#METABOLOMICS WORKBENCH araskind_20170802_132352 DATATRACK_ID:1180 STUDY_ID:ST000841 ANALYSIS_ID:AN001351 PROJECT_ID:PR000599 VERSION 1 CREATED_ON August 9, 2017, 11:32 am #PROJECT PR:PROJECT_TITLE Prelim data for NIH exercise consortium PR:PROJECT_TYPE MS analysis PR:PROJECT_SUMMARY Plasma samples before and after exercise training in obese adults PR:INSTITUTE University of Michigan PR:DEPARTMENT Kinesiology PR:LABORATORY Horowitz Lab PR:LAST_NAME Horowitz PR:FIRST_NAME Jeff PR:ADDRESS Ann Arbor, MI PR:EMAIL jeffhoro@umich.edu PR:PHONE 734-647-3354 #STUDY ST:STUDY_TITLE Metabolomics of muscle in insulin sensitive and resistant obese indivduals. ST:STUDY_TYPE MS analysis ST:STUDY_SUMMARY "OC" samples: muscle biopsy samples collected from insulin sensitive / insulin ST:STUDY_SUMMARY resistant obese indivduals before undergoing a hyperinsulinemic-euglycemic ST:STUDY_SUMMARY clamp. Subjects were previously categorized for the rate of fatty acid release ST:STUDY_SUMMARY from adipose tissue into the bloodstream as a measure of insuline resistance. ST:STUDY_SUMMARY Low-FA, Med-FA, and High-FA stand for low, medium, and high rate of release. 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 #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 SU0013583 S00020427 Subject group:LOW-FA SUBJECT_SAMPLE_FACTORS SU0013584 S00020428 Subject group:LOW-FA SUBJECT_SAMPLE_FACTORS SU0013585 S00020429 Subject group:MID-FA SUBJECT_SAMPLE_FACTORS SU0013586 S00020430 Subject group:LOW-FA SUBJECT_SAMPLE_FACTORS SU0013587 S00020431 Subject group:LOW-FA SUBJECT_SAMPLE_FACTORS SU0013588 S00020432 Subject group:MID-FA SUBJECT_SAMPLE_FACTORS SU0013589 S00020433 Subject group:LOW-FA SUBJECT_SAMPLE_FACTORS SU0013590 S00020434 Subject group:LOW-FA SUBJECT_SAMPLE_FACTORS SU0013591 S00020435 Subject group:MID-FA SUBJECT_SAMPLE_FACTORS SU0013592 S00020436 Subject group:LOW-FA SUBJECT_SAMPLE_FACTORS SU0013593 S00020437 Subject group:MID-FA SUBJECT_SAMPLE_FACTORS SU0013594 S00020438 Subject group:MID-FA SUBJECT_SAMPLE_FACTORS SU0013595 S00020439 Subject group:HIGH-FA SUBJECT_SAMPLE_FACTORS SU0013596 S00020440 Subject group:HIGH-FA SUBJECT_SAMPLE_FACTORS SU0013597 S00020441 Subject group:MID-FA SUBJECT_SAMPLE_FACTORS SU0013598 S00020442 Subject group:LOW-FA SUBJECT_SAMPLE_FACTORS SU0013599 S00020443 Subject group:MID-FA SUBJECT_SAMPLE_FACTORS SU0013600 S00020444 Subject group:MID-FA SUBJECT_SAMPLE_FACTORS SU0013601 S00020445 Subject group:HIGH-FA SUBJECT_SAMPLE_FACTORS SU0013602 S00020446 Subject group:MID-FA SUBJECT_SAMPLE_FACTORS SU0013603 S00020447 Subject group:HIGH-FA SUBJECT_SAMPLE_FACTORS SU0013604 S00020448 Subject group:HIGH-FA SUBJECT_SAMPLE_FACTORS SU0013605 S00020449 Subject group:HIGH-FA SUBJECT_SAMPLE_FACTORS SU0013606 S00020450 Subject group:HIGH-FA SUBJECT_SAMPLE_FACTORS SU0013607 S00020451 Subject group:HIGH-FA SUBJECT_SAMPLE_FACTORS SU0013608 S00020452 Subject group:HIGH-FA SUBJECT_SAMPLE_FACTORS SU0013609 S00020453 Subject group:N/A SUBJECT_SAMPLE_FACTORS SU0013610 S00020454 Subject group:N/A #COLLECTION CO:COLLECTION_SUMMARY - #TREATMENT TR:TREATMENT_SUMMARY - #SAMPLEPREP SP:SAMPLEPREP_SUMMARY - SP:SAMPLEPREP_PROTOCOL_FILENAME A003_-_Untargeted_Metabolomics.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 counts norm MS_METABOLITE_DATA_START Samples S00020427 S00020428 S00020429 S00020430 S00020431 S00020432 S00020433 S00020434 S00020435 S00020436 S00020437 S00020438 S00020439 S00020440 S00020441 S00020442 S00020443 S00020444 S00020445 S00020446 S00020447 S00020448 S00020449 S00020450 S00020451 S00020452 S00020453 S00020454 Factors Subject group:LOW-FA Subject group:LOW-FA Subject group:MID-FA Subject group:LOW-FA Subject group:LOW-FA Subject group:MID-FA Subject group:LOW-FA Subject group:LOW-FA Subject group:MID-FA Subject group:LOW-FA Subject group:MID-FA Subject group:MID-FA Subject group:HIGH-FA Subject group:HIGH-FA Subject group:MID-FA Subject group:LOW-FA Subject group:MID-FA Subject group:MID-FA Subject group:HIGH-FA Subject group:MID-FA Subject group:HIGH-FA Subject group:HIGH-FA Subject group:HIGH-FA Subject group:HIGH-FA Subject group:HIGH-FA Subject group:HIGH-FA Subject group:N/A Subject group:N/A Arachidonic acid 57906.98316 91082.41695 40391.86054 27103.61524 58521.56952 16464.32983 80558.821 48260.02393 30354.97064 33586.63876 38589.72199 73270.24849 27900.65329 209190.5767 36845.55355 50411.03677 66274.55154 66417.23115 76381.32691 75807.79019 66768.9233 71019.64496 65096.9513 39152.46815 29449.28149 30203.96074 69070.50514 40149.00936 CL 66:1; [M-2H](2-)@6.22 2005.085557 3915.691861 5840.289837 985.0641256 832.6632737 2418.777322 1471.602138 2231.278374 1441.262885 1331.689899 1963.688353 8347.642759 2457.349918 3701.795493 1784.470517 1089.331025 5614.153057 2940.653639 4672.84706 1820.645157 1780.929041 6826.937515 1164.411349 911.6787837 2889.013106 3464.716679 9331.965355 2247.350154 CL 70:1; [M-2H](2-)@6.02 5794.468334 2856.222473 1949.820606 922.1376003 2347.961651 595.9288566 983.4698918 1954.261573 3915.77924 1306.907171 2548.569856 2860.622419 1420.514243 1018.830164 268.8329714 1626.557514 2178.405087 4909.139766 134.0405689 1601.570193 2054.71478 2186.234271 2923.131953 201.3359387 3128.666558 5676.272456 5834.832684 3832.852842 CL 70:5; [M-2H](2-)@5.92 4888.51453 5022.522589 3546.304234 2428.013988 4248.115352 1755.912502 2912.396083 2660.318891 1977.755989 1161.016169 2340.816723 7836.743714 2609.256444 4580.877122 2151.01089 4805.306324 7539.565483 2400.078241 2840.5433 2236.260675 5468.194865 4043.464356 853.2701859 3123.498046 869.8492688 1687.901457 9847.541986 3396.339304 CL 70:6; [M-2H](2-)@9.10 1703.774349 2801.839516 5588.573378 3186.688733 3216.442551 2438.437881 1526.301295 5017.774161 1332.051447 2075.628965 1939.578962 2716.386224 893.8446325 2635.304378 1131.389674 747.0315908 2964.975692 1386.953385 4610.045888 1251.564322 2317.574171 2278.178628 1136.854469 1695.785535 3040.03643 1430.708955 4047.356273 693.1165609 CL 70:7; [M-2H](2-)@8.87 1683.393995 2248.56805 7295.394682 1246.915415 5520.17255 893.1937013 1874.175086 3830.526582 959.1252242 1709.936932 2537.885895 5621.184035 1348.519698 3630.817646 1525.923976 1137.318457 3543.474722 2130.974548 2905.677038 1098.757647 737.0187659 4490.150395 1322.752925 1052.830994 5794.000574 2531.082278 8991.601484 879.7748673 CL 72:5; [M-2H](2-)@9.51 4672.220965 4214.283622 3885.885188 3404.986325 6960.138551 1149.312894 2147.187759 5539.393226 4059.174999 2801.546314 543.7877047 8677.697491 1256.017823 3428.767162 4041.796709 4115.603746 4610.320948 4250.822494 2929.736259 3147.04872 3306.957842 5712.162257 3546.966793 4254.877569 4252.665613 2156.268582 10381.75787 2907.933616 CL 72:6; [M-2H](2-)@9.35 11505.41861 16518.0704 19896.07134 13826.15361 10655.12098 9485.085051 9962.484826 27582.15017 14231.39169 5846.248678 6969.642588 23229.26915 4086.075132 22055.1491 15887.95967 7795.894214 13449.48586 16751.3669 16622.8374 8314.288346 12489.38169 19752.1875 9084.168554 10286.64548 19308.96126 3271.802119 23345.92983 8200.411053 CL 72:7; [M-2H](2-)@9.15 30729.86116 24270.22228 37643.10596 29376.93816 40406.31831 19031.97187 25557.75341 49676.36145 29029.54253 15951.01551 25417.15178 34400.3637 16394.29835 35396.64444 25747.13578 28416.82026 59617.83093 35165.66137 28856.54024 24024.92815 41558.66566 52917.8728 26413.1577 22330.47925 24593.80392 18696.42743 45077.82353 17098.89009 CL 72:8; [M-2H](2-)@8.94 77597.14015 67285.37396 84505.30534 59694.84021 128154.4094 44331.06406 54297.94715 121270.3619 78045.40754 45965.72685 73870.50671 91202.10686 45808.39997 89875.31489 52978.06156 63022.75297 81084.922 79555.96558 68714.51114 67875.07996 58429.89323 100093.12 73647.88012 52203.35577 71888.0695 59436.2944 99374.93686 63538.95466 CL 72:9; [M-2H](2-)@8.79 1428.467627 3065.148483 3597.857202 4246.939896 5742.11966 1918.868011 1261.850162 8351.280848 4581.79248 1519.413868 2089.706023 5192.308714 1082.874434 6928.532741 3538.06867 2441.873246 5493.660461 3195.606541 5131.3383 2485.725449 2502.178601 3878.683057 2950.076932 2305.644911 2770.184748 2184.08853 4292.773861 2232.999848 CL 74:1; [M-2H](2-)@6.67 58726.23858 55851.95008 49802.54055 37865.89967 66969.19002 31512.60107 32866.30186 52462.37163 57439.85247 26325.19595 29716.06053 77276.89291 39465.59109 55695.50985 43556.76046 43685.49271 55252.37964 27497.89861 69293.66988 38865.33141 55151.60016 63361.2885 35635.11303 44344.31869 28244.92633 28093.74268 86163.55309 64149.02719 CL 74:7; [M-2H](2-)@6.10 61460.66208 110952.4761 31194.53384 14340.36983 73228.28019 23094.09092 23142.09962 38161.4919 36483.66607 12616.47757 21613.62553 95894.47464 34606.7932 58272.76525 12371.61943 56885.54276 66571.8795 23993.23651 45530.46917 27921.11622 72497.47415 76004.65643 17171.00673 36207.91227 18826.71445 20172.15266 72514.91359 72556.73564 CL 74:8; [M-2H](2-)@9.20 2734.660348 2763.462174 