078.6733 829307.7647 757947.9991 917302.6353 732840.3772 1171327.894 694397.128 974389.2736 864777.5336 797445.833 715980.0027 899099.1299 1107467.504 756444.1967 851165.4852 1034641.99 716516.1397 1115007.599 666463.1785 938336.2549 1058169.04 856848.088 742813.8343 847097.8874 1222684.296 731322.4705 701586.0002 PC 34:2; [M-Ac-H]-@6.42 900502.322 867597.7046 850331.2046 887623.5064 868409.7572 767606.1917 1092925.156 811322.8589 1106951.159 703481.5409 1000675.452 741960.5327 1146660.279 1395526.545 840045.6575 1070891.445 1057612.868 802196.7502 969768.4311 713102.9479 986456.2029 1008790.73 812277.0855 790122.1671 887429.3545 984498.8368 873618.6163 652071.1094 PC 34:3; [M-Ac-H]-@6.00 109677.0594 147869.8185 59465.54714 88205.16765 73433.78466 76645.75045 169124.681 91214.5888 91060.44342 57338.38401 69897.95389 87145.85402 151400.6703 120606.1644 65130.42353 105996.3388 109902.6307 68113.73887 69302.1819 61831.53176 147267.905 75708.92519 52739.66597 58211.02272 70838.93777 107261.3891 71533.16893 83259.42049 PC 34:4; [M-Ac-H]-@5.75 11804.34035 14450.67803 8567.978981 1019.908654 5156.745194 6036.24146 9180.523715 8757.770953 3039.54603 6466.733724 5309.763858 4925.7726 12457.23655 15185.80354 9422.055438 10316.3005 4496.032452 6719.000065 7862.063015 4467.93229 12475.5834 6139.4514 2982.963799 4392.618684 4843.742534 6545.608077 3513.827618 5129.953797 PC 35:0; [M-Ac-H]-@7.73 38536.14339 56688.20589 58138.65266 49590.57847 44276.6024 34758.18282 59945.88164 47696.84108 39445.47507 47753.61318 33734.54563 36780.74558 68404.33038 55214.71672 30305.67364 48133.4563 50611.6079 36565.23231 42714.7407 38966.27054 41305.65016 43835.10969 50954.77016 38705.87078 42834.50029 40339.624 48988.95293 30659.44036 PC 35:1; [M-Ac-H]-@7.23 109589.8134 150944.7184 107221.9519 173656.0112 171250.9406 111144.4104 115469.1646 115631.1517 178057.241 89029.62215 124741.4765 138873.5627 152420.126 194930.4891 114622.8428 112961.3386 146403.5169 150357.6227 123044.9227 116234.1232 116317.883 193421.5928 133794.6912 139702.6008 132845.3571 165841.9539 139010.0624 111724.7522 PC 35:2; [M-Ac-H]-@6.74 132590.0024 140979.0292 134782.5395 140542.0503 168106.0853 122931.4418 160206.2386 121860.573 142883.5362 102121.1355 135225.0943 122379.6194 158468.5751 201556.6063 110088.1046 117090.7301 159562.7637 114782.6807 133103.6742 106872.0623 141255.879 152878.7587 117939.651 113727.3399 130761.6547 162178.1 112325.0863 66594.36474 PC 36:1; [M-Ac-H]-@7.55 1118857.368 1181088.136 1096990.453 1042109.475 1247714.475 1030646.395 1489644.413 900002.4973 1144642.754 954196.7652 1030730.072 900203.5733 1146683.985 1321081.916 938612.2226 902115.1044 1365428.268 1012262.142 1114951.923 807860.3915 1280602.925 1449890.207 961849.9217 1001331.366 987096.0218 1252344.261 837062.4031 850939.9069 PC 36:2; [M-Ac-H]-@7.02 1063552.838 1121823.464 1207385.472 1075855.992 1321140.13 946502.8697 1417694.903 1049578.591 1175134.538 904824.4144 1107219.868 946102.4893 1323379.837 1466947.011 902588.0193 1063431.775 1175825.543 979225.7831 1055804.01 884055.9828 1359432.941 1325482.564 916024.8038 949137.3222 988309.8788 1232548.098 809779.3061 810521.2114 PC 36:3; [M-Ac-H]-@6.60 360831.5859 425128.7056 343647.8796 367053.0541 440966.3429 362222.6489 451511.0493 425581.6685 441994.1079 264475.9847 403436.2454 333544.7479 393937.1092 502020.2879 316405.0766 359198.6939 400455.1849 347612.8146 357105.7567 361745.2143 449931.8487 339899.3857 279262.6471 308396.3941 316667.5645 350611.7402 281572.3714 297751.9571 PC 36:4; [M-Ac-H]-@6.30 280391.6104 310480.7982 289641.7528 271605.0382 353610.7949 272814.6149 399999.5646 314724.716 360124.3204 241898.6356 268940.8648 272802.5813 284610.6783 379197.676 293389.0765 244523.2285 339905.5869 268576.8094 308003.6001 262604.6142 338277.8794 337001.0879 293659.0256 248738.6201 247213.903 324899.6507 258463.6559 240496.3975 PC 36:5; [M-Ac-H]-@5.93 56689.14992 84339.21908 61533.32779 46686.59497 66216.8799 41520.45224 107325.0671 49824.2112 61658.40479 31759.91008 58041.44626 56417.60171 65245.6263 89291.12917 49747.32424 36612.33273 74543.65138 63315.7382 93142.70871 47047.28951 81613.32281 69027.79637 78808.79099 60313.47229 51615.79438 82640.22901 47334.17722 38927.1156 PC 37:1; [M-Ac-H]-@7.83 77533.50146 98600.39148 44577.4964 84372.90769 45684.23693 75901.63093 67385.48455 58557.62407 45069.58211 35914.30913 52126.39666 62633.39302 77216.22066 69395.38302 38655.20949 45146.98634 67123.78837 36830.61227 39229.46049 37372.05732 68879.04741 36920.15869 41683.90654 42796.24694 31366.74127 42137.48198 42362.13943 64419.14888 PC 37:2; [M-Ac-H]-@7.37 40099.64733 61881.04934 29077.20107 42181.89183 24412.55088 31915.53661 36503.51225 30201.07772 30520.19069 16033.06104 31149.00378 32327.80789 44698.92815 34557.15577 24404.38938 35713.27027 25640.82816 24486.76976 26350.80129 14623.97515 34900.04805 22350.26411 15467.11399 22390.9198 19750.89664 30693.36628 14488.98026 36940.42154 PC 37:4; [M-Ac-H]-@6.68 39077.75769 118412.4316 46284.7231 32799.406 42907.73927 48641.24941 50509.59439 45438.04652 41684.47116 26012.89819 45114.54704 37132.65232 46918.29426 64863.69701 35757.67616 50566.55563 46541.49776 37155.82081 51346.86528 51799.59787 84431.64542 49641.67324 46168.29332 36851.47861 31681.8639 40904.56291 47143.78832 34339.98601 PC 38:0; [M-Ac-H]-@8.18 30180.26195 31683.38843 21189.39556 40786.3153 18547.09491 42587.99856 37083.98339 22580.46737 17376.08032 30460.49402 48272.03896 32156.78304 40270.19018 43061.91732 36644.59668 26267.15888 28463.06777 31546.42374 35413.38917 27979.57208 25266.70391 