3475.207531 1253.167406 4413.439235 1818.319259 1300.34512 5298.024182 2587.867453 2105.079726 1599.163187 4713.295126 865.5105814 1598.722487 1821.737287 1887.441515 6113.069624 1842.967573 2510.040588 2969.794284 3945.327144 4457.487442 1956.696593 1627.828222 1465.531554 2958.10518 6030.528029 3217.09337 CL 74:9; [M-2H](2-)@9.04 3330.787917 2309.640298 3546.01091 2665.641246 2401.639999 450.2798493 861.7378137 3198.855948 2569.468285 1107.520375 1263.113148 2020.484705 1512.952179 3124.906262 2645.10341 2383.538775 2552.670552 3426.337291 3159.663435 1742.929985 1391.580803 2163.291356 1631.674073 1666.840387 1617.989415 575.2950771 2225.040265 1514.09362 CL 76:7; [M-2H](2-)@6.70 7630.044357 11350.50175 7199.610697 6613.255112 17190.48066 6722.260972 4745.057989 9577.06579 8187.261489 4820.240604 5121.056082 16498.10527 8463.066145 16252.97795 7303.931976 8112.980895 9218.991035 6598.989165 4106.5586 13329.47683 9301.160615 19879.22226 9038.649385 5584.35558 7157.328442 3144.687374 16799.72202 10227.45334 CL 78:3; [M-2H](2-)@6.10 3224.854611 952.4842095 2130.54655 1234.284351 2013.954616 537.1136527 2726.921038 1782.884173 1818.200853 1626.184692 2563.060619 4748.680758 1408.436771 1383.96322 1161.2458 2906.003686 1456.603113 2247.600301 1470.119005 989.3962487 1967.307156 1662.838275 1346.909957 459.1054716 1159.006218 1791.369603 426.1355011 4416.231778 CL 78:5; [M-2H](2-)@6.38 11308.31645 10066.49488 13374.40089 6776.721057 25189.3853 6692.866705 12029.89265 12363.67313 21331.58502 9014.439563 10570.37184 25238.86039 10456.83912 9178.826663 4972.859378 17233.05595 13124.72161 12710.81096 16077.77888 7056.425755 14218.77042 11218.66964 9668.914805 9488.074044 12307.98288 5753.315641 15103.84961 14794.91439 CL 82:13; [M-2H](2-)@6.29 13414.19829 10383.91137 18556.21939 9617.495533 22504.53893 6138.504057 10923.20962 23952.67833 17595.92244 7431.448586 9875.842166 12677.19387 10959.95123 11149.88782 4741.570418 13782.7183 15010.27138 17923.35988 7912.261286 12020.23593 19136.37315 15801.26172 8948.746641 10835.10112 7797.359621 6291.895953 25620.35239 11323.73794 CerP 34:1; [M-H]-@5.84 628.9728922 1901.295156 842.0358192 993.8288373 964.2140211 696.8372932 1325.324282 1223.397424 999.2415077 1399.062491 143.2819423 2147.930969 1984.409821 990.0793723 800.9405013 803.4330858 1544.449427 2105.379951 1088.670643 1242.920762 934.0942682 2166.088187 1474.236481 963.7209395 896.0750571 706.5225531 2276.928881 1295.653686 CerP 35:1; [M-H]-@6.15 290.8510655 2139.349749 1045.527766 621.7440491 2803.349191 622.2577736 1502.055288 1818.560461 1341.389408 1320.233237 834.1925389 652.1701817 1405.002061 351.5588907 1069.401389 949.2991186 1336.459649 1177.064983 1050.184556 768.2458354 507.0926884 846.5098818 1693.429768 254.0464048 4385.699176 4443.782362 1728.211134 1143.646914 CerP 42:1; [M-H]-@8.17 1854.865113 1998.386872 3420.866358 385.3577375 3341.523396 465.2498908 1170.975257 2137.387352 2175.885902 1116.234812 1125.078201 2233.496917 1043.035145 2213.160882 1203.415949 1718.809854 1359.183328 1086.042247 2138.494657 923.7531471 1290.155807 3175.883 3845.726466 1706.557259 3617.122905 821.5517469 1833.888078 940.0765568 CerP 42:2; [M-H]-@7.66 1629.932158 5570.200182 601.0293809 2786.770585 4012.485809 1798.304534 2142.963787 740.3862976 2305.59895 1446.078095 3386.44734 1751.760148 1384.073898 3114.771749 2394.835903 3864.98812 2522.498439 1983.805909 2487.169202 2118.371933 2619.884105 2986.584944 1858.152656 1412.384158 1468.090934 2375.115473 4719.914555 5211.499702 FFA(16:0) 4236374.512 4352302.156 3744344.639 3218387.278 4255797.618 3519411.659 3902343.812 4469085.118 3675891.078 4068117.327 3760201.9 4381812.986 3372315.856 4629416.474 4231049.532 3883174.88 4273923.066 4468191.34 4138914.728 3628557.722 4461547.672 4506492.475 3868268.838 3895780.235 3692272.75 3681219.203 4361065.1 3664813.264 FFA(18:0) 5808134.856 5625478.445 5405746.863 4492267.358 5755105.934 4891028.644 5458498.253 6050867.141 5053693.23 5665550.255 5312098.29 6011971.929 4650396.031 5848466.47 6031094.659 5708387.329 6128453.621 6121058.384 5632526.45 4874269.617 5718645.283 6054741.015 5183688.268 5151851.177 5155602.943 5600991.955 6151745.812 4818927.916 FFA(18:1) 235588.3275 358746.3976 180255.8178 224518.4758 192437.756 159760.6645 383049.1169 197027.7019 137731.5573 145399.4629 155418.2332 282280.5872 124099.832 1635472.532 227634.2688 276887.8365 218004.346 195994.4055 315205.5224 285081.3754 226571.0142 240735.3796 307910.4888 172047.7026 191093.7003 103928.0877 354735.5391 151763.3714 FFA(18:2) 99142.35614 162646.2887 62921.94455 73717.29571 96052.43192 61336.25229 219029.1996 78299.90524 67152.80362 42818.15374 53617.40336 139370.7123 45411.58116 718333.9723 80921.08244 93824.81072 74597.72174 82141.44375 119307.2242 129020.8953 97145.61633 121767.2567 111290.7575 63063.90665 67171.6378 41655.25116 125330.9102 77761.82013 FFA(20:0) 137261.3328 134085.4644 98163.68437 72098.73877 104945.3993 103156.2016 103620.9766 129073.5348 88610.28967 119278.0275 109946.6953 102794.8692 85728.11911 121160.4413 95413.91964 121690.8358 125911.6527 121945.634 122671.857 86647.41119 105726.1016 138694.6383 109779.8789 105974.9758 102835.8571 120023.9735 119499.3255 88570.88323 FFA(20:1) 5857.546136 10034.36264 6083.323007 3084.675693 9250.012995 5135.798406 6381.294745 4014.095285 2665.900266 3766.256704 5005.347227 10305.98334 3303.764008 20411.16445 3535.208892 7381.512646 9241.556957 4609.194021 16395.13263 4635.009108 5371.281338 18260.27713 10977.34284 3855.787835 17333.79488 7146.561877 15285.94168 3498.265416 FFA(20:2) 2663.145889 6294.679129 4951.889853 2573.44017 6002.925643 4301.052671 5473.35756 3985.879343 1530.537291 1400.102751 3012.596921 9681.373631 1989.129092 18117.33919 1708.443775 3799.572625 5147.560899 3622.229525 10440.71917 3605.262054 4492.786372 11095.02013 6544.972646 1810.922701 3565.03654 4999.583695 10691.78312 2566.158678 FFA(22:0) 23465.32248 30609.64727 30967.4126 9515.768887 36089.88422 23131.37549 16958.28998 23923.01777 14073.58304 18211.41199 23757.15045 32695.40988 18618.5923 30872.56015 16123.35297 15669.51254 29309.76352 24852.30473 39179.3478 15788.91397 17129.81242 54417.42464 24430.57683 19389.79232 40953.20127 46446.57674 32039.51989 19645.02907 FFA(22:1) 11654.26934 9905.972101 9547.409158 6570.092767 12157.59807 7888.405273 8494.955194 9557.661736 8856.547061 12636.1809 10116.05948 11253.99348 10575.03498 12438.61838 8499.933933 14456.47615 12944.01071 11168.12945 16956.8795 8186.535285 9954.485743 17430.36863 9014.545633 7245.112573 5650.356629 8874.937588 19807.68943 7705.574595 FFA(22:2) 1622.076428 810.0810757 827.993106 797.0106057 1345.245757 1642.483654 1281.544602 2218.317999 376.8414186 801.7995045 557.1850387 975.5919555 1406.43778 1477.501159 633.0124662 1324.115178 2153.435904 767.6394246 1628.776351 1595.719599 1606.853661 1913.17971 2131.306678 905.1940819 1326.025337 2023.251975 2910.666214 848.4196356 FFA(22:3) 1129.252435 1202.566498 621.6790233 234.8135823 936.0548202 368.0333181 605.9516162 2381.389925 488.6729646 390.2692236 618.2628079 1436.876042 841.7166567 2576.229078 1007.108813 1193.437735 2975.544616 701.2369627 584.2315596 768.8489206 850.2900802 911.1620864 2882.027882 1581.226436 1386.512635 617.2250942 2090.394055 587.4061533 FFA(24:0) 19189.35956 17846.87415 17658.63903 16894.48906 28613.77966 12301.675 15214.10493 20050.84946 16277.18672 14897.93624 17213.55972 28794.55519 15370.86762 14405.88391 11459.85584 15469.32187 16236.5977 17832.21785 12654.79912 17585.24368 13213.43071 20030.76226 17300.46574 17073.24045 18794.24473 16283.87063 18963.40195 14189.18712 FFA(24:1) 2611.840089 4726.348713 4062.512993 1579.0892 4035.474228 1234.495024 5129.697124 4756.531435 1978.336721 2586.217944 2778.487169 5216.668411 1820.895634 12197.70337 2234.44117 3110.258244 6710.170986 3369.051784 3432.184651 2914.946624 4754.058419 10916.95086 2643.584304 2201.596395 2215.615963 1311.509729 12829.6853 2707.447563 FFA(24:2) 668.6831404 419.1245577 1336.873215 810.4508293 2276.835734 628.5385692 2012.286454 990.0705389 229.8565841 423.2358648 822.5803808 1353.997352 499.8759053 2332.446346 439.4664686 622.0260266 1553.525622 309.7632455 814.5358896 467.4191162 725.1912165 2459.699951 1072.057997 677.5043384 219.4201823 122.2060405 2747.565835 448.4516646 FFA(24:3) 419.468626 164.3840953 169.340225 38.63231316 122.4513508 193.7367339 225.8987101 145.5983157 112.5387023 94.64398375 138.2300445 37.98229535 22.70592292 209.7511613 160.716651 83.39856964 374.1498821 51.97322895 152.1574699 18.90576532 223.6810133 148.218411 25.52636909 21.76073559 54.95175382 112.0422761 109.2806005 98.4770706 PA 34:2; [M-H]-@6.21 3125.907497 3218.331955 2493.049551 5389.221234 5119.839242 4706.538557 5876.111178 7047.785534 4222.718448 3691.510981 4258.576177 8258.051092 6714.563222 6052.636371 