57163.30058 18994.03044 45410.73179 30414.84029 38205.55894 58065.00355 37470.33791 PC 38:1; [M-Ac-H]-@7.67 72735.93242 38360.17035 54001.74632 49060.01145 77294.48762 22832.99539 110445.5133 46870.38056 90853.17007 46252.19899 45526.13806 17785.57343 64399.26087 131969.2145 46489.79671 11693.18462 31825.71511 47621.26277 18036.44475 35976.83308 20210.56788 115914.4602 54184.49071 48231.15611 45391.19686 88926.61392 38924.00573 27844.91633 PC 38:2; [M-Ac-H]-@7.73 40432.55651 33770.10037 56945.11655 30992.0595 14496.06957 35307.70088 25036.17773 31057.78608 27982.60987 42733.52999 35211.49062 37897.77203 32650.58952 65222.16589 28495.69674 54193.91787 61307.75987 31368.01343 59603.47922 40575.74105 34087.59349 32207.67551 41885.34685 57064.53655 27359.01653 18457.58222 41514.99328 22276.97631 PC 38:3; [M-Ac-H]-@7.35 162152.6506 227874.4095 168722.0273 255570.7163 112315.7554 204247.9534 133447.8451 197862.5666 150111.3422 66509.21367 105469.0147 287286.2003 141372.6684 124718.8223 94367.68793 95680.4123 189420.3677 179029.6881 190958.3827 130813.5405 187708.6162 114878.3062 71128.99977 97510.69231 83236.79325 100547.2388 70379.18907 145685.147 PC 38:4; [M-Ac-H]-@6.96 747405.5417 816657.3423 862899.894 766100.1024 761757.5159 579160.5643 855645.8342 708630.7833 786018.7041 666353.99 647390.9683 641387.7952 705699.72 836029.6047 691387.9948 664435.3976 946497.0429 559854.2518 808609.1942 521388.8335 868056.5569 860380.4703 668200.713 651411.5326 646898.7322 641015.8914 719677.4558 637957.7563 PC 38:5; [M-Ac-H]-@6.56 344093.3535 555115.8229 425969.254 282981.2983 417419.9337 411010.7407 438384.5166 387607.845 359712.2745 245438.586 402607.0049 354780.5867 458164.2055 477323.9905 292766.4009 313971.2361 456717.0449 314365.3581 491067.3373 314859.883 484232.6157 494091.3704 450842.2668 325715.4538 323150.9819 385544.6976 388394.7635 370686.447 PC 38:6; [M-Ac-H]-@6.21 165796.5605 191834.7621 176142.5603 121815.5939 145905.5937 103954.9789 180518.7093 142417.5019 120557.6284 128434.0129 152749.5775 115359.9517 154413.3567 160278.2489 126999.57 128786.7055 136258.1216 119187.8043 176322.028 121925.0646 157679.1167 173713.375 163115.6123 120492.9719 103211.3842 147669.0955 178988.7384 112726.25 PC 38:7; [M-Ac-H]-@5.60 27005.22437 35651.74256 42551.23021 37405.75198 46753.19259 27178.06115 47083.14528 19599.55445 42257.28795 19193.87263 36629.88994 22842.96476 47192.62295 31266.34384 15322.80557 18382.46243 20919.519 37787.45761 45489.52091 30856.17698 31770.82357 56044.76022 42752.3976 24256.54041 38253.06514 38909.90211 25179.00652 27931.77033 PC 39:5; [M-Ac-H]-@6.72 37592.33376 74928.50259 31574.71416 62489.12576 50449.68107 39882.90127 36875.36018 55165.70445 31367.99547 36595.08418 54230.44436 46429.28955 56081.14257 33115.18366 26279.88025 56235.22893 54010.47648 48740.73621 35910.92184 37264.56719 48062.74005 34968.5493 37041.32677 37575.38111 51347.37499 23664.08782 33394.57675 36801.92005 PC 40:5; [M-Ac-H]-@7.02 443124.9448 556247.8443 437506.4115 431042.9232 384507.7471 368911.151 479596.0815 385923.8412 455532.4891 328088.9557 376506.9998 417704.202 484231.6195 428018.6537 323900.7716 375103.5318 531375.7009 300064.9843 522994.3737 356861.1801 362916.359 549077.9896 412036.8256 288183.2819 374610.1018 353313.5276 490910.6634 366311.4797 PC 40:6; [M-Ac-H]-@6.82 266685.9572 248146.995 284878.0233 149667.4043 141274.6275 156183.4992 262825.9998 196580.4041 183744.7025 172304.3262 161897.288 193078.5113 167481.1909 220091.1627 190017.9956 193874.5349 200167.0192 144400.7882 227746.0501 187602.9512 182430.2884 275244.1647 231582.1491 128234.5063 167669.5803 159408.0893 337849.8484 172751.1492 PC 40:7; [M-Ac-H]-@6.37 46417.78953 31687.23588 55925.40437 19676.71469 24267.6847 23595.37809 55024.77311 44429.24989 18295.15143 22684.53181 9977.915024 22710.47936 43280.48196 27113.71658 16007.76134 19249.38358 30826.06479 14418.46729 16418.91343 13289.29099 33275.04201 35478.46789 21146.45428 24109.43482 36934.69524 46469.85509 33170.25752 15859.16242 PC 41:6; [M-Ac-H]-@7.09 3711.824946 17041.99966 13974.04663 5101.620837 4284.031012 8903.010675 8402.936456 14146.3122 5385.401827 9398.725261 8338.604225 9522.853396 8334.417078 14665.9863 6504.702966 3923.82536 7380.767318 8116.969555 11040.07312 4070.82482 7227.291385 5896.856386 8950.07433 6049.476369 7077.631801 9414.774981 17517.1912 5862.139811 PE 32:0; [M-H]-@6.80 12932.18713 14098.36211 18774.06507 25445.93969 21370.83105 8719.490163 13211.58379 9979.662197 27535.331 13770.21254 8634.053095 18446.98837 10532.36496 15397.5444 8156.336232 20953.75169 10158.79342 9742.837474 21814.57766 8357.151389 7792.646962 13385.464 14046.95266 13019.3513 28045.49972 29381.7061 12016.67952 7851.088525 PE 32:1; [M-H]-@6.27 2029.53038 11642.34693 2643.974202 1798.405848 2841.732113 7719.577421 4449.268697 1249.948686 8043.091915 7253.597601 1680.074393 2127.734916 4786.041574 2195.992253 533.3345229 1688.934083 2408.872755 2251.248345 10020.38232 819.2816194 3616.4525 4750.416395 3894.970942 954.8073346 1556.3649 257.0860716 5492.297513 1420.821951 PE 33:1; [M-H]-@6.63 14188.04863 13079.23753 7092.954313 10684.33161 13485.451 10395.58911 16523.77926 7776.259138 10775.36068 5252.765944 4627.333311 7973.03155 20264.01166 18474.79002 8043.554057 11144.27261 12858.17319 6334.909716 9803.825715 4823.027143 7103.947336 13278.35984 6899.174314 9074.653322 14918.50558 14844.61764 4998.069674 6330.477053 PE 34:1; [M-H]-@6.90 59303.57803 77783.0876 57546.54038 42944.97616 45595.45913 92255.24939 69140.70603 62425.05441 51778.02414 52242.68408 92197.21151 57178.7489 67828.73422 88414.03097 57452.72 77060.57384 69534.93533 67707.40998 121907.0862 49501.97521 80377.41316 69913.7273 57879.87586 69630.73652 44569.99672 97555.87754 42838.53487 67938.79981 PE 34:2; [M-H]-@6.49 87675.87832 89063.66458 101614.2897 74795.32575 97911.10733 86023.19916 112079.888 90772.66329 92909.7625 43432.15818 46742.47747 59935.96043 96626.60834 90469.02783 40048.11724 95985.73657 77083.36986 53188.7325 131865.2148 34019.85011 83959.63883 113606.5361 59560.05488 83408.33948 88359.32322 88167.25167 69656.98605 39929.79127 PE 34:3; [M-H]-@6.06 14938.98335 34088.02517 16067.41203 27740.49977 15856.64356 22993.90923 34278.37883 20364.4678 20389.94643 11029.3109 19313.02541 16927.13273 25834.31547 18614.36751 14420.23973 27297.83265 27636.1976 12559.89199 16725.43167 9096.199178 29732.31887 13332.36514 11022.66532 13788.14845 16123.22863 20536.18352 9816.23198 23401.65345 PE 35:0; [M-H]-@7.66 13381.87931 20942.73525 17562.28052 17002.25807 12074.98936 12677.59174 11234.19741 18617.18676 11562.61504 10429.68512 14731.0189 9434.648791 9857.048528 9259.859005 8303.949549 17709.79274 14317.92391 15910.82853 12666.10831 12953.24911 8726.053238 10364.76823 11183.04565 6452.286755 12290.15248 7214.738752 12499.08862 13300.62087 PE 35:1; [M-H]-@6.61 32014.12351 47268.30057 97008.7884 60478.7368 87997.96513 29017.67594 60354.86522 45187.51672 43768.11181 36615.45125 23366.60425 48033.37021 108712.6573 49152.3793 28229.24886 42661.93996 55195.46736 26332.98421 44725.27641 21423.15591 32742.05881 54035.47572 43825.58014 66431.06116 47884.41919 46453.90236 37756.85774 19857.6159 PE 35:2; [M-H]-@6.73 34324.82174 49084.68936 26553.24946 34646.6362 25933.29239 42431.11417 32444.47369 31835.35742 37648.7808 18477.75725 44958.82496 27993.59954 43129.3771 42669.76011 21803.12384 33631.7686 37046.76658 30900.58478 56669.43916 29805.24755 32321.59627 31192.90821 33519.4125 26445.94946 27948.93087 29609.87918 26017.62312 32870.38413 PE 35:4; [M-H]-@6.11 10133.40839 13938.39045 7905.142157 2014.693634 6259.409516 11453.08309 11145.07277 11369.85252 5233.772812 4021.669299 10220.57641 9983.420005 11998.21799 6093.222904 9912.723221 8480.213564 11767.74403 5940.396147 12369.80961 6762.096848 8430.560557 9681.489327 13408.46577 6647.991837 4783.41656 6155.592187 7407.230685 5696.484279 PE 36:0; [M-H]-@7.93 108291.3429 122194.1057 83160.24628 119898.7555 108574.3175 109694.658 88023.27399 112660.5636 118085.2989 112914.486 120832.6235 130207.6171 93366.71366 100439.4906 102701.6594 115049.9057 123405.9748 92542.70384 127863.6788 102553.1108 124213.2527 103902.1913 104820.8717 95742.9451 84707.47682 100330.8013 96095.19892 109007.984 PE 36:1; [M-H]-@7.51 202353.6693 231775.308 133645.9099 162153.5629 89520.55751 237567.4945 201786.7905 155311.0619 128747.616 131230.986 167416.9285 177989.5109 121829.8024 148665.8137 129114.859 159062.6814 177023.6366 135084.3625 181997.4294 91392.90324 225725.7915 95667.78772 104090.9863 144118.5932 75441.19541 140197.9875 101529.4808 166671.5519 PE 36:3; [M-H]-@6.60 154739.3405 203104.8958 103459.681 129316.9047 77183.73587 155106.4747 177721.0744 173445.638 105243.6462 71759.09683 98625.40428 157004.9363 91323.92484 111124.8641 106858.2874 125478.7051 126677.5654 120893.9308 126773.4743 87437.47183 188247.3635 75067.09206 60025.30062 131855.7681 78302.49091 114944.1116 64990.64302 117687.4358 PE 36:4; [M-H]-@6.39 49181.57426 101979.8687 27753.23292 32050.24535 30680.22694 63799.34705 65046.90553 78855.66624 59060.64863 22375.75085 67851.83667 56603.85199 30298.27525 57743.37407 33595.10749 53887.23385 81918.08597 58565.27722 111541.0141 31240.3145 57997.96911 59427.56193 37210.10095 78921.64613 27551.56824 37706.30986 39069.93955 29722.76621 PE 36:5; [M-H]-@5.96 21216.81352 33951.25098 6167.956386 6864.780115 6372.958636 13148.99165 36567.43406 9352.312789 9064.468402 13568.1838 10445.583 8906.488986 8288.634045 30251.29138 10861.09054 10705.32183 19443.07384 15938.90272 25148.53041 5292.38487 17342.37585 13074.87867 10370.7085 14793.82508 5560.470641 15438.63788 11925.99761 6670.571531 PE 37:4; [M-H]-@6.71 35626.14331 61853.33254 42842.0683 22511.6855 22822.29766 41067.07878 24710.48089 30147.68487 33704.76566 15055.29327 29999.88321 45566.12795 25335.09367 28890.42183 45733.26731 39841.07929 50980.13389 60481.38376 62800.63148 24764.01039 44854.60725 33493.89278 34133.85511 40712.16826 29106.23332 46201.97952 38559.50659 17981.80696 PE 38:1; [M-H]-@7.53 1285773.678 1329284.376 817588.7683 1301001.174 884123.7313 1003948.378 1202638.214 982851.2077 964911.0475 777039.63 811082.4757 1111632.093 1008465.574 923709.1948 713741.1864 900223.2122 1298371.34 722236.7762 762851.6336 687625.2835 1341012.714 762729.6002 607244.8818 734738.8498 608297.2878 1014436.861 713924.4372 975702.2967 PE 38:3; [M-H]-@6.70 389037.1942 453828.0382 273881.7314 472728.8422 319470.7508 313787.5593 436605.8066 378082.8729 351639.0553 248923.8996 233963.288 384602.3116 261620.8758 285026.3207 268925.7048 242112.0638 356317.092 230479.0562 186630.3559 230776.9096 435936.7942 170041.5701 161892.9081 215561.5634 205020.6913 283520.2718 218718.3447 239296.5898 PE 38:4; [M-H]-@7.05 252457.1579 423408.6816 319303.6034 276036.5184 234531.2603 426882.7797 325240.6181 259028.1457 231554.523 266346.153 365102.7952 281349.4437 243780.6381 314022.7776 294465.0233 360885.8579 361052.8485 384165.1227 685289.3355 240196.4597 321245.0378 376809.2781 262947.5438 444951.6977 222756.0425 302397.9799 230426.3929 312715.1315 PE 38:5; [M-H]-@6.59 185361.3437 328011.1455 137683.8335 192255.1743 104468.4464 242274.8747 