4906.017394 5401.948724 3058.309233 5436.337444 5041.622048 4975.783729 4493.970617 5549.51922 5215.269393 8479.667815 3438.214507 2991.82168 6367.332432 6118.527024 PA 35:1; [M-H]-@6.16 518.8000578 450.5736829 732.7432493 247.6169871 560.9239607 12.28065544 127.2219136 903.7576428 261.4652734 193.8980333 604.9086585 1083.893027 103.1566497 250.6701049 367.2648417 1123.29664 1933.271288 558.7126151 906.3094394 420.4830376 41.86720376 408.2358584 1100.825454 436.237373 1082.710021 32.70150816 561.9024326 194.1070853 PA 36:2; [M-H]-@6.86 19235.85246 11576.60426 20092.14559 9068.05487 21528.18067 13091.31788 8498.214751 15147.68049 13484.8494 8723.145953 10574.63095 27498.5261 10929.73017 19826.70215 9218.894633 13993.53319 15326.09635 9790.65387 17902.78614 12162.65634 17575.21639 21899.03786 18837.63851 17410.84002 20013.53287 9546.154847 28047.6293 18504.4469 PA 36:3; [M-H]-@6.18 2905.850419 6684.61167 9120.488516 2465.013046 10925.85622 3555.627681 3825.834761 8513.970231 4950.485259 2363.401774 3768.099311 11101.08924 5275.56978 4844.51146 2992.1536 5991.836199 5653.077072 8523.215856 8225.647639 3056.26078 3940.451672 12583.69018 8061.247685 4857.142471 8695.20548 8720.596519 8462.133268 8253.413716 PA 37:2; [M-H]-@6.37 170.5280833 437.0634271 413.0328463 1374.481538 1197.873989 127.8165934 435.6900112 339.3091967 513.7326708 264.9683354 392.7206995 2654.253092 813.1077426 91.9064608 294.558381 1404.99933 1065.221402 830.7190467 685.3354819 497.7642313 750.038588 628.3774147 553.0768128 409.9827933 1548.847086 238.4803187 666.6081458 277.1358757 PA 38:6; [M-H]-@6.09 248.2898699 247.6371687 919.5365154 238.6891314 782.664172 166.6379371 171.6506559 477.9510128 156.2043383 135.9986411 231.4143551 285.0721392 130.1605861 466.6610007 113.7793363 348.6595721 344.4001074 403.1202654 164.8588908 332.7126769 148.391828 1450.073812 228.2143924 197.333674 641.0050819 436.1928803 705.997328 664.0056379 PC 19:2; [M-Ac-H]-@1.32 19515.07725 13531.20894 19455.1009 22609.95825 21963.29185 12119.73102 18774.79062 15411.17711 21083.32513 17675.89558 16872.65994 28453.98676 16111.58392 19168.7798 18907.37649 20517.88868 23085.81858 20696.18392 17228.07461 21067.30798 24804.43879 27312.16649 22491.85459 13558.39582 17568.81186 15655.63224 29813.34813 21061.34685 PC 28:0; [M-Ac-H]-@5.21 1973.569344 2239.996784 3006.57335 550.2032526 1383.822187 728.9237861 613.743075 731.0512794 959.9648324 472.5667189 1098.30745 4277.899194 825.5304752 1300.113481 475.0295123 2908.614178 1701.64686 841.9796522 2463.929142 1296.374438 1491.713598 5060.45961 885.9640795 333.8925628 2805.858896 1424.255298 5377.107168 1225.935214 PC 30:2; [M-Ac-H]-@4.87 1296.065476 254.5147125 1328.375971 394.7095396 780.8193762 414.4517662 221.6831413 884.233489 266.104216 174.9109316 909.8773478 1631.100909 297.0696526 363.544391 819.661142 844.4397794 322.9383567 940.4766931 1061.143821 297.1092588 976.0054564 1482.390458 398.8213628 168.6948515 1682.163021 632.1165432 2971.002395 939.3125695 PC 31:0; [M-Ac-H]-@6.18 8613.333505 9569.562948 13020.79332 8380.159631 11528.36428 9179.077024 6891.844101 10087.83704 7018.658515 8947.507969 9710.720484 15023.93413 5962.487046 6039.157781 12713.60986 9361.041697 8124.019007 7869.586712 11319.40711 10762.59991 14367.03591 13657.8455 9779.746434 12034.52468 6786.2832 10111.15578 12349.43823 11212.92424 PC 32:1; [M-Ac-H]-@6.05 53915.58548 89737.51985 82822.27251 29832.91877 49305.02289 21929.54306 31946.70728 42230.22793 47757.40522 33640.74245 44632.50142 83837.12466 26999.27281 60338.95415 31140.78896 50088.7501 60777.99707 58792.37392 46770.0387 47480.10352 50741.82193 68717.8349 36444.04463 28199.72629 27076.8901 33974.73554 130752.2541 37383.30382 PC 32:2; [M-Ac-H]-@5.54 112915.123 93421.55699 123050.0082 52042.30826 142751.6058 42206.67648 82417.72349 100657.3497 63317.59143 37943.7051 53966.87455 190639.621 51481.00115 115562.3146 53424.18822 119431.3036 103498.362 60752.849 123502.3673 78486.50392 91189.11049 152717.2148 89708.57638 59287.21689 56060.78682 46717.77714 204407.7934 92655.94815 PC 33:3; [M-Ac-H]-@5.51 1392.168686 3363.804076 3977.809334 1048.555413 4148.148418 1207.858674 1075.88027 1777.024915 880.1203266 584.4616702 1009.017571 309.7583279 575.7780226 824.9515266 1500.771552 1422.531053 1306.305796 1453.549561 1815.504358 965.8285078 1817.862304 3295.808252 56.81261156 547.6642894 2778.414866 3392.374083 3116.447543 1244.550775 PC 34:2; [M-Ac-H]-@6.19 1862014.712 1566157.444 2113405.81 1162181.232 2853156.25 946230.1753 1356486.796 1997006.71 1674098.109 869972.2293 1151097.114 2808475.176 1173298.162 2177242.634 1255316.663 1760897.942 1986200.262 1659032.069 2103143.141 1609683.199 1751555.507 2619477.479 1878485.274 1569469.353 1423081.473 1115821.675 2847465.222 1808080.567 PC 35:1; [M-Ac-H]-@6.95 7631.736998 7379.90234 7711.078393 9089.406348 10099.41931 4848.773093 7797.09891 8503.288405 11348.56057 7859.332599 7056.222578 14414.73182 8857.89115 6498.804322 6345.112642 13266.66306 9157.52788 11868.62719 8836.149211 9807.260506 4919.451151 8500.205149 6081.24843 4567.460092 4690.843229 6095.232806 22744.66365 7784.73647 PC 36:0; [M-Ac-H]-@7.72 6456.606365 5426.984207 4910.45627 3268.58812 4398.167309 4385.726968 5130.065695 2754.0136 4147.839838 4188.636402 3558.175058 5285.278982 3023.820361 4399.761582 4299.681977 4478.14039 5679.680248 2825.308928 5840.898428 5341.488067 6972.607147 4402.311481 5262.04275 6861.133516 5536.128405 4164.300733 6678.441194 4252.77321 PC 36:3; [M-Ac-H]-@6.32 385900.0911 321088.6669 344871.1039 202702.9732 573146.598 178040.9879 300116.5242 387763.8628 396285.3514 223866.0867 210199.0758 533937.872 260443.8507 317846.3912 265790.4311 341732.2345 316980.6366 253329.7382 357175.1934 255688.721 321494.4227 409007.8343 221296.7459 267065.4152 270856.2298 172218.1456 512688.9696 289748.6351 PC 37:2; [M-Ac-H]-@7.10 1791.590296 5659.26072 3585.314518 1245.249626 4565.80965 510.8669252 1362.349382 5630.904836 3884.991758 1906.088634 2631.974665 2686.127064 1027.663146 4345.095415 1164.739524 2961.238792 2701.337606 3618.88057 2252.737428 1636.415349 2742.879579 1510.643425 756.3713985 2722.920053 1170.927468 1466.347854 3056.860425 2027.269832 PC 37:3; [M-Ac-H]-@6.70 1267.26505 2313.071105 2152.470867 1123.948716 3017.974007 548.1677438 1283.530488 2237.746586 1252.794695 860.2622521 2136.673619 4741.269627 2361.599216 2292.599287 1171.084272 1948.20552 1419.573389 1827.482277 1823.995855 597.8984298 1140.308921 3409.773316 2785.880737 1554.590716 866.5804233 1079.10494 3987.174533 1701.637874 PC 37:4; [M-Ac-H]-@6.49 2751.323888 4466.37666 5062.386444 2522.003229 2766.052304 1364.16653 3086.843655 3422.56652 1828.332074 3793.585083 2572.170271 5018.042477 2116.042087 4898.800057 1871.663344 3813.81725 4535.662286 2241.177378 5616.484722 5328.355314 3985.674974 4365.557519 2710.712274 988.3629741 1963.282001 2500.419053 6432.039021 3398.235441 PC 37:5; [M-Ac-H]-@5.98 2653.468318 669.7656652 1101.744274 247.2429899 310.7200196 997.7428766 189.4620058 1382.85421 757.1548629 888.7522864 553.5122977 1884.664847 1291.348852 750.7151067 504.3625759 1669.275333 1888.877069 742.7915317 2390.632308 1278.637173 876.7063425 957.6155919 1490.051802 651.9528748 990.4857139 1244.713046 1781.904406 885.8866321 PC 37:6; [M-Ac-H]-@5.79 855.1943483 321.2723272 1956.924877 1076.020836 1946.594097 230.0129159 797.6070469 1687.896909 669.0929972 575.1644001 1496.449758 3813.730698 1918.386469 1775.924044 853.5456566 1783.596971 171.5590423 433.3712509 1917.904921 809.6633593 949.9798087 667.3651627 1771.405611 1124.087522 1020.829196 1183.476942 6202.101821 230.4212491 PC 38:1; [M-Ac-H]-@7.71 2177.200499 3713.586215 1798.18801 297.8507816 3327.70664 2412.098932 1436.06849 2155.392513 1693.109488 1152.462524 715.9745284 3501.165671 492.0071539 1455.916739 577.2089317 2145.126586 2496.900659 2908.129085 3011.303588 1324.135434 1450.226443 3989.265882 2575.046648 1141.341253 619.9165623 858.5583407 1755.024424 1053.558983 PC 38:7; [M-Ac-H]-@5.51 2108.683456 2295.442949 2053.020447 92.85878391 352.9483905 1398.233656 1063.291454 692.2593379 2432.84392 436.9657777 643.693091 2018.90296 6.536079542 1165.429657 241.9140079 594.2809547 1948.335493 1098.800321 1687.135462 1557.954893 197.2457777 1696.917286 1337.083068 1740.244695 435.2133661 409.6336071 2963.974572 1386.970188 PC 39:3; [M-Ac-H]-@7.33 536.5252403 858.4287931 287.2669279 258.0019738 324.8706469 123.7825173 799.2505948 169.2092155 286.3414225 196.948149 276.2371253 628.2605917 170.5359313 247.2042393 163.9446468 234.1592443 267.0754325 401.8281308 333.6798104 5.32888273 183.2603322 265.1905617 355.8171476 109.62514 1593.340027 279.5724649 484.1085088 450.3310461 PC 39:5; [M-Ac-H]-@6.51 464.1910988 86.46561094 2453.212952 347.0688104 889.2707159 327.4740094 74.29511907 1054.823169 113.8370326 442.5476836 189.2960234 675.0840851 392.2155175 467.6150184 295.8158551 433.6933565 104.0077741 240.189372 1281.669473 293.0053296 718.4183341 667.3600018 176.7075477 399.8129921 1629.674703 655.3624645 1101.47972 386.952524 PC 39:6; [M-Ac-H]-@6.36 962.9043531 2023.368167 598.9760615 339.2798585 392.2729615 547.4455148 1001.998015 408.0484858 941.507567 1340.399953 460.7625238 218.778191 962.4017323 1055.488849 188.5148265 421.5092889 1478.459642 654.6547737 229.1469023 323.3016723 571.2354004 469.2466846 706.0533685 509.9371461 1058.135079 831.8644828 2336.520437 8.481697136 PC 40:2; [M-Ac-H]-@7.83 135.5209504 490.7016601 125.9042468 285.8693762 716.3845927 127.1590944 135.3441002 187.2054654 206.0998853 83.83511887 172.9809005 701.6872843 157.8736651 702.5653672 945.1555864 479.4353582 799.2599895 357.6774343 365.3455739 140.1964206 443.166969 654.3522898 136.8958749 170.4838705 421.6651153 273.4102548 1299.873213 436.605378 PC 40:7; [M-Ac-H]-@6.08 4274.077329 5405.516301 7144.58185 4159.094943 5144.434712 3469.505638 4402.427527 6425.170455 6212.796831 3066.10925 1429.599316 4931.073436 2338.378844 3609.935433 5081.632706 7266.742495 4099.939355 4238.313368 7223.816619 6019.149802 4525.835537 4346.682138 6403.947459 3006.250775 4908.909802 1371.628072 4285.467883 3622.831067 PC 42:10; [M-Ac-H]-@5.68 4172.980744 2126.000327 1463.529068 3828.909993 3276.542116 1883.591596 3920.018115 4971.687219 8665.501603 4083.781638 2940.972127 4242.332667 3782.973555 2239.860151 271.7285143 3238.59118 3950.685199 4407.185108 5595.158024 4836.522727 3767.028696 5362.530256 3104.67522 1725.932352 2411.559755 3695.162598 11295.69354 5141.352353 PC 42:9; [M-Ac-H]-@5.90 500.3830401 286.3608041 542.120909 187.9149352 595.1884865 93.65180933 620.7909956 811.9459493 202.3853303 253.8447058 187.309382 1245.189979 249.3840319 488.189847 387.0131588 670.3237701 1087.500163 18.09353261 147.5834407 231.5801491 328.7313249 390.4401595 440.2338827 281.0647298 340.3620008 351.1199214 360.7971009 438.6226764 PC 44:4; [M-Ac-H]-@8.42 274.4034592 155.8149744 309.1178014 254.7966825 1365.400499 112.1469473 36.75854094 187.2087953 118.4991481 292.9925872 237.5404104 746.2746349 387.2464571 291.0116426 165.0213605 324.528711 105.147667 331.758326 972.9828483 265.5340907 216.7553441 498.6544695 589.1169318 186.9038651 174.0144485 150.7816101 675.2601278 204.6503893 PE 30:0; [M-H]-@6.08 670.39696 724.4526579 790.5421444 251.5148709 1217.206204 561.0711987 761.973068 698.3977536 289.738387 57.01070852 255.8321454 4641.095874 1195.939871 661.8364983 255.7193556 1006.434897 2505.908444 2399.136629 1137.965672 284.0150922 1917.125713 1871.461645 1501.215154 221.5711717 1482.58954 485.4935113 3706.198688 1609.34744 PE 32:0; [M-H]-@6.68 932.4377736 431.2278309 726.0361978 251.3084906 1310.201983 1253.320623 1014.989011 1391.260427 1443.835013 1253.082616 510.0795261 788.1488701 90.88369641 366.6770444 1215.622422 630.8119826 1691.959495 1592.353821 1687.22395 295.2097132 1013.282309 134.4441343 688.6900811 2518.059752 4.628483313 920.917967 1305.351043 581.5633062 PE 32:1; [M-H]-@6.21 2986.950855 4775.405676 7312.687109 1164.107738 3059.905697 2855.976707 1683.814257 3380.000043 1315.204361 2056.405484 2144.377787 9721.286386 2824.572061 3114.536675 2020.739909 2495.466913 4874.517979 4007.671693 4759.369238 1397.375316 2736.536912 7422.04855 1735.506522 1549.099527 3265.762318 3651.209953 10641.53547 3764.892461 PE 33:2; [M-H]-@6.08 1904.742167 1761.461443 1379.216301 459.4633832 228.0542439 216.897618 682.9362914 1432.450622 2511.177434 357.4968045 992.5579768 3189.54795 1389.372106 1187.405089 1139.999924 621.7789567 2429.779203 1219.102989 1276.78457 3874.303628 1694.041743 1897.893995 953.3584038 593.5418047 417.6342891 874.0460021 9051.41768 2862.606877 PE 34:0; [M-H]-@6.53 2404.417454 1634.663299 1938.636518 1720.956704 1024.839945 1987.821749 3604.286127 1980.390809 1478.453068 2131.39928 918.7541725 2741.009114 1228.844988 1675.500747 1174.209671 3665.437666 1841.203473 3766.18992 1049.859289 2081.345798 1822.248734 1955.744219 1843.719156 905.5922533 770.7971262 1461.827996 2099.776072 3464.287369 PE 34:3; [M-H]-@5.98 7709.436973 6930.034584 5259.987388 3518.323455 8631.657453 3758.242259 3708.863007 3084.395866 2569.949509 2515.899245 4049.951861 10139.63187 1452.265917 4639.891215 3825.748547 6656.083291 7811.004579 4794.681693 4331.42625 5017.194757 4773.212094 6820.256002 2007.65293 5090.393266 2661.768385 1403.466872 13152.03557 4644.908931 PE 34:4; [M-H]-@5.70 2471.970894 1584.085232 2875.579543 269.7858095 1913.89843 273.1229233 946.3523014 553.4863496 606.4227889 1019.546983 533.5344895 2174.491344 1423.715598 474.0311095 387.8608309 555.104415 2716.909824 436.2431768 411.4875208 580.2048771 586.2935205 1491.405693 914.6610954 341.3893333 524.7815198 657.0732236 3295.250972 613.5476901 PE 35:0; [M-H]-@7.56 957.7157663 2560.691904 804.4432003 485.8537057 1509.790767 160.3356136 1377.767151 2039.789067 1159.94594 833.0660033 1207.802367 609.6197179 851.6056162 634.3926917 419.6026178 1227.952871 630.7903853 759.7866445 1455.252167 231.919413 686.3229151 555.503501 762.2913941 897.172777 810.7464854 1386.860924 2248.121373 993.8680794 PE 35:1; [M-H]-@7.12 1537.086256 1096.045642 1612.077589 1399.284525 2560.53771 220.8613235 1654.587222 923.4998815 639.7884065 1190.01892 1168.931177 2342.039674 1434.120321 3075.367102 386.2107232 2494.262839 3606.531228 1502.486045 2853.420029 1677.58433 1986.031481 1591.680155 2269.843109 1200.242623 1308.19958 1086.217272 2080.476634 2960.49964 PE 35:3; [M-H]-@6.22 1867.208829 3324.484124 5602.388607 1704.782613 2457.326118 1905.527143 1032.813021 3870.638664 865.8570942 769.4252868 1875.894774 4091.427845 1565.287951 3030.154596 368.4591706 1677.628984 1390.768719 1382.753275 3001.490196 1366.500703 1826.62474 1665.062306 3865.307116 1842.3045 4698.682971 3198.408503 2455.921479 2022.643194 PE 35:4; [M-H]-@6.06 930.2827988 1261.555185 1389.52 191.2126672 1037.868394 975.625252 1008.919024 973.4276314 660.3017034 764.5494119 1125.682566 8414.715792 1113.754762 1301.507619 610.0825059 743.8442933 1950.511978 562.4235383 67.63280158 1789.588641 1450.68337 1979.487 1325.46404 2334.513718 362.1342677 366.8810673 3144.977447 843.6502487 PE 36:2; [M-H]-@6.97 555191.9484 622674.2279 476515.7505 391217.5629 763596.2732 330104.3566 305114.0628 545273.4709 542883.9471 243093.7387 270140.6242 849005.0538 388460.061 523423.0966 423294.3381 344036.3146 586435.4295 296749.069 616260.9498 363372.1293 551262.4685 519114.8656 342614.0478 457467.7938 335036.2768 274341.6142 769090.1114 651789.8678 PE 36:3; [M-H]-@6.52 140074.3655 269867.2026 185085.3014 80361.22682 245328.7937 95136.79204 98447.29425 148015.0079 121948.5511 51889.17234 79849.48505 305179.7947 125970.8163 175432.5704 63547.78163 106470.2351 146524.2844 68018.77248 215615.0428 83197.08942 113058.5808 282639.5649 59784.6913 82719.04989 246779.416 151288.8374 218436.8424 163254.1371 PE 36:5; [M-H]-@5.95 3781.358768 5777.352452 3716.500782 1738.235385 5283.516131 649.4786638 1881.940635 1918.205856 3635.722334 2466.881603 3160.087087 4532.699253 2037.341497 3964.347997 905.6157109 4416.646885 4933.064511 2486.231566 2342.652376 2592.543034 4903.285828 6774.477042 1692.875574 1406.36508 1212.650953 4924.398721 8603.908692 6597.149078 PE 37:2; [M-H]-@7.16 15629.7659 11354.57724 5790.974643 8887.509476 11507.41549 8390.983773 3693.07058 9313.965642 10449.51612 4713.41842 7818.279065 12292.84339 8463.466807 10352.30146 5538.764906 9565.089451 17682.79999 5879.709197 7138.427055 10124.51628 11034.17091 10165.3167 5984.675854 8507.599084 6806.84008 5557.536594 12488.21433 12532.27039 PE 37:5; [M-H]-@5.71 2036.706166 1471.267136 1338.094852 65.48091178 1101.287976 255.1047133 893.9492927 2132.840163 1371.092988 187.7710576 1204.300459 1386.196409 223.9584327 1017.076405 291.9253797 1166.605102 3282.489272 1183.690482 1044.582316 746.8499847 2587.415007 629.6118402 2717.912883 238.8459252 825.1297304 1265.870309 2913.368613 1169.309939 PE 38:1; [M-H]-@7.89 4515.267415 1888.068545 1802.775361 318.1602763 1616.511095 1401.074181 418.1452325 2024.28256 1281.55281 996.0684517 1479.851324 3545.643464 767.4730306 2209.727754 2531.761687 1455.104942 2945.974946 1014.225597 1420.763714 509.1967877 2533.537046 1185.656135 1570.112566 928.9492645 386.8320497 554.9102313 2915.232134 916.6368282 PE 38:2; [M-H]-@6.83 27797.26279 21709.9643 23964.30093 9346.236019 26694.19375 7099.106518 23145.36868 34924.58405 37424.57908 25874.85573 18242.11677 20341.86709 21189.91217 19795.73535 11389.56751 27596.79568 24642.48276 24440.54188 24224.79059 12199.34354 18974.07975 28537.80657 17963.0837 10011.26497 19180.37453 23836.05958 41840.2547 27288.61958 PE 38:3; [M-H]-@7.22 86609.001 129974.0028 144750.7669 99443.32052 196182.9511 41252.32313 104700.3737 181315.4828 92409.43311 69065.12654 107353.442 161944.3901 87398.56736 159894.7148 