240241.2447 164216.1037 111313.6619 109495.6731 161999.972 239819.1713 129309.6966 147659.6914 138893.6988 164985.0894 198047.5718 155012.2085 246205.0326 123455.2888 230157.6305 107408.5186 95951.66391 172905.8271 89032.55398 130612.505 114605.8135 191409.5147 PE 38:6; [M-H]-@6.18 34124.47842 72549.1185 53590.15003 20487.00076 43796.72835 55156.92421 68420.37304 35554.25097 41700.40204 38087.99401 66110.14718 34058.48328 39833.69707 63242.96751 33573.57822 57936.17629 51061.42379 20393.01104 78226.05929 34388.6943 64252.3011 45099.30508 34748.12523 53557.8 29027.1393 35829.68914 61281.54102 39009.98534 PE 40:2; [M-H]-@7.53 39702.96369 61481.84591 43302.04704 28973.78428 26621.47796 27653.83034 28828.69653 27358.17553 23869.46576 28387.22214 50890.43082 44419.95335 31104.67817 52845.43399 18009.69746 22362.7087 40926.92716 26174.5424 56193.57857 19964.84959 24591.40498 42251.20657 40829.86163 52079.05197 35317.78577 31184.2998 27547.16717 30815.83841 PE 40:5; [M-H]-@7.12 96961.39996 155909.2609 85840.87624 112665.8194 54044.48734 136503.6821 98159.08372 11765.50465 56983.61321 69797.88389 79209.48207 115218.2951 67591.37541 69588.20501 78423.33622 109516.2608 116408.1062 80656.22362 123898.6246 80435.37023 96756.77705 61099.31573 62218.97387 94569.76903 67291.6147 73378.36142 57955.73432 135977.62 PE 40:6; [M-H]-@6.95 71415.78685 119768.0371 90585.62158 57167.92437 30215.80214 110417.3081 72808.62937 89745.29564 51480.93019 80883.64334 98611.50164 55320.07721 36129.26727 102403.0513 71833.63888 121858.5381 67227.10108 75862.06125 160441.0511 74501.3767 91229.84142 78633.58541 95030.66861 87809.60324 43007.24227 61771.46622 104314.1062 90759.57553 PE 40:7; [M-H]-@6.47 9413.343496 29073.82593 14040.84916 11807.96178 10977.58827 14033.82572 17113.16511 18361.40018 12447.37514 8600.67658 8772.449613 10900.23284 8600.578375 11590.76737 9129.646584 16742.91583 16785.12787 8454.583156 17207.01371 15743.50224 17917.85565 13160.87935 11888.71308 13369.06193 9247.594856 7901.571741 19991.34969 18621.46439 PE 40:8; [M-H]-@5.98 5669.055842 6387.517584 4064.242317 12026.17537 3930.787096 8417.722708 8992.172869 4756.287798 2856.354298 1518.240559 1523.834318 3096.653575 4180.818054 6402.598036 1369.017035 4887.179327 9527.18552 3402.055019 1653.846126 1585.056091 8918.048254 1788.767344 2522.852837 3617.347325 1362.060865 4674.46978 2945.651411 7253.357259 PG 33:0; [M-H]-@6.07 31080.70125 29788.93064 19383.943 31407.8506 21701.16211 26507.70623 25252.41828 30424.35755 24558.77498 21381.97522 16481.04369 25104.51908 22366.53251 15366.2964 47111.76046 21035.04846 25544.34202 23040.53563 23054.05899 24138.84575 29324.0888 18018.63921 15422.83933 28025.73619 19953.61219 26765.77924 18735.41326 53508.18516 PG 34:2; [M-H]-@5.34 2463.759829 374.7103949 1090.227521 215.5731918 530.9149986 447.116596 649.9897786 665.5245954 522.6969174 384.3627346 319.2910242 732.153657 2201.983578 1351.575035 576.21169 1299.465499 1024.614878 644.6853536 1922.991376 499.1221555 571.6819919 881.7291132 1535.806635 632.9718854 268.9891494 295.7251268 837.0848263 466.857623 PG 35:0; [M-H]-@6.61 13781.86465 11829.17399 15511.33388 10211.94353 15580.02204 14356.61736 31975.75622 17684.12949 13753.58019 15022.15641 29403.7614 23761.20144 14189.28791 11669.43826 7196.99409 16793.43426 15633.29475 33127.05742 16512.81675 16302.93829 13940.5163 11751.50816 18839.43821 12121.39258 22190.90311 13228.11848 16654.09542 36280.13895 PG 36:0; [M-H]-@6.89 100964.5829 85708.3325 107698.162 99376.94002 116973.4942 145139.4631 102892.5209 111041.7794 110668.5678 114278.876 114279.4759 123710.0507 97243.36605 111112.7818 117106.3927 101511.0178 125390.4088 147364.9938 114653.6682 118215.7492 102805.5213 100462.6393 114197.5729 110492.2543 107048.0769 94992.47579 99429.71049 130659.8912 PG 36:2; [M-H]-@6.09 9253.395133 5447.084932 7331.822812 2288.620706 7994.999037 4152.515941 5552.659382 7377.055329 13816.67836 3401.34804 11029.61345 3521.772909 7806.101477 9735.728637 4680.266366 10956.74991 6505.207312 5864.086181 9062.58122 6447.989929 6680.025914 8987.896497 5244.231706 6067.691211 8885.243924 6829.431078 1617.731405 2971.498023 PG 36:4; [M-H]-@5.43 714.961002 1411.700069 732.2123478 1806.906157 918.631089 337.0596399 568.3944472 594.4965021 926.5697651 1563.500359 1308.355382 1711.986612 1546.514041 422.9394133 970.5682573 2586.82651 1657.013167 2453.886174 405.453741 255.21297 169.6663131 494.7043763 147.2435471 126.3863846 534.5212767 2277.868616 265.2344619 259.0168827 PG 38:4; [M-H]-@6.06 3390.506761 6586.931758 3353.907691 3155.314578 4078.541549 1358.750343 2689.261859 2784.349596 2997.385055 2133.584339 1641.801959 1517.886778 3897.760469 2252.317323 3279.466543 5998.007802 4627.233215 1236.043321 2845.147502 876.4721439 4215.911621 3454.082077 3219.016998 7369.698403 3134.138441 3118.83063 2522.36935 4588.421279 PI 34:1; [M-H]-@5.70 10264.19597 13121.72275 18857.88814 9391.4364 17763.1345 9426.094201 20451.11135 8198.923358 24060.66576 13963.1337 12520.80764 10673.69738 14771.44685 21965.33509 6729.280707 9152.11399 12781.58909 10115.18638 21568.93525 11733.86334 13470.62375 42956.66893 11624.55052 16542.19933 13392.57444 15396.14521 11363.50166 12015.89032 PI 34:2; [M-H]-@5.27 4242.652101 6819.073107 5904.098806 5251.605619 9130.59949 3503.51416 5071.515239 4616.188832 9878.818216 4609.909752 7197.000943 2934.942453 12131.7278 9245.707807 2183.668848 9746.091884 2907.123977 5901.537156 11390.89427 5055.382619 6102.575632 9452.973663 6998.144387 7381.149894 1841.395569 8721.971349 3654.869947 3374.492823 PI 35:1; [M-H]-@5.91 