102203.1309 111065.8523 136784.1584 109403.2049 94596.42936 111817.5195 129064.9668 146112.6704 77776.91193 80178.21642 98552.69613 84231.91655 189313.2684 112572.7918 PE 38:5; [M-H]-@6.49 207383.4985 263823.9209 226282.9456 179266.7555 343372.9099 68617.21533 216704.0027 282227.5701 195283.395 149103.7267 166668.7904 333786.2896 174868.082 334487.3601 119760.8167 215417.1556 276258.4795 207047.871 148571.4862 214961.2026 225818.4511 297017.4969 121500.9464 130718.5587 182042.2431 121413.8804 323632.0103 196379.2995 PE 38:6; [M-H]-@6.07 33253.11182 65940.41105 52163.43826 8389.312732 51702.27387 17459.21501 22707.1131 34060.00792 31100.69689 18249.73485 26214.29567 61487.5645 18261.96243 51718.75668 13646.02418 30549.38868 51684.36767 30012.55706 30514.34668 21234.37801 29331.05041 85496.19909 23787.36169 15531.24283 29785.45137 36098.0641 68669.12047 34569.7016 PE 39:4; [M-H]-@7.12 16093.31077 15108.39092 16256.36842 15895.37089 26668.1662 13204.44312 8579.843253 25228.69026 15396.60408 9182.658736 12103.97535 28693.0468 11667.59466 19317.91533 19553.76355 15619.00572 31167.9997 9997.304733 11977.46684 20278.93703 19885.19326 15698.01021 22696.49428 10370.5395 17779.02409 10032.33666 30482.74136 14717.49905 PE 40:2; [M-H]-@8.09 2784.780757 2569.979495 3212.17189 2469.761339 2900.45336 315.8315449 1313.447798 1797.753766 3400.979618 744.1537828 1675.764647 3150.707104 2282.122466 4590.91175 3248.525814 2904.104973 3599.727282 3221.376556 2923.268196 2286.505522 3019.762046 2853.94666 2563.506376 2943.734775 3265.564864 270.914163 2803.63217 3030.393172 PE 40:3; [M-H]-@7.05 7073.045763 5125.640756 6031.928724 5376.815537 13081.58198 2198.480101 4685.12959 4246.400031 5619.288764 4821.304012 4657.738269 15137.86279 4061.767452 10008.19684 5068.755247 8200.363573 5278.618631 6223.202765 11199.05891 6150.539863 11680.64741 9689.279291 7207.529603 7655.62481 6215.159431 5063.718721 15876.35615 8496.527531 PE 40:7; [M-H]-@6.36 29717.36684 25851.73011 21217.89267 17131.82237 23480.78991 10940.88116 17963.54269 20746.94577 18257.90887 10725.02217 13939.78998 18720.23464 10634.59932 14231.78119 7920.64605 12989.61708 18624.5057 27001.73612 13918.04718 19474.93136 28209.33917 18390.90681 20614.15604 13911.39624 11988.64316 7587.93705 35698.49073 15940.44487 PE 40:8; [M-H]-@5.85 10694.97017 4074.523574 8056.709659 3193.981624 12328.01086 3238.876196 5126.577735 6892.27072 12943.68864 3374.093524 4884.621447 16407.53717 5756.048107 10016.92827 4778.6155 8024.918702 8269.754445 8532.56153 12326.31949 4504.646761 7311.168848 11638.52127 5922.133711 5481.513393 6338.22149 5333.369957 10749.33816 10530.06101 PE 42:1; [M-H]-@8.83 344.9140785 367.2265833 1160.957056 286.0674844 936.5750047 22.29116822 152.255672 176.2221967 559.312694 88.53975591 195.5401697 513.5118444 119.0691113 630.1138184 832.2909819 586.4210569 377.1744942 393.9087643 157.1385374 65.74049983 332.4432157 1291.59617 402.4618864 335.3228191 332.9411308 174.6481812 385.4844089 148.8910531 PE 42:2; [M-H]-@8.55 1019.076418 1732.209548 1580.201131 1369.049387 983.9975587 732.3748763 1079.376979 584.0556318 3123.215573 900.0033856 1418.19067 1670.014415 1104.478771 2007.755596 1126.683014 2290.201871 2434.276646 1152.60591 1609.739366 131.2516646 1959.617498 2283.765227 1072.34001 560.5780915 1461.520557 472.6495527 2145.657139 1230.598884 PE 42:4; [M-H]-@8.06 7117.301804 6191.828872 5630.440449 2475.079781 8655.59715 2643.052984 3469.623368 3359.406559 7046.929051 2202.069323 4541.226823 8511.73044 2360.577074 7142.242634 8484.135713 5431.574943 10372.84833 5430.303284 4718.206425 4709.088986 10388.96654 7669.448848 5229.466303 1822.532686 5296.443018 2028.271497 6695.635049 6799.864343 PE 44:4; [M-H]-@8.52 1065.046686 673.174633 1810.546545 547.8260742 1737.132349 550.8033922 882.578868 1405.115285 1049.163885 559.4634062 1542.193266 3943.351084 461.5081704 2777.657645 1620.929415 876.3781405 4086.052495 2230.065202 3263.012059 955.5691931 1585.530429 5274.614799 459.6672653 925.0194991 3414.608023 1204.702528 5655.361907 1187.503358 PG 32:0; [M-H]-@5.80 2051.453058 1717.70902 4047.21611 1308.491035 1331.418704 1321.470942 884.1949314 1569.504036 1508.141158 720.2913012 1957.957677 2841.293269 1798.139991 2437.893319 846.4431004 1275.274855 2383.228172 623.755496 3278.058779 1801.881543 2322.393501 2387.471557 226.080275 821.9840938 2279.060668 1598.452971 2895.595462 1822.024089 PG 33:0; [M-H]-@6.09 1641.368155 3505.435323 5883.527447 1256.922812 1836.687937 2984.742421 2395.658819 1699.873046 1367.04655 160.9791911 1476.116472 4820.630727 2852.269651 3812.45223 1449.181937 5838.308727 2894.733176 3274.494453 2649.540867 2091.151419 2206.740754 8930.311253 1649.742977 1008.867098 4505.398101 2114.716361 12822.91726 3230.023365 PG 34:1; [M-H]-@5.84 73629.53086 92827.01347 103048.6325 49386.00924 110644.4027 27712.89146 45641.94875 84582.07008 52790.6525 38752.4592 48986.52213 124044.5138 48785.03397 87409.70091 60642.80152 83401.07232 100429.147 63190.45983 80245.7999 67136.62033 120863.7891 108873.7384 72400.96649 53121.49803 57242.40801 36208.46319 143829.3419 65323.61701 PG 34:2; [M-H]-@5.46 15064.43044 13489.29956 15370.40731 8960.892576 18405.0592 3526.69733 7843.189342 12183.72585 6459.162358 4598.955051 8398.526194 21601.16002 4691.894546 14804.19572 6679.493589 9551.398206 14278.88097 8498.751115 13998.994 8148.436107 9716.948208 13170.92276 9253.714211 8235.238185 7173.317413 3310.922345 13597.78352 13791.07825 PG 35:1; [M-H]-@6.13 2708.936017 3975.498446 2691.955868 777.9456693 3391.790478 1864.389546 779.2785007 3020.600561 1086.697998 1010.752438 2097.756996 6843.057296 2328.749823 8754.23971 416.1301473 2079.067764 3535.663988 1401.9979 3092.933568 2452.203438 3988.144483 7831.907697 3406.28772 1208.301643 3995.045268 1896.109775 8246.124861 2501.421576 PG 36:0; [M-H]-@6.93 5978.610111 9230.432233 13375.3045 11372.8602 6866.412446 8279.455873 9077.919743 7937.890371 7694.427656 5922.494584 63347.98228 15803.62988 8666.704943 8654.722663 7251.529012 3988.169739 6760.28157 6893.422894 7492.973335 10417.5112 9391.466567 10934.57825 6530.368574 6830.016966 7017.83752 4700.092783 9531.98798 6982.489208 PG 36:2; [M-H]-@6.13 39931.49055 65766.48678 58067.56904 13143.67177 130672.2467 15368.28278 21812.70624 40021.76683 29222.38986 13363.29221 27548.45781 85165.57221 16780.03219 63842.69948 19787.71005 27098.12289 57566.90778 30508.93237 39736.83266 21501.56736 44703.73689 104445.2677 34578.01252 24993.43279 49895.57009 38006.62829 96611.07933 40620.55017 PG 36:3; [M-H]-@5.30 18257.16977 23501.7078 27324.81534 11035.97035 19023.98104 3764.260285 9883.721377 12298.823 14510.20038 7299.221383 7719.87644 23129.30026 6874.533754 10831.50484 8528.357951 15682.85704 18090.87572 14428.33107 12343.02215 7010.470577 23463.48971 17864.82475 16201.50007 10487.53527 10462.06369 4338.092962 55193.91588 11545.33251 PG 36:4; [M-H]-@4.95 5243.305126 6143.493229 10453.58236 5049.973509 10433.91982 1676.618814 5216.210724 13391.67365 6408.461908 1531.660596 2972.246573 9873.181988 1712.193078 6872.680922 3170.180351 4895.458275 4036.549694 6892.410153 5140.862891 5109.86751 4225.09559 8951.643372 3327.872672 3217.736291 2119.288296 1622.074327 14537.32312 7088.725759 PG 38:5; [M-H]-@5.50 2141.347356 2015.689059 1304.121216 1786.490468 3646.404431 594.4483169 599.8230423 1419.654747 1529.857029 1508.012731 394.4452727 2675.258098 680.6585338 2890.826187 1681.617664 1519.156944 1634.327873 1563.150607 1591.419665 1171.268904 3979.087487 3222.966999 2297.916643 1072.369724 1655.406043 611.5324881 5592.720148 398.1631468 PI 34:1; [M-H]-@5.71 26956.39615 21132.96468 45210.87715 21742.33341 37757.06339 8484.635662 22325.1508 35827.0764 39303.33249 15740.71881 18857.11076 31291.20165 16397.41241 28564.12512 18226.1055 33666.41587 31205.86632 41683.64227 27495.67662 23972.864 30117.54486 26994.69714 27309.62322 13357.4752 20215.12573 18374.51436 44194.4789 17679.33215 PI 34:2; [M-H]-@5.30 2415.75696 4748.868934 5099.05893 3392.71802 2723.681906 1657.172416 2499.039548 1706.594759 4000.976043 2755.586741 2698.157232 1474.495668 2235.584983 3175.332205 674.426655 1960.274437 1791.405478 3567.199308 2953.459626 2399.324438 2945.936864 2106.594815 1568.255924 1397.149686 1318.906206 1185.380375 3208.906771 2093.296871 PI 36:1; [M-H]-@6.32 5501.642755 5761.539805 6593.627479 9815.316839 9177.680544 8757.025412 3977.552059 5407.218386 13201.65535 2875.774103 8372.111132 8942.233948 7726.936046 8867.80105 10490.97543 6346.736308 7333.713887 3292.373197 17169.22402 6761.849045 9755.218483 6968.726732 6644.001028 9733.20661 5041.669429 2686.56377 25727.83752 14083.15058 PI 36:2; [M-H]-@5.92 57028.59062 61409.40391 66477.88699 77384.74174 85445.7895 61379.03044 49347.85218 70349.44655 80760.2474 22189.61072 30653.05534 86078.92673 46524.2844 56556.93827 49974.16963 49845.16438 66926.65302 41131.3031 87165.12215 42493.32265 50858.84104 68657.52706 53554.62817 49998.2378 46590.51679 25280.65976 71056.50167 69354.43111 PI 36:3; [M-H]-@5.43 4220.548285 7356.000206 5668.632629 6956.431081 4703.373726 4541.610024 3353.24247 4301.855588 7008.782667 2388.404126 3666.9629 4887.711818 3540.380938 5621.939089 3689.143849 4474.283541 5243.663252 4075.136588 6639.921107 4882.484831 5805.12879 4952.047012 3601.271457 4417.038143 3193.456126 1679.774648 7399.121059 3434.418241 PI 36:4; [M-H]-@5.26 1258.718206 1300.228108 2680.380215 1017.729365 1481.036565 1652.572411 926.4538555 1614.880202 886.5493573 325.6392499 824.7025038 3654.88228 345.2692948 2541.26839 414.3205192 726.1681552 1244.122753 873.2423136 1980.235907 1246.922566 838.409642 1611.784085 1911.696303 947.3468371 2356.88424 934.6469895 3563.648249 638.1212646 PI 38:3; [M-H]-@6.10 209159.941 274641.1928 274365.9821 258321.387 389825.1289 136638.0344 219831.5075 259678.6257 233420.5168 137395.5545 163180.3413 217806.3561 166459.6683 289577.9122 257688.5264 203828.1532 378421.5889 224245.8474 296478.3031 226588.2035 259778.8064 223663.5031 239819.5404 213177.949 187935.41 89650.05871 382701.7026 147140.9447 PI 38:4; [M-H]-@5.87 275811.2734 202011.2536 355005.7495 277431.3866 467510.4002 273866.0051 238929.0274 372899.4945 280069.7888 231500.6151 202279.1448 475486.6123 179729.8798 346790.0291 273075.8955 299454.3647 295196.403 370136.5343 363097.2935 392442.3407 292899.6644 351107.058 351163.9332 305267.0766 297418.4056 150931.4411 374011.2879 205820.3846 PI 38:5; [M-H]-@5.43 5919.644289 8122.836638 12977.7941 5416.848948 13168.77792 6339.819793 6245.466162 6998.314967 5219.471494 4275.617142 5719.402549 12936.03261 3062.418712 11350.64847 3969.625536 5815.387167 5941.759793 7719.427727 8355.006949 8102.841033 5158.165967 8096.448748 5439.984776 5003.705857 10943.87748 4192.530838 11700.20661 4271.89122 PI 40:4; [M-H]-@6.33 10083.53501 7652.441133 8888.329225 12433.32206 11082.6655 10313.33167 5840.82295 9201.587688 7185.29529 6896.683566 3856.906224 9031.205492 8172.599404 8774.634602 9755.474848 8554.85204 10326.48828 8987.289451 10519.19408 12481.43577 11066.76354 9882.751334 11519.46791 7835.61766 9881.949465 4747.094566 11168.32991 8002.578218 PI 40:5; [M-H]-@6.01 4913.690966 6018.57553 12261.55263 6287.570541 10739.27909 5575.167628 3161.529021 7038.16952 8149.974222 4353.3204 5110.217301 13225.84789 5739.029835 9994.966903 3592.68075 5714.909119 5367.351726 10064.76517 14000.41956 5486.300569 5994.436576 14815.87576 10143.4816 3633.257203 11877.0769 13558.92057 9833.349518 3639.490712 PI 40:6; [M-H]-@5.84 3053.899925 4079.110536 5199.720668 5900.423656 4964.16126 1650.167194 3451.858537 4756.848791 7822.851096 2727.240673 2129.254114 4520.532806 5288.291693 3274.925163 3025.57494 2325.444633 5017.425228 8309.961909 4318.244387 4910.049223 4262.296587 5030.501144 4194.699261 3447.227926 3221.696676 2635.909055 7160.164455 2795.677787 PS 34:2; [M-H]-@5.36 1740.160311 2083.42014 1368.29011 1215.791279 1244.930074 1350.986837 1999.672916 1302.138932 25.29592565 575.5506016 565.962607 1764.440629 769.0573126 808.0867203 1707.347936 3427.633462 1733.575571 3356.547623 1087.199666 2071.217895 1365.256105 1641.751297 1267.459744 535.3329334 720.2223684 613.7279639 1599.566942 929.1371959 PS 36:1; [M-H]-@6.43 36100.46695 44054.05569 35186.86071 22309.14813 51005.2518 19750.0832 28333.83957 32724.02949 35773.58184 23814.61105 23935.63094 51853.28612 26443.00251 31658.28344 41365.61317 34975.53792 40698.07906 44115.28324 50489.81784 33957.96524 32918.6771 31460.98053 30590.01815 30946.39018 23829.99575 17093.53394 51912.30475 29245.00449 PS 36:2; [M-H]-@6.01 160996.9604 148820.7073 130859.3433 102996.3253 253704.2019 92976.82545 109270.8771 117846.0234 161569.0741 54212.44454 75550.37711 205273.916 79586.47865 123586.1459 105591.9268 114271.135 144969.7317 94179.53067 224861.6917 106742.0239 117627.8975 147700.3113 174898.7679 132728.1483 93413.27104 59145.21672 218257.9162 133919.3842 PS 36:3; [M-H]-@5.54 13198.42477 13002.97077 7059.857441 8529.254552 10980.01709 6824.955207 11592.32663 5522.106628 10397.01864 3533.636668 3195.957622 4566.768282 8472.886678 7080.055901 8966.203307 8086.463751 6903.32592 5654.555527 9377.968955 7011.070531 6892.191514 6228.206324 4265.251164 10966.14544 5556.75006 3336.361229 9529.457917 10527.32649 PS 38:3; [M-H]-@6.22 26418.19733 18559.45797 16009.24109 15669.86348 23926.19735 9831.55723 17687.09699 10904.27355 20305.74887 13044.48317 10884.64828 19763.38525 11767.02217 20184.6764 18158.79293 14993.04981 15226.94636 13046.82365 13466.40526 19426.40403 16604.30971 14643.90183 19614.07289 18374.0675 11544.84993 9738.587844 28511.25434 18997.57272 PS 38:4; [M-H]-@6.01 27975.01007 50985.45327 37600.32454 13324.40982 52787.01279 20782.51636 35202.27282 29704.72844 21747.05277 20762.62258 21463.006 40706.62364 25629.10776 40077.88635 11795.30919 36223.05931 37848.18841 24555.99072 28106.20988 27926.24914 22251.51166 57578.0829 32439.13717 17188.26208 48255.49846 44588.82676 30185.19624 28647.63898 PS 38:5; [M-H]-@5.57 4825.040714 4298.381129 1920.416184 1080.500674 3710.2076 1011.392091 4011.144448 2371.080449 2518.294303 3344.258727 2175.608032 2606.262605 4155.598219 2594.562872 1627.583991 4057.023578 7916.842776 5443.082893 123.2395982 5412.249383 5994.662546 5902.246551 6498.856435 1973.62616 1200.629921 2574.8861 1849.21719 5892.53427 PS 40:4; [M-H]-@6.43 35566.85514 21718.48606 31463.88234 11215.52049 39223.19105 26351.90399 14089.6893 27990.05917 16014.3481 18296.79282 22903.51611 56250.02316 20674.18646 27618.46959 24221.59193 24005.29301 34208.11055 22683.62516 51359.13832 28725.26109 36636.24497 45284.78552 44745.87067 26977.4842 26737.57547 24040.01995 89298.51629 22219.86741 PS 40:5; [M-H]-@6.12 58200.2544 46159.97304 62846.22393 38922.60617 61947.38961 27762.37909 37317.68234 38192.14462 47070.80923 33087.75187 37146.19678 90584.27948 15318.02257 67495.62589 30163.21032 54439.86576 45986.76291 51235.03625 58251.42784 57470.16049 61895.17463 54233.05063 67671.01562 39935.32641 13786.93677 26562.39139 107121.7142 42315.00338 PS 40:6; [M-H]-@5.88 37790.20454 38463.3459 77777.90466 32828.52283 55396.66989 11041.23004 35150.23694 57183.95259 60965.41415 32830.40843 39920.8694 42876.04331 30395.08703 37402.34053 27341.33686 52169.43354 37889.32352 70773.46733 37543.58787 30039.03731 44612.86159 42813.77804 44025.87117 21339.07167 19925.53933 29372.6475 64774.47649 32091.55754 PS 40:7; [M-H]-@5.45 4169.130682 2160.836085 2988.86441 2012.85636 1823.792226 1013.997585 1526.511384 2406.331914 2682.006296 1818.471092 1186.745507 786.7288754 2423.661083 2424.713291 1584.498196 4648.599045 1333.161809 2135.085665 2832.22509 1479.456396 1892.545839 1790.732008 1006.635168 1558.513575 842.7333403 573.2420679 3392.035569 2369.193579 PS 40:8; [M-H]-@4.98 409.7917578 544.8622929 37.74176945 8.294658601 64.17320971 96.6697037 263.4970931 201.3656859 395.8634487 100.1029717 182.0106251 16.55689248 316.8706038 39.40072538 60.8669052 647.7142887 676.8537384 410.5202069 111.3296397 184.877007 362.0868011 49.41522265 123.4559792 174.0769316 148.3944454 51.72455314 157.6684002 1445.511645 lysoPE 18:1; [M-H]-@1.75 1273.299176 2666.552839 1419.081147 906.7012421 1609.331303 554.352572 2076.111517 1865.682905 1450.589466 1346.253129 1615.797734 3094.246934 2124.542466 5241.854437 937.5292125 2387.63418 2182.469304 567.6551702 1695.672689 1528.639954 4595.005866 1585.683024 2169.762391 1512.110312 3056.335545 781.1772036 4172.67512 1971.859745 lysoPE 20:3; [M-H]-@1.61 264.5866221 58.78824227 1177.759768 82.16433608 652.445732 504.0437603 110.5425124 671.1384717 381.7503579 86.43128406 327.49474 1216.823012 404.5720095 773.1950143 487.2234687 123.2148089 732.2416954 129.3221523 480.1324641 252.6255245 945.346367 2303.106492 687.1277038 294.1422618 610.8197845 1094.973296 169.7735706 377.9221593 lysoPE 22:5; [M-H]-@1.72 941.653629 1115.561235 691.1089242 505.2767507 2527.457408 812.2518326 1053.05158 1097.431072 646.6759663 81.71398762 1581.396542 1651.785396 409.6765274 962.6337169 238.8083569 1934.328189 1679.128967 894.7436354 78.98876372 1510.763391 672.7507499 1822.399539 149.2072131 369.0318165 662.4344242 1266.093438 1883.045706 871.134399 lysoPE 22:6; [M-H]-@1.29 603.0065384 1037.891947 409.0956589 324.1084566 1094.291228 201.5580292 911.2684079 1492.569509 1784.362712 1180.213171 1604.263594 460.3562117 678.9512494 510.963909 159.6388872 718.8750751 551.2625207 791.0607862 76.1844021 381.7771221 1153.678444 1361.947769 92.47121833 250.458409 350.9150064 775.5446448 555.1041827 1069.297353 plasmenyl-PE 28:0; [M-H]-@5.79 636.4269018 695.8144896 643.0927267 363.0296862 365.1093481 126.987129 819.1796943 760.1177427 783.6567353 293.4892203 479.9778725 1181.132851 249.3840319 810.7297378 200.0910432 749.240664 1547.147311 