9298.46109 22011.78174 15180.56806 9574.914423 17508.96217 17366.49982 13094.2647 9753.912009 14487.54384 11618.80625 17614.92401 11096.61594 17667.58842 14588.09637 9970.294501 10273.70774 11702.86926 15129.6147 12769.33884 9735.940252 11452.61062 17749.96253 15825.33834 8129.615626 9629.859457 8532.259463 11966.04373 14984.97796 PI 36:1; [M-H]-@6.24 34340.55753 59894.90395 35803.35874 36365.53478 46119.75226 48791.32052 46129.61678 41081.53357 38160.9046 25771.35437 41107.54385 34959.06799 42022.10256 38888.70184 35686.40158 44898.58653 43297.55867 52518.97779 47519.12266 40368.59001 75610.8699 49110.15919 43614.42658 34273.8252 23026.81989 51087.23031 32190.52665 48430.51474 PI 36:2; [M-H]-@5.89 43286.89751 56903.59859 74847.65459 58244.23034 65879.3751 58537.49165 63207.53592 46555.96538 72911.23651 42700.73845 66594.90961 43020.15967 73096.1896 72672.04694 51082.41804 42925.97855 42158.06074 61067.06445 90069.95885 45103.5316 53671.5314 112253.3147 76418.31955 55728.35752 51837.92498 73152.94971 56834.81773 53746.92882 PI 36:3; [M-H]-@5.39 5716.279293 17646.69988 13177.59363 9779.676814 17528.38963 14457.17729 17067.14865 8913.388756 18001.24231 4070.059044 26362.65329 6037.872921 25411.81242 20619.08609 9270.678966 9350.537708 17955.51555 17061.28806 20634.19487 9242.114823 11372.00451 30297.96153 15646.74887 13903.17344 12391.47451 12902.56489 9222.181633 11022.64613 PI 36:4; [M-H]-@5.24 7136.751017 7928.128453 7761.34934 6471.532112 11530.30382 6620.149531 9444.488761 5008.935155 16572.83585 4945.323999 14183.66032 6979.363756 18528.77964 12112.1137 6886.763197 8374.99587 8157.293132 7087.129313 14462.27009 6993.420247 10836.57041 18972.95889 5433.566085 12262.53747 10634.8365 7174.081941 5250.450621 8702.576537 PI 38:3; [M-H]-@6.09 56718.06284 90963.24551 93936.60831 76637.27624 83045.67386 68354.26036 88622.74984 68291.10352 83963.46919 37446.12276 70095.07621 59457.64182 97921.09915 75305.18227 46997.96412 38992.99749 57571.98759 61660.73462 93008.14969 47114.39547 66354.83463 102270.027 78583.25879 73973.03397 54547.03545 74938.79307 59866.13178 63864.76491 PI 38:4; [M-H]-@5.90 200061.3252 258946.8611 304549.937 211074.6657 274422.4746 212872.2887 282466.5572 201364.7907 277454.0748 187982.5457 248113.0199 197781.8684 286911.8648 330227.2568 237492.1092 125015.1261 222060.0896 265136.0645 318969.9676 203237.7872 267474.5719 445616.0922 312975.5359 328168.9949 228951.7626 297954.0303 262604.2219 175785.1163 PI 38:5; [M-H]-@5.40 26130.54772 44884.50684 37666.32349 26354.04831 42183.67432 18434.11388 43482.34897 25058.18024 32434.46527 24586.36 40917.53771 25443.55537 49862.58508 58199.65531 25932.92771 24082.45292 33882.4882 22339.20292 47593.43208 17557.0434 30395.73459 71075.66437 35977.02391 32100.52611 23467.64874 33547.84463 27475.83475 20862.81625 PI 40:4; [M-H]-@6.31 6366.450222 19889.2257 47477.65981 12189.36799 33475.89394 19380.124 7123.944185 14662.61088 336.578081 8096.638905 4890.095115 5495.082356 16700.50228 5677.59941 4331.972894 2248.219483 10442.53518 15167.03518 10371.5427 3871.481927 3044.694068 13645.25168 8277.644377 22762.67623 21289.15203 8295.101366 6132.107055 3881.040472 PI 40:5; [M-H]-@5.95 32079.99341 42940.52604 50202.31351 24755.56505 39330.423 31969.0722 38594.04722 28509.86525 43492.28177 18766.10324 30029.28461 30875.4541 47742.35109 48029.56139 28577.2221 22352.31376 34919.62681 38552.36931 48541.02782 32438.1969 31806.98509 65562.20745 46739.96517 38557.73297 29787.18207 50329.81688 36776.10438 29276.7918 PI 40:6; [M-H]-@5.80 7163.091496 16002.87733 8287.114537 4053.955747 3564.248959 6785.950199 5150.901424 6921.077027 11484.5081 4797.66976 8823.12473 7361.654852 10785.60596 8035.389721 4671.017503 2252.313204 5804.116026 5889.755678 8158.898738 4191.930146 5242.983157 9576.06612 8747.54197 6081.214213 8456.014254 6057.847967 17867.76901 7202.471491 lysoPE 16:0; [M-H]-@1.72 69844.80841 71921.21309 70998.06721 48134.71256 48963.49374 56186.88598 77135.84612 58620.56637 28714.53488 30722.54593 19647.10174 35107.24923 44407.79314 50504.39564 31154.43694 43565.75958 48482.94413 62112.77195 72825.79763 19362.98851 36841.82875 60664.90181 24144.75907 77410.25331 50827.08271 28929.17542 44845.9823 19525.75008 lysoPE 18:0; [M-H]-@2.48 131881.2283 147118.8367 98608.82793 93328.89645 61370.73987 179849.9075 117845.4668 79989.58641 34424.19542 36071.7467 56658.9878 85069.02492 47815.56231 66703.26461 67369.68468 113321.8299 109808.0813 189850.0954 168778.5149 50513.8517 60569.85577 86752.49035 81581.76906 161152.8791 70229.72918 45167.41868 81125.90055 81559.41659 lysoPE 18:1; [M-H]-@1.83 114888.7379 175850.4204 60342.60541 76253.36408 99752.2907 144479.8393 149352.463 84567.82065 59884.53866 30604.41148 80115.87711 75171.84887 55042.76203 89158.05117 78988.78589 100207.6115 110128.6227 162899.4994 136938.0889 63452.08221 111580.0222 108947.7678 42250.29518 131768.4887 52623.0947 44903.89053 90435.6027 37532.9366 lysoPE 18:2; [M-H]-@1.41 42580.01539 114354.5132 37512.23503 29040.38363 38810.37196 73876.58711 66569.69619 58172.03577 26422.18913 6763.166493 32285.82577 26977.98258 38518.24662 42025.6567 41960.09243 60229.78276 46177.84512 65823.01823 67873.86947 23469.45994 41765.66246 44016.36714 22812.05644 61005.28525 19787.0363 19540.65689 40075.53961 18157.70109 lysoPE 20:2; [M-H]-@2.09 2002.704246 3330.531157 3274.64745 1590.734208 786.7370785 1379.776055 4537.94986 2591.689225 711.3148988 1736.08785 1609.690654 2439.8626 1795.850782 1748.8869 3342.993722 2227.316208 109.5756754 703.5830342 758.0097574 2142.690507 1061.81446 1757.320529 1250.454179 450.1314595 1320.036603 1574.548764 1903.208339 3226.045966 lysoPE 20:3; [M-H]-@1.63 2469.310484 12994.02363 18746.15551 7053.944795 27634.06541 7400.370358 4495.336759 15286.20771 7748.839836 10953.57574 2783.32974 1280.351157 6149.587221 19955.93801 4756.307657 7620.211111 6755.547525 8261.994923 8890.155641 1690.88432 7857.644769 28309.95684 13057.54539 16491.23173 1907.16228 5737.5837 9438.799559 1885.850978 lysoPE 20:4; [M-H]-@1.39 41774.35867 88172.62154 41942.20932 42907.16971 63739.31636 54022.68291 66175.10272 38872.37333 37077.06959 14746.31599 36496.4063 34775.27139 34542.45649 41501.49668 36607.00746 58757.09411 46240.89789 68799.7361 91423.5426 25136.74683 41230.01018 60550.41582 24669.53898 64742.4733 20769.94952 9963.746063 39427.43717 24332.73435 lysoPE 22:4; [M-H]-@1.93 3555.747942 5159.377554 4476.004348 2298.421576 5927.425255 7292.184435 4964.551268 4407.759854 4293.087286 1237.429254 3621.907899 2555.016902 9009.108225 953.2890879 3333.13948 10738.07937 6032.434394 11034.37964 6452.241977 1684.304415 8616.951883 5085.689374 2649.336857 13701.44082 4885.827229 3676.939363 3963.355966 2203.784201 lysoPE 22:5; [M-H]-@1.53 27491.64784 59641.74123 15313.3885 38586.8835 16320.80879 29602.98415 41768.41458 27763.18485 11222.93263 813.8773248 9603.230306 14869.22924 15740.07636 12595.97519 19034.18382 34343.46848 35639.59882 23264.93164 34653.28073 10347.80523 21606.96274 21867.41206 18630.73917 23469.98904 7685.772597 6464.041644 14491.8803 14470.35047 plasmenyl-PE 32:0; [M-H]-@7.15 8365.645355 18802.89626 5370.782453 9697.984089 12769.36517 9244.78537 14741.60051 18774.17582 6488.327762 6760.437318 13013.42631 6872.367167 12437.50267 15129.87226 11261.74952 4414.088035 15806.97891 18252.06571 12235.53109 7530.402601 8784.904117 19994.42322 4454.167328 14831.47505 5295.818835 5399.419868 9657.792664 2897.924261 plasmenyl-PE 32:1; [M-H]-@6.64 13780.15353 23271.03239 11238.9741 19865.1428 21495.07172 15444.00999 14874.40109 11763.47493 20798.18179 2706.543163 15997.49539 11868.81549 23920.37064 21071.92466 8316.045879 13661.29851 18574.01078 20856.87201 31716.66172 15524.74933 18261.08301 16236.27245 15122.67652 15101.32751 10766.11402 13629.47547 12144.9067 10903.07954 plasmenyl-PE 34:0; [M-H]-@7.22 90029.98914 64632.24823 43079.19439 63249.73622 29481.09354 82365.68632 111995.8127 80955.02992 85805.46641 50709.50814 49470.23471 53405.35825 55139.47905 87262.19875 94342.76532 61739.3799 52295.96452 83615.39489 58994.7976 55680.46031 98697.1638 56228.17082 22576.99084 80235.46251 48435.66638 63294.61579 41686.38401 56974.03637 plasmenyl-PE 34:1; [M-H]-@7.24 35531.72001 63849.93796 30335.58033 45169.77789 39224.75507 54153.18814 51305.84907 38387.879 66406.99936 40066.93839 45424.57342 27928.25627 56610.30092 80755.55178 41690.33047 36034.2487 33098.49908 47085.30735 54197.95676 47664.47891 68358.31754 74533.7534 56509.20151 55436.42495 27626.25045 48381.79954 34494.20541 41430.92576 plasmenyl-PE 34:2; [M-H]-@6.79 37723.97726 59490.72699 39654.15951 41243.52311 38448.37502 53068.27187 52854.55759 24655.978 75579.22158 29615.10714 50745.66592 24846.8199 55003.40022 70227.58652 34402.26507 40557.00422 23365.49231 57899.36086 48804.94931 30927.89944 48500.83589 51992.9339 48169.13186 42573.83253 33691.88195 34348.61614 22589.47131 30746.79464 plasmenyl-PE 34:3; [M-H]-@6.54 1536.659405 8239.456403 2786.720726 2628.385311 6195.378104 4553.194207 2788.085956 6531.054961 4250.89147 3469.837924 6137.999204 6496.409988 9194.112995 7196.793566 2107.51739 9983.36058 10825.02938 12114.48885 8298.535853 2931.49801 3969.859342 7349.200095 6480.064391 3930.680635 5943.277599 4492.939914 4215.583403 2372.407598 plasmenyl-PE 36:0; [M-H]-@7.32 40202.01617 46863.75284 36356.08137 52733.79518 53467.93815 53910.73226 52271.53608 63952.3983 46969.97158 51469.5839 51988.87384 42633.27271 45446.1722 63692.86826 37570.46516 43357.10105 58997.43901 72375.6511 58936.51894 30160.03455 50133.32547 75164.49799 44094.75335 50469.2248 34545.32927 46788.84775 39580.36556 32580.63721 plasmenyl-PE 36:1; [M-H]-@7.76 52894.44294 59836.38928 40632.07453 54556.99282 46105.40889 65738.25944 67812.09505 39165.17497 87635.84716 41139.7943 73486.21856 58557.59235 56132.75597 90099.37952 38599.53506 52482.19261 71917.91573 53190.71166 61364.6128 61110.21507 52298.89196 80295.4211 54122.38982 42727.18443 34972.41665 43811.52028 34418.29695 35763.7305 plasmenyl-PE 36:4; [M-H]-@6.71 199061.0562 293124.3304 133941.8613 213773.086 116531.5676 162734.8462 204602.2584 178079.4599 314111.6954 85566.75269 155631.211 148628.478 167975.9638 236493.974 164199.8785 124021.5261 157535.7181 152269.4546 196721.3178 110924.2208 269302.8603 123961.6353 135137.5247 162287.2987 84811.4832 103921.3259 111476.8293 124457.5835 plasmenyl-PE 36:5; [M-H]-@6.37 32387.20781 59488.86165 41741.99457 28469.67431 56345.74359 18285.16736 57274.96703 25067.18477 44346.87237 23537.84522 15902.63525 15043.29607 58755.06498 41856.67161 23888.20774 17908.21372 32350.53121 25496.52762 38777.89703 14856.38861 18865.78262 53285.12129 38627.25837 28313.34875 33539.87095 30668.5798 34594.19191 8937.243 plasmenyl-PE 38:1; [M-H]-@8.28 1008502.838 10133.32607 1168346.11 1316474.403 3141.011932 816382.7538 1010723.073 912597.7111 996903.7046 1948.628912 1120847.903 1262011.793 985212.0073 6485.731521 12274.42432 3200.120365 893107.4374 854187.2703 3460.012861 1088945.843 1013814.358 1046148.746 988581.6858 4045.749448 989018.8299 1202755.058 717474.0177 968081.6171 plasmenyl-PE 38:2; [M-H]-@7.35 52830.3711 63220.00533 62106.39173 68953.12973 39378.25176 