493.3395951 616.3206584 966.2006469 2775.097433 4363.694413 507.6688466 84.89647687 258.2928808 291.2391144 2750.94989 650.9480353 plasmenyl-PE 30:0; [M-H]-@6.45 1881.226633 2878.764153 5272.570396 1596.432624 1111.479113 344.7129574 891.831325 1725.586411 633.1122665 1203.183864 2882.373912 3275.776515 1114.987696 4081.835847 1736.768748 1831.688469 2072.501967 3733.021949 1912.054376 2585.365605 3847.078794 4703.081263 907.3692566 860.2886508 1404.428118 778.8097136 7277.23381 1646.575438 plasmenyl-PE 32:0; [M-H]-@7.07 15613.04746 11062.26148 24333.38095 2997.774561 8941.482968 1779.007008 14965.26322 11776.592 7480.528701 4730.206113 12368.10749 27100.06699 4623.352823 22886.34286 6874.35865 16417.9586 10234.56596 15032.84909 10698.20351 13365.46827 15519.82571 27546.42898 8327.479299 5959.621503 4159.702441 6305.386704 25624.43862 9660.973993 plasmenyl-PE 33:0; [M-H]-@7.21 426.9236574 1586.713537 2620.202136 417.3711967 1334.716272 193.754062 275.4442539 1331.361867 503.5292177 261.4967923 885.9446112 1072.548039 481.3422062 2732.677672 496.4054489 1747.292834 404.2336642 794.2720424 1332.670403 802.7046383 607.8633798 2770.859861 469.4199737 631.5615472 2042.061534 3290.812517 1364.625639 656.765416 plasmenyl-PE 34:0; [M-H]-@7.61 21068.29112 30077.62916 28668.43103 7187.247455 21904.80121 6784.155516 34430.97267 21327.3501 13466.13679 8896.545284 21929.27657 26256.63274 10291.84027 30693.84316 13395.16097 25909.43955 21610.19694 33849.70398 17939.08186 19413.39673 32378.99258 42481.77788 16977.55469 12284.06286 9058.202697 9972.874913 38472.10257 18142.76032 plasmenyl-PE 34:2; [M-H]-@6.67 652557.341 617004.8278 780413.6801 569585.1297 946185.5345 275355.7467 412907.4965 732216.3733 459598.3994 249399.9668 509658.3597 1212037.408 390326.8523 931754.6608 459292.4264 637970.4977 746631.3999 362080.1764 601460.0189 593742.8739 493946.502 809077.288 525789.3363 573515.1576 508472.9159 463170.2548 990395.4497 598725.9524 plasmenyl-PE 34:3; [M-H]-@6.31 21936.93737 26350.92289 34273.90973 17632.69624 36600.0699 4838.743753 15693.16294 38554.47322 13380.24578 8318.502484 19869.29805 44090.22541 15396.92626 35417.91877 15176.14769 25598.69325 29067.86229 16019.05834 17166.51328 21571.62532 17284.92594 31451.8194 15389.80172 22551.40389 13538.53512 13288.86201 43855.46263 27327.90254 plasmenyl-PE 35:1; [M-H]-@7.45 7940.556489 13825.59994 6154.786711 4117.499619 9614.651719 2810.869125 3633.805729 4938.45785 9391.03971 5145.229318 4862.287054 15057.17909 3606.569817 17543.12053 7295.932532 10656.54538 5435.618124 8639.968706 7773.043914 7105.414002 7142.128091 11008.11125 3617.889271 9989.125543 6171.458574 2989.573994 15052.68787 7716.648364 plasmenyl-PE 36:0; [M-H]-@8.10 4753.746093 4329.009922 3306.625466 3176.193941 5542.442025 1047.544398 1819.949211 2939.446919 2285.214876 1642.79293 1539.700803 4730.131545 3135.922317 4749.268978 4443.944005 4191.668674 5244.750858 3223.921864 5969.504429 3459.95461 3518.248873 4042.402141 4373.912581 2092.23739 1711.107135 2320.792131 5282.520923 1889.609565 plasmenyl-PE 36:2; [M-H]-@7.29 543742.134 789536.8839 621983.566 547013.3076 1170717.061 364788.1814 558677.7956 693754.2964 547080.7132 410971.0987 513740.6587 1083909.834 474869.6239 826395.0284 662020.7606 737333.9852 809548.7611 398608.4976 789163.241 714113.353 616371.1668 826144.5938 569741.3717 641575.8139 462894.4408 430143.056 870252.3286 663856.6696 plasmenyl-PE 36:3; [M-H]-@6.91 509950.7831 709040.2955 590971.3229 525072.4169 796567.0006 269558.464 497748.8485 533810.3192 457305.6451 298658.5863 489490.1409 851490.2044 383124.906 743389.1822 476222.195 581992.9851 705442.8209 366293.1643 526657.7734 521506.1578 468167.8754 624635.5573 364161.5568 499843.175 423717.7442 335380.4682 807296.0951 513885.2192 plasmenyl-PE 38:5; [M-H]-@6.75 599709.5548 618571.1425 681897.194 324316.1972 810476.4801 274917.0394 524804.7112 550170.8082 624019.4843 437903.0648 424995.0331 822760.4027 406763.011 680477.7329 457330.0304 593835.3207 708809.4218 760343.2072 612467.9343 570114.4922 740760.5313 821195.698 565375.5074 351154.7096 447132.2278 312693.7036 1020246.565 510262.6276 plasmenyl-PE 38:6; [M-H]-@6.54 190256.263 194905.7618 324371.0505 98671.13885 179426.6219 44125.6674 102529.6795 203573.1337 236955.6862 101158.9858 112028.9662 186452.5682 111590.0539 183247.9172 110865.9553 156137.7211 213740.9325 252815.4363 202083.8901 159965.9837 167554.8038 300731.6667 215452.5481 95608.6915 104741.7587 117058.2482 379566.4242 153235.699 plasmenyl-PE 40:5; [M-H]-@7.42 162757.8202 185900.8094 182803.4814 72225.65969 232414.8486 77242.83466 142447.6123 157750.9647 145186.8737 92745.22445 113160.9261 219302.1974 102195.7736 172904.3303 131181.3519 149119.8215 188039.7408 183730.6641 155336.9029 160885.9117 195023.9391 246597.652 163182.0606 93141.30816 124439.049 90351.4318 253613.7485 139715.7203 plasmenyl-PE 40:6; [M-H]-@7.17 94285.8352 107605.0794 156305.7131 17879.01537 67740.03971 18220.16076 51198.97518 81187.20338 135654.547 54985.81496 45240.29465 59626.00274 61078.00697 60454.13471 76959.11218 74245.3457 94257.44093 79391.15271 122809.2643 61613.0902 170392.8325 205726.392 85098.66267 57667.81547 72116.96453 51881.33701 165613.9942 97831.89112 plasmenyl-PE 42:4; [M-H]-@8.03 4292.894673 5186.936569 6274.70941 893.1707417 6368.182075 1478.290388 2425.108681 2579.057794 1441.423813 1219.8285 1715.651016 6929.640273 1055.689396 5001.057795 2610.83172 3106.664782 4606.051826 3097.028169 4772.076616 2500.402947 2439.369195 4534.521064 5212.268214 3201.959892 3712.489316 3936.249135 6381.818018 2176.325759 plasmenyl-PE 42:5; [M-H]-@7.86 7318.378191 12435.23745 14783.3175 4926.084053 9658.266602 3471.218627 6895.078398 6500.753695 3730.742091 3173.178385 5103.146661 6827.146488 3739.094624 13086.91877 5409.924408 8309.284348 21240.33268 7899.215946 4940.075425 6454.532516 7222.920125 8655.472588 12872.03626 6787.330109 7115.655087 3270.774317 18992.9445 8779.714289 plasmenyl-PE 42:6; [M-H]-@7.73 11842.40485 16249.20261 13276.99161 2130.301008 4366.344276 1969.991086 4814.406741 6601.932019 6348.088418 5555.63313 7481.548603 8069.802288 2779.814526 4985.122856 2169.824422 6217.61336 17567.26487 632.2737813 3108.52131 9408.025887 10425.16687 15105.49 9472.630263 4896.750546 149.3143513 309.5893842 18525.07735 1066.888698 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 Arachidonic acid 303.2329 1.76 Time, min 444899 CL 66:1; [M-2H](2-)@6.22 688.4861 6.22 Time, min CL(66:1) LipidMaps Bulk ID CL 70:1; [M-2H](2-)@6.02 716.5174 6.02 Time, min CL(70:1) LipidMaps Bulk ID CL 70:5; [M-2H](2-)@5.92 712.4861 5.92 Time, min CL(70:5) LipidMaps Bulk ID CL 70:6; [M-2H](2-)@9.10 711.4783 9.1 Time, min CL(70:6) LipidMaps Bulk ID CL 70:7; [M-2H](2-)@8.87 710.4705 8.87 Time, min CL 70:7 LipidBLAST CL 72:5; [M-2H](2-)@9.51 726.5018 9.51 Time, min CL(72:5) LipidMaps Bulk ID CL 72:6; [M-2H](2-)@9.35 725.4939 9.35 Time, min CL(72:6) LipidMaps Bulk ID CL 72:7; [M-2H](2-)@9.15 724.4861 9.15 Time, min CL(72:7) LipidMaps Bulk ID CL 72:8; [M-2H](2-)@8.94 723.4783 8.94 Time, min CL(72:8) LipidMaps Bulk ID CL 72:9; [M-2H](2-)@8.79 722.4705 8.79 Time, min CL 72:9 LipidBLAST CL 74:1; [M-2H](2-)@6.67 744.5487 6.67 Time, min CL(74:1) LipidMaps Bulk ID CL 74:7; [M-2H](2-)@6.10 738.5018 6.1 Time, min CL(74:7) LipidMaps Bulk ID CL 74:8; [M-2H](2-)@9.20 737.4939 9.2 Time, min CL(74:8) LipidMaps Bulk ID CL 74:9; [M-2H](2-)@9.04 736.4861 9.04 Time, min CL(74:9) LipidMaps Bulk ID CL 76:7; [M-2H](2-)@6.70 752.5174 6.7 Time, min CL(76:7) LipidMaps Bulk ID CL 78:3; [M-2H](2-)@6.10 770.5644 6.1 Time, min CL 78:3 LipidBLAST CL 78:5; [M-2H](2-)@6.38 768.5487 6.38 Time, min CL(78:5) LipidMaps Bulk ID CL 82:13; [M-2H](2-)@6.29 788.5174 6.29 Time, min CL 82:13 LipidBLAST CerP 34:1; [M-H]-@5.84 616.4706 5.84 Time, min CerP 34:1 LipidBLAST CerP 35:1; [M-H]-@6.15 630.4863 6.15 Time, min CerP 35:1 LipidBLAST CerP 42:1; [M-H]-@8.17 728.5958 8.17 Time, min CerP 42:1 LipidBLAST CerP 42:2; [M-H]-@7.66 726.5801 7.66 Time, min CerP 42:2 LipidBLAST FFA(16:0) 255.2329 2.18 Time, min FA(16:0) LipidMaps Bulk ID FFA(18:0) 283.2642 3.13 Time, min 5281 LMFA01010018 LIPIDMAPS FFA(18:1) 281.2486 2.4 Time, min FA(18:1) LipidMaps Bulk ID FFA(18:2) 279.2329 1.84 Time, min FA(18:2) LipidMaps Bulk ID FFA(20:0) 311.2955 4.17 Time, min 10467 LMFA01010020 LIPIDMAPS FFA(20:1) 309.2799 3.3 Time, min FA(20:1) LipidMaps Bulk ID FFA(20:2) 307.2642 2.64 Time, min FA(20:2) LipidMaps Bulk ID FFA(22:0) 339.3268 5.17 Time, min 8215 LMFA01010022 LIPIDMAPS FFA(22:1) 337.3112 4.28 Time, min FA(22:1) LipidMaps Bulk ID FFA(22:2) 335.2955 3.59 Time, min FA(22:2) LipidMaps Bulk ID FFA(22:3) 333.2799 2.99 Time, min FA(22:3) LipidMaps Bulk ID FFA(24:0) 367.3581 6.07 Time, min 11197 LMFA01010024 LIPIDMAPS FFA(24:1) 365.3425 5.22 Time, min FA(24:1) LipidMaps Bulk ID FFA(24:2) 363.3268 4.57 Time, min FA(24:2) LipidMaps Bulk ID FFA(24:3) 361.3112 3.99 Time, min 52921854 LMFA01030902 LIPIDMAPS PA 34:2; [M-H]-@6.21 671.4652 6.21 Time, min PA(34:2) LipidMaps Bulk ID PA 35:1; [M-H]-@6.16 687.4965 6.16 Time, min PA(35:1) LipidMaps Bulk ID PA 36:2; [M-H]-@6.86 699.4965 6.86 Time, min PA(36:2) LipidMaps Bulk ID PA 36:3; [M-H]-@6.18 697.4808 6.18 Time, min PA(36:3) LipidMaps Bulk ID PA 37:2; [M-H]-@6.37 713.5121 6.37 Time, min PA(37:2) LipidMaps Bulk ID PA 38:6; [M-H]-@6.09 719.4652 6.09 Time, min PA(38:6) LipidMaps Bulk ID PC 19:2; [M-Ac-H]-@1.32 606.3407 1.32 Time, min PC 19:2 LipidBLAST PC 28:0; [M-Ac-H]-@5.21 736.5129 5.21 Time, min PC(28:0) LipidMaps Bulk ID PC 30:2; [M-Ac-H]-@4.87 760.5129 4.87 Time, min PC(30:2) LipidMaps Bulk ID PC 31:0; [M-Ac-H]-@6.18 778.5598 6.18 Time, min PC(31:0) LipidMaps Bulk ID PC 32:1; [M-Ac-H]-@6.05 790.5598 6.05 Time, min PC(32:1) LipidMaps Bulk ID PC 32:2; [M-Ac-H]-@5.54 788.5442 5.54 Time, min PC(32:2) LipidMaps Bulk ID PC 33:3; [M-Ac-H]-@5.51 800.5442 5.51 Time, min PC(33:3) LipidMaps Bulk ID PC 34:2; [M-Ac-H]-@6.19 816.5754 6.19 Time, min PC(34:2) LipidMaps Bulk ID PC 35:1; [M-Ac-H]-@6.95 832.6068 6.95 Time, min PC(35:1) LipidMaps Bulk ID PC 36:0; [M-Ac-H]-@7.72 848.6381 7.72 Time, min PC(36:0) LipidMaps Bulk ID PC 36:3; [M-Ac-H]-@6.32 842.5911 6.32 Time, min PC(36:3) LipidMaps Bulk ID PC 37:2; [M-Ac-H]-@7.10 858.6224 7.1 Time, min PC(37:2) LipidMaps Bulk ID PC 37:3; [M-Ac-H]-@6.70 856.6068 6.7 Time, min PC(37:3) LipidMaps Bulk ID PC 37:4; [M-Ac-H]-@6.49 854.5911 6.49 Time, min PC(37:4) LipidMaps Bulk ID PC 37:5; [M-Ac-H]-@5.98 852.5754 5.98 Time, min PC(37:5) LipidMaps Bulk ID PC 37:6; [M-Ac-H]-@5.79 850.5598 5.79 Time, min PC(37:6) LipidMaps Bulk ID PC 38:1; [M-Ac-H]-@7.71 874.6537 7.71 Time, min PC(38:1) LipidMaps Bulk ID PC 38:7; [M-Ac-H]-@5.51 862.5598 5.51 Time, min PC(38:7) LipidMaps Bulk ID PC 39:3; [M-Ac-H]-@7.33 884.6381 7.33 Time, min PC(39:3) LipidMaps Bulk ID PC 39:5; [M-Ac-H]-@6.51 880.6068 6.51 Time, min PC(39:5) LipidMaps Bulk ID PC 39:6; [M-Ac-H]-@6.36 878.5911 6.36 Time, min PC(39:6) LipidMaps Bulk ID PC 40:2; [M-Ac-H]-@7.83 900.6694 7.83 Time, min PC(40:2) LipidMaps Bulk ID PC 40:7; [M-Ac-H]-@6.08 890.5911 6.08 Time, min PC(40:7) LipidMaps Bulk ID PC 42:10; [M-Ac-H]-@5.68 912.5754 5.68 Time, min PC(42:10) LipidMaps Bulk ID PC 42:9; [M-Ac-H]-@5.90 914.5911 5.9 Time, min PC(42:9) LipidMaps Bulk ID PC 44:4; [M-Ac-H]-@8.42 952.7007 8.42 Time, min PC(44:4) LipidMaps Bulk ID PE 30:0; [M-H]-@6.08 662.4761 6.08 Time, min PE(30:0) LipidMaps Bulk ID PE 32:0; [M-H]-@6.68 690.5074 6.68 Time, min PE(32:0) LipidMaps Bulk ID PE 32:1; [M-H]-@6.21 688.4917 6.21 Time, min PE(32:1) LipidMaps Bulk ID PE 33:2; [M-H]-@6.08 700.4917 6.08 Time, min PE(33:2) LipidMaps Bulk ID PE 34:0; [M-H]-@6.53 718.5387 6.53 Time, min PE(34:0) LipidMaps Bulk ID PE 34:3; [M-H]-@5.98 712.4917 5.98 Time, min PE(34:3) LipidMaps Bulk ID PE 34:4; [M-H]-@5.70 710.4761 5.7 Time, min PE(34:4) LipidMaps Bulk ID PE 35:0; [M-H]-@7.56 732.5543 7.56 Time, min PE(35:0) LipidMaps Bulk ID PE 35:1; [M-H]-@7.12 730.5387 7.12 Time, min PE(35:1) LipidMaps Bulk ID PE 35:3; [M-H]-@6.22 726.5074 6.22 Time, min PE(35:3) LipidMaps Bulk ID PE 35:4; [M-H]-@6.06 724.4917 6.06 Time, min PE(35:4) LipidMaps Bulk ID PE 36:2; [M-H]-@6.97 742.5387 6.97 Time, min PE(36:2) LipidMaps Bulk ID PE 36:3; [M-H]-@6.52 740.5231 6.52 Time, min PE(36:3) LipidMaps Bulk ID PE 36:5; [M-H]-@5.95 736.4917 5.95 Time, min PE(36:5) LipidMaps Bulk ID PE 37:2; [M-H]-@7.16 756.5543 7.16 Time, min PE(37:2) LipidMaps Bulk ID PE 37:5; [M-H]-@5.71 750.5074 5.71 Time, min PE(37:5) LipidMaps Bulk ID PE 38:1; [M-H]-@7.89 772.5856 7.89 Time, min PE(38:1) LipidMaps Bulk ID PE 38:2; [M-H]-@6.83 770.57 6.83 Time, min PE(38:2) LipidMaps Bulk ID PE 38:3; [M-H]-@7.22 768.5543 7.22 Time, min PE(38:3) LipidMaps Bulk ID PE 38:5; [M-H]-@6.49 764.5231 6.49 Time, min PE(38:5) LipidMaps Bulk ID PE 38:6; [M-H]-@6.07 762.5074 6.07 Time, min PE(38:6) LipidMaps Bulk ID PE 39:4; [M-H]-@7.12 780.5543 7.12 Time, min PE(39:4) LipidMaps Bulk ID PE 40:2; [M-H]-@8.09 798.6013 8.09 Time, min PE(40:2) LipidMaps Bulk ID PE 40:3; [M-H]-@7.05 796.5856 7.05 Time, min PE(40:3) LipidMaps Bulk ID PE 40:7; [M-H]-@6.36 788.5231 6.36 Time, min PE(40:7) LipidMaps Bulk ID PE 40:8; [M-H]-@5.85 786.5074 5.85 Time, min PE(40:8) LipidMaps Bulk ID PE 42:1; [M-H]-@8.83 828.6483 8.83 Time, min PE(42:1) LipidMaps Bulk ID PE 42:2; [M-H]-@8.55 826.6326 8.55 Time, min PE(42:2) LipidMaps Bulk ID PE 42:4; [M-H]-@8.06 822.6013 8.06 Time, min PE(42:4) LipidMaps Bulk ID PE 44:4; [M-H]-@8.52 850.6326 8.52 Time, min PE(44:4) LipidMaps Bulk ID PG 32:0; [M-H]-@5.80 721.5019 5.8 Time, min PG(32:0) LipidMaps Bulk ID PG 33:0; [M-H]-@6.09 735.5176 6.09 Time, min PG(33:0) LipidMaps Bulk ID PG 34:1; [M-H]-@5.84 747.5176 5.84 Time, min PG(34:1) LipidMaps Bulk ID PG 34:2; [M-H]-@5.46 745.5019 5.46 Time, min PG(34:2) LipidMaps Bulk ID PG 35:1; [M-H]-@6.13 761.5333 6.13 Time, min PG(35:1) LipidMaps Bulk ID PG 36:0; [M-H]-@6.93 777.5646 6.93 Time, min PG(36:0) LipidMaps Bulk ID PG 36:2; [M-H]-@6.13 773.5333 6.13 Time, min PG(36:2) LipidMaps Bulk ID PG 36:3; [M-H]-@5.30 771.5176 5.3 Time, min PG(36:3) LipidMaps Bulk ID PG 36:4; [M-H]-@4.95 769.5019 4.95 Time, min PG(36:4) LipidMaps Bulk ID PG 38:5; [M-H]-@5.50 795.5176 5.5 Time, min PG(38:5) LipidMaps Bulk ID PI 34:1; [M-H]-@5.71 835.5337 5.71 Time, min PI(34:1) LipidMaps Bulk ID PI 34:2; [M-H]-@5.30 833.518 5.3 Time, min PI(34:2) LipidMaps Bulk ID PI 36:1; [M-H]-@6.32 863.5649 6.32 Time, min PI(36:1) LipidMaps Bulk ID PI 36:2; [M-H]-@5.92 861.5493 5.92 Time, min PI(36:2) LipidMaps Bulk ID PI 36:3; [M-H]-@5.43 859.5337 5.43 Time, min PI(36:3) LipidMaps Bulk ID PI 36:4; [M-H]-@5.26 857.518 5.26 Time, min PI(36:4) LipidMaps Bulk ID PI 38:3; [M-H]-@6.10 887.5649 6.1 Time, min PI(38:3) LipidMaps Bulk ID PI 38:4; [M-H]-@5.87 885.5493 5.87 Time, min PI(38:4) LipidMaps Bulk ID PI 38:5; [M-H]-@5.43 883.5337 5.43 Time, min PI(38:5) LipidMaps Bulk ID PI 40:4; [M-H]-@6.33 913.5806 6.33 Time, min PI(40:4) LipidMaps Bulk ID PI 40:5; [M-H]-@6.01 911.5649 6.01 Time, min PI(40:5) LipidMaps Bulk ID PI 40:6; [M-H]-@5.84 909.5493 5.84 Time, min PI(40:6) LipidMaps Bulk ID PS 34:2; [M-H]-@5.36 758.4972 5.36 Time, min PS(34:2) LipidMaps Bulk ID PS 36:1; [M-H]-@6.43 788.5442 6.43 Time, min PS(36:1) LipidMaps Bulk ID PS 36:2; [M-H]-@6.01 786.5285 6.01 Time, min PS(36:2) LipidMaps Bulk ID PS 36:3; [M-H]-@5.54 784.5129 5.54 Time, min PS(36:3) LipidMaps Bulk ID PS 38:3; [M-H]-@6.22 812.5442 6.22 Time, min PS(38:3) LipidMaps Bulk ID PS 38:4; [M-H]-@6.01 810.5285 6.01 Time, min PS(38:4) LipidMaps Bulk ID PS 38:5; [M-H]-@5.57 808.5129 5.57 Time, min PS(38:5) LipidMaps Bulk ID PS 40:4; [M-H]-@6.43 838.5598 6.43 Time, min PS(40:4) LipidMaps Bulk ID PS 40:5; [M-H]-@6.12 836.5442 6.12 Time, min PS(40:5) LipidMaps Bulk ID PS 40:6; [M-H]-@5.88 834.5285 5.88 Time, min PS(40:6) LipidMaps Bulk ID PS 40:7; [M-H]-@5.45 832.5129 5.45 Time, min PS(40:7) LipidMaps Bulk ID PS 40:8; [M-H]-@4.98 830.4972 4.98 Time, min PS(40:8) LipidMaps Bulk ID lysoPE 18:1; [M-H]-@1.75 478.2934 1.75 Time, min LPE(18:1) LipidMaps Bulk ID lysoPE 20:3; [M-H]-@1.61 502.2934 1.61 Time, min LPE(20:3) LipidMaps Bulk ID lysoPE 22:5; [M-H]-@1.72 526.2934 1.72 Time, min LPE(22:5) LipidMaps Bulk ID lysoPE 22:6; [M-H]-@1.29 524.2777 1.29 Time, min LPE(22:6) LipidMaps Bulk ID plasmenyl-PE 28:0; [M-H]-@5.79 618.4499 5.79 Time, min PE(P-28:0) LipidMaps Bulk ID plasmenyl-PE 30:0; [M-H]-@6.45 646.4812 6.45 Time, min PE(P-30:0) LipidMaps Bulk ID plasmenyl-PE 32:0; [M-H]-@7.07 674.5124 7.07 Time, min PE(P-32:0) LipidMaps Bulk ID plasmenyl-PE 33:0; [M-H]-@7.21 688.5281 7.21 Time, min PE(P-33:0) LipidMaps Bulk ID plasmenyl-PE 34:0; [M-H]-@7.61 702.5438 7.61 Time, min PE(P-34:0) LipidMaps Bulk ID plasmenyl-PE 34:2; [M-H]-@6.67 698.5124 6.67 Time, min PE(P-34:2) LipidMaps Bulk ID plasmenyl-PE 34:3; [M-H]-@6.31 696.4968 6.31 Time, min PE(P-34:3) LipidMaps Bulk ID plasmenyl-PE 35:1; [M-H]-@7.45 714.5438 7.45 Time, min PE(P-35:1) LipidMaps Bulk ID plasmenyl-PE 36:0; [M-H]-@8.10 730.5751 8.1 Time, min PE(P-36:0) LipidMaps Bulk ID plasmenyl-PE 36:2; [M-H]-@7.29 726.5438 7.29 Time, min PE(P-36:2) LipidMaps Bulk ID plasmenyl-PE 36:3; [M-H]-@6.91 724.5281 6.91 Time, min PE(P-36:3) LipidMaps Bulk ID plasmenyl-PE 38:5; [M-H]-@6.75 748.5281 6.75 Time, min PE(P-38:5) LipidMaps Bulk ID plasmenyl-PE 38:6; [M-H]-@6.54 746.5124 6.54 Time, min PE(P-38:6) LipidMaps Bulk ID plasmenyl-PE 40:5; [M-H]-@7.42 776.5594 7.42 Time, min PE(P-40:5) LipidMaps Bulk ID plasmenyl-PE 40:6; [M-H]-@7.17 774.5438 7.17 Time, min PE(P-40:6) LipidMaps Bulk ID plasmenyl-PE 42:4; [M-H]-@8.03 806.6064 8.03 Time, min PE(P-42:4) LipidMaps Bulk ID plasmenyl-PE 42:5; [M-H]-@7.86 804.5907 7.86 Time, min plasmenyl-PE 42:5 LipidBLAST plasmenyl-PE 42:6; [M-H]-@7.73 802.5751 7.73 Time, min PE(P-42:6) LipidMaps Bulk ID METABOLITES_END #END