79873.68392 67032.23716 75779.14373 72130.44709 48830.22419 73622.13464 51876.12155 67629.02008 79611.75053 43115.20634 73906.46197 71978.40578 68718.43704 81204.44931 53967.26026 63788.87202 69769.58789 46518.99887 41542.52806 43295.0233 25578.31792 72017.34823 66828.05134 plasmenyl-PE 38:3; [M-H]-@7.59 93543.91756 24294.18009 46817.4115 58742.36076 50586.9308 67521.19071 59090.91082 94261.27533 101235.7793 30672.74534 7151.057487 28153.22439 134374.7382 30543.79376 58074.92735 103125.0789 21873.85066 48134.61385 69022.54792 20827.5488 39082.63341 73284.60917 62360.60425 108070.9444 45098.2406 79832.33686 77051.73646 47625.99631 plasmenyl-PE 38:4; [M-H]-@6.96 141424.7684 173031.255 177638.9346 126977.7431 91712.16724 135163.972 166582.251 152231.1459 165071.4287 107946.9329 127566.3831 110359.0628 135189.2314 67032.68506 97616.68643 108095.9191 95816.62028 115666.1755 140950.5863 64323.09068 162989.4045 78004.51608 90376.16077 60612.82981 55064.08157 61266.74757 94437.87813 109451.5703 plasmenyl-PE 38:5; [M-H]-@6.82 199360.7395 258507.1117 188860.6769 199800.4746 203797.7869 227522.183 209884.2795 213942.7822 330972.1996 152530.8401 227236.8231 134982.265 223932.5188 285363.8679 159708.0333 167122.3667 195992.97 202674.0976 263716.0315 160049.4396 224081.6777 228082.3934 248456.5137 192485.6163 112136.2232 155718.1636 174618.4938 142305.5827 plasmenyl-PE 38:6; [M-H]-@6.61 110764.6784 125615.4392 58324.58402 89358.00367 45035.97496 76586.47418 114985.9632 91333.8989 93912.12884 52488.36365 76081.11417 77120.47965 74968.43713 66922.55634 53641.9574 53285.04058 66562.19317 65314.27412 65045.3827 58338.8394 90460.44016 55385.10758 79005.23053 50001.72504 33350.66498 54304.13502 64036.15357 54618.07132 plasmenyl-PE 40:4; [M-H]-@7.57 69908.1239 102849.9562 62170.64992 59281.12308 80931.28991 75848.54194 76551.10559 100128.1252 121724.5453 55461.14746 84755.39016 48050.48995 104576.4349 78566.7546 51272.77918 54924.024 68617.76415 78162.86933 101306.4951 61214.99551 83326.50617 70639.77589 62661.69603 77448.0612 26478.38045 57601.29722 67971.21752 37564.52387 plasmenyl-PE 40:5; [M-H]-@7.41 52643.14875 55115.67689 39419.40241 79230.36012 41711.69337 62009.5795 66908.97965 39445.00291 79300.44166 39337.16322 47549.45452 16064.48599 73382.65848 47116.03229 43761.16742 36959.31381 53722.95888 57143.44783 48624.538 41051.1335 72138.52733 65768.73458 24797.63653 40603.72897 26352.0812 54046.43421 41706.45222 82142.35333 plasmenyl-PE 40:6; [M-H]-@7.25 34016.1076 35473.24837 47205.66454 85589.18294 147354.3776 27136.82254 42399.57641 49371.54315 64805.40246 76688.60806 19618.14401 15765.98536 69905.24137 56026.30459 34667.10345 73130.2696 26935.95136 24621.61543 79253.45036 33994.29704 34777.4845 71324.88174 52706.33188 57393.51128 70043.22347 61506.21399 44287.2582 17440.25739 plasmenyl-PE 42:5; [M-H]-@7.94 1095211.792 932312.6492 1115093.095 6301.400465 3669.432291 1013033.326 2816.834077 1024877.263 8300.969925 11405.39939 8697.949786 1462953.943 1066992.325 1012862.932 1045664.134 1102356.364 683.3502185 939618.6041 1255537.114 10406.59814 1167522.287 1083963.411 926699.5018 6623.493184 994566.4078 4273.647756 829560.463 1095772.704 plasmenyl-PE 42:6; [M-H]-@7.82 2804.174608 7102.151249 9375.518204 902.1001444 11355.12164 2444.506444 11315.25746 1706.04348 3729.891246 4495.37898 911.8854994 2350.885071 3035.332097 4973.204352 1558.773367 2911.549325 8305.280995 8653.203657 12652.15795 9151.902972 9004.431291 4685.362676 1231.856105 10629.56609 359.7984774 10791.94262 3897.56622 3859.977166 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 72:3; [M-2H](2-)@6.91 6.91 CL(72:3) LipidMaps Bulk ID CL 76:5; [M-2H](2-)@7.09 7.09 CL(76:5) LipidMaps Bulk ID CerP 32:1; [M-H]-@5.21 5.21 CerP 32:1 LipidBLAST CerP 34:1; [M-H]-@5.95 5.95 CerP 34:1 LipidBLAST CerP 34:2; [M-H]-@5.45 5.45 CerP 34:2 LipidBLAST CerP 35:1; [M-H]-@6.29 6.29 CerP 35:1 LipidBLAST CerP 41:1; [M-H]-@8.23 8.23 CerP 41:1 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 N-(15Z-tetracosenoyl)-sphing-4-enine; [M-H]-@8.45 8.45 5283568 N-(docosanoyl)-sphing-4-enine; [M-H]-@8.46 8.46 5283567 N-(dodecanoyl)-sphing-4-enine; [M-H]-@5.51 5.51 5283562 N-(eicosanoyl)-sphing-4-enine; [M-H]-@7.96 7.96 5283566 N-(hexadecanoyl)-sphing-4-enine; [M-H]-@6.85 6.85 5283564 N-(octadecanoyl)-sphing-4-enine; [M-H]-@7.44 7.44 5283565 N-(tetracosanoyl)-sphing-4-enine; [M-H]-@8.94 8.94 5283571 PA 34:1; [M-H]-@6.87 6.87 PA(34:1) LipidMaps Bulk ID PA 34:2; [M-H]-@6.46 6.46 PA(34:2) LipidMaps Bulk ID PA 34:3; [M-H]-@6.04 6.04 PA(34:3) LipidMaps Bulk ID PA 35:1; [M-H]-@6.95 6.95 PA(35:1) LipidMaps Bulk ID PA 36:1; [M-H]-@7.52 7.52 PA(36:1) LipidMaps Bulk ID PA 36:2; [M-H]-@6.89 6.89 PA(36:2) LipidMaps Bulk ID PA 36:3; [M-H]-@6.50 6.5 PA(36:3) LipidMaps Bulk ID PA 36:4; [M-H]-@6.29 6.29 PA(36:4) LipidMaps Bulk ID PA 36:5; [M-H]-@5.99 5.99 PA(36:5) LipidMaps Bulk ID PA 38:4; [M-H]-@7.02 7.02 PA(38:4) LipidMaps Bulk ID PA 38:5; [M-H]-@6.51 6.51 PA(38:5) LipidMaps Bulk ID PA 38:6; [M-H]-@6.27 6.27 PA(38:6) LipidMaps Bulk ID PA 40:6; [M-H]-@6.51 6.51 PA(40:6) LipidMaps Bulk ID PC 30:1; [M-Ac-H]-@5.60 5.6 PC(30:1) 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]-@6.36 6.36 PC(32:1) LipidMaps Bulk ID PC 32:2; [M-Ac-H]-@5.80 5.8 PC(32:2) LipidMaps Bulk ID PC 33:2; [M-Ac-H]-@6.15 6.15 PC(33:2) LipidMaps Bulk ID PC 34:1; [M-Ac-H]-@6.88 6.88 PC(34:1) LipidMaps Bulk ID PC 34:2; [M-Ac-H]-@6.42 6.42 PC(34:2) LipidMaps Bulk ID PC 34:3; [M-Ac-H]-@6.00 6 PC(34:3) LipidMaps Bulk ID PC 34:4; [M-Ac-H]-@5.75 5.75 PC(34:4) LipidMaps Bulk ID PC 35:0; [M-Ac-H]-@7.73 7.73 PC(35:0) LipidMaps Bulk ID PC 35:1; [M-Ac-H]-@7.23 7.23 PC(35:1) LipidMaps Bulk ID PC 35:2; [M-Ac-H]-@6.74 6.74 PC(35:2) LipidMaps Bulk ID PC 36:1; [M-Ac-H]-@7.55 7.55 PC(36:1) LipidMaps Bulk ID PC 36:2; [M-Ac-H]-@7.02 7.02 PC(36:2) LipidMaps Bulk ID PC 36:3; [M-Ac-H]-@6.60 6.6 PC(36:3) LipidMaps Bulk ID PC 36:4; [M-Ac-H]-@6.30 6.3 PC(36:4) LipidMaps Bulk ID PC 36:5; [M-Ac-H]-@5.93 5.93 PC(36:5) LipidMaps Bulk ID PC 37:1; [M-Ac-H]-@7.83 7.83 PC(37:1) LipidMaps Bulk ID PC 37:2; [M-Ac-H]-@7.37 7.37 PC(37:2) LipidMaps Bulk ID PC 37:4; [M-Ac-H]-@6.68 6.68 PC(37:4) LipidMaps Bulk ID PC 38:0; [M-Ac-H]-@8.18 8.18 PC(38:0) LipidMaps Bulk ID PC 38:1; [M-Ac-H]-@7.67 7.67 PC(38:1) LipidMaps Bulk ID PC 38:2; [M-Ac-H]-@7.73 7.73 PC(38:2) LipidMaps Bulk ID PC 38:3; [M-Ac-H]-@7.35 7.35 PC(38:3) LipidMaps Bulk ID PC 38:4; [M-Ac-H]-@6.96 6.96 PC(38:4) LipidMaps Bulk ID PC 38:5; [M-Ac-H]-@6.56 6.56 PC(38:5) LipidMaps Bulk ID PC 38:6; [M-Ac-H]-@6.21 6.21 PC(38:6) LipidMaps Bulk ID PC 38:7; [M-Ac-H]-@5.60 5.6 PC(38:7) LipidMaps Bulk ID PC 39:5; [M-Ac-H]-@6.72 6.72 PC(39:5) LipidMaps Bulk ID PC 40:5; [M-Ac-H]-@7.02 7.02 PC(40:5) LipidMaps Bulk ID PC 40:6; [M-Ac-H]-@6.82 6.82 PC(40:6) LipidMaps Bulk ID PC 40:7; [M-Ac-H]-@6.37 6.37 PC(40:7) LipidMaps Bulk ID PC 41:6; [M-Ac-H]-@7.09 7.09 PC(41:6) LipidMaps Bulk ID PE 32:0; [M-H]-@6.80 6.8 PE(32:0) LipidMaps Bulk ID PE 32:1; [M-H]-@6.27 6.27 PE(32:1) LipidMaps Bulk ID PE 33:1; [M-H]-@6.63 6.63 PE(33:1) LipidMaps Bulk ID PE 34:1; [M-H]-@6.90 6.9 PE(34:1) LipidMaps Bulk ID PE 34:2; [M-H]-@6.49 6.49 PE(34:2) LipidMaps Bulk ID PE 34:3; [M-H]-@6.06 6.06 PE(34:3) LipidMaps Bulk ID PE 35:0; [M-H]-@7.66 7.66 PE(35:0) LipidMaps Bulk ID PE 35:1; [M-H]-@6.61 6.61 PE(35:1) LipidMaps Bulk ID PE 35:2; [M-H]-@6.73 6.73 PE(35:2) LipidMaps Bulk ID PE 35:4; [M-H]-@6.11 6.11 PE(35:4) LipidMaps Bulk ID PE 36:0; [M-H]-@7.93 7.93 PE(36:0) LipidMaps Bulk ID PE 36:1; [M-H]-@7.51 7.51 PE(36:1) LipidMaps Bulk ID PE 36:3; [M-H]-@6.60 6.6 PE(36:3) LipidMaps Bulk ID PE 36:4; [M-H]-@6.39 6.39 PE(36:4) LipidMaps Bulk ID PE 36:5; [M-H]-@5.96 5.96 PE(36:5) LipidMaps Bulk ID PE 37:4; [M-H]-@6.71 6.71 PE(37:4) LipidMaps Bulk ID PE 38:1; [M-H]-@7.53 7.53 PE(38:1) LipidMaps Bulk ID PE 38:3; [M-H]-@6.70 6.7 PE(38:3) LipidMaps Bulk ID PE 38:4; [M-H]-@7.05 7.05 PE(38:4) LipidMaps Bulk ID PE 38:5; [M-H]-@6.59 6.59 PE(38:5) LipidMaps Bulk ID PE 38:6; [M-H]-@6.18 6.18 PE(38:6) LipidMaps Bulk ID PE 40:2; [M-H]-@7.53 7.53 PE(40:2) LipidMaps Bulk ID PE 40:5; [M-H]-@7.12 7.12 PE(40:5) LipidMaps Bulk ID PE 40:6; [M-H]-@6.95 6.95 PE(40:6) LipidMaps Bulk ID PE 40:7; [M-H]-@6.47 6.47 PE(40:7) LipidMaps Bulk ID PE 40:8; [M-H]-@5.98 5.98 PE(40:8) LipidMaps Bulk ID PG 33:0; [M-H]-@6.07 6.07 PG(33:0) LipidMaps Bulk ID PG 34:2; [M-H]-@5.34 5.34 PG(34:2) LipidMaps Bulk ID PG 35:0; [M-H]-@6.61 6.61 PG(35:0) LipidMaps Bulk ID PG 36:0; [M-H]-@6.89 6.89 PG(36:0) LipidMaps Bulk ID PG 36:2; [M-H]-@6.09 6.09 PG(36:2) LipidMaps Bulk ID PG 36:4; [M-H]-@5.43 5.43 PG(36:4) LipidMaps Bulk ID PG 38:4; [M-H]-@6.06 6.06 PG(38:4) LipidMaps Bulk ID PI 34:1; [M-H]-@5.70 5.7 PI(34:1) LipidMaps Bulk ID PI 34:2; [M-H]-@5.27 5.27 PI(34:2) LipidMaps Bulk ID PI 35:1; [M-H]-@5.91 5.91 PI(35:1) LipidMaps Bulk ID PI 36:1; [M-H]-@6.24 6.24 PI(36:1) LipidMaps Bulk ID PI 36:2; [M-H]-@5.89 5.89 PI(36:2) LipidMaps Bulk ID PI 36:3; [M-H]-@5.39 5.39 PI(36:3) LipidMaps Bulk ID PI 36:4; [M-H]-@5.24 5.24 PI(36:4) LipidMaps Bulk ID PI 38:3; [M-H]-@6.09 6.09 PI(38:3) LipidMaps Bulk ID PI 38:4; [M-H]-@5.90 5.9 PI(38:4) LipidMaps Bulk ID PI 38:5; [M-H]-@5.40 5.4 PI(38:5) LipidMaps Bulk ID PI 40:4; [M-H]-@6.31 6.31 PI(40:4) LipidMaps Bulk ID PI 40:5; [M-H]-@5.95 5.95 PI(40:5) LipidMaps Bulk ID PI 40:6; [M-H]-@5.80 5.8 PI(40:6) LipidMaps Bulk ID lysoPE 16:0; [M-H]-@1.72 1.72 LPE(16:0) LipidMaps Bulk ID lysoPE 18:0; [M-H]-@2.48 2.48 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]-@1.41 1.41 LPE(18:2) LipidMaps Bulk ID lysoPE 20:2; [M-H]-@2.09 2.09 LPE(20:2) LipidMaps Bulk ID lysoPE 20:3; [M-H]-@1.63 1.63 LPE(20:3) LipidMaps Bulk ID lysoPE 20:4; [M-H]-@1.39 1.39 LPE(20:4) LipidMaps Bulk ID lysoPE 22:4; [M-H]-@1.93 1.93 LPE(22:4) LipidMaps Bulk ID lysoPE 22:5; [M-H]-@1.53 1.53 LPE(22:5) LipidMaps Bulk ID plasmenyl-PE 32:0; [M-H]-@7.15 7.15 PE(P-32:0) LipidMaps Bulk ID plasmenyl-PE 32:1; [M-H]-@6.64 6.64 PE(P-32:1) LipidMaps Bulk ID plasmenyl-PE 34:0; [M-H]-@7.22 7.22 PE(P-34:0) LipidMaps Bulk ID plasmenyl-PE 34:1; [M-H]-@7.24 7.24 PE(P-34:1) LipidMaps Bulk ID plasmenyl-PE 34:2; [M-H]-@6.79 6.79 PE(P-34:2) LipidMaps Bulk ID plasmenyl-PE 34:3; [M-H]-@6.54 6.54 PE(P-34:3) LipidMaps Bulk ID plasmenyl-PE 36:0; [M-H]-@7.32 7.32 PE(P-36:0) LipidMaps Bulk ID plasmenyl-PE 36:1; [M-H]-@7.76 7.76 PE(P-36:1) LipidMaps Bulk ID plasmenyl-PE 36:4; [M-H]-@6.71 6.71 PE(P-36:4) LipidMaps Bulk ID plasmenyl-PE 36:5; [M-H]-@6.37 6.37 PE(P-36:5) LipidMaps Bulk ID plasmenyl-PE 38:1; [M-H]-@8.28 8.28 PE(P-38:1) LipidMaps Bulk ID plasmenyl-PE 38:2; [M-H]-@7.35 7.35 PE(P-38:2) LipidMaps Bulk ID plasmenyl-PE 38:3; [M-H]-@7.59 7.59 PE(P-38:3) LipidMaps Bulk ID plasmenyl-PE 38:4; [M-H]-@6.96 6.96 PE(P-38:4) LipidMaps Bulk ID plasmenyl-PE 38:5; [M-H]-@6.82 6.82 PE(P-38:5) LipidMaps Bulk ID plasmenyl-PE 38:6; [M-H]-@6.61 6.61 PE(P-38:6) LipidMaps Bulk ID plasmenyl-PE 40:4; [M-H]-@7.57 7.57 PE(P-40:4) LipidMaps Bulk ID plasmenyl-PE 40:5; [M-H]-@7.41 7.41 PE(P-40:5) LipidMaps Bulk ID plasmenyl-PE 40:6; [M-H]-@7.25 7.25 PE(P-40:6) LipidMaps Bulk ID plasmenyl-PE 42:5; [M-H]-@7.94 7.94 plasmenyl-PE 42:5 LipidBLAST plasmenyl-PE 42:6; [M-H]-@7.82 7.82 PE(P-42:6) LipidMaps Bulk ID METABOLITES_END #END