#METABOLOMICS WORKBENCH araskind_20170605_140033 DATATRACK_ID:965 STUDY_ID:ST000681 ANALYSIS_ID:AN001049 PROJECT_ID:PR000481 VERSION 1 CREATED_ON June 30, 2017, 11:37 am #PROJECT PR:PROJECT_TITLE Retinal tissue knockout to study efflux of cholesterol (AGCA1/G1 double KO) PR:PROJECT_TYPE MS analysis PR:PROJECT_SUMMARY ABCA1 and AGCG1, which is important gene to efflux the cholesterol from the PR:PROJECT_SUMMARY cell/tissue, are knocked out in specific retinal tissue. PR:INSTITUTE Washington University in St Louis PR:DEPARTMENT Department of Ophthalmology and visual sicences PR:LABORATORY Apte Lab PR:LAST_NAME Ban PR:FIRST_NAME Norimitsu PR:ADDRESS 660 S. Euclid Ave. Box 8118 St. Louis, MO 63110 PR:EMAIL BanN@vision.wustl.edu PR:PHONE 314-362-6690 #STUDY ST:STUDY_TITLE ARetinal tissue knockout to study efflux of cholesterol (AGCA1/G1 double KO - TY ST:STUDY_TITLE and LysM cre) ST:STUDY_TYPE MS analysis ST:STUDY_SUMMARY ABCA1 and AGCG1, which is important gene to efflux the cholesterol from the ST:STUDY_SUMMARY cell/tissue, are knocked out in specific retinal tissue. T:RPE specific, ST:STUDY_SUMMARY L:macrophage specific. 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 5 ST:TOTAL_SUBJECTS 16 #SUBJECT SU:SUBJECT_TYPE Mouse SU:SUBJECT_SPECIES Mus musculus SU:TAXONOMY_ID 10090 #SUBJECT_SAMPLE_FACTORS: SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Additional sample data SUBJECT_SAMPLE_FACTORS SU0019504 S00027103 CRE:negative | SEX:m SUBJECT_SAMPLE_FACTORS SU0019505 S00027104 CRE:negative | SEX:f SUBJECT_SAMPLE_FACTORS SU0019506 S00027105 CRE:negative | SEX:f SUBJECT_SAMPLE_FACTORS SU0019507 S00027106 CRE:negative | SEX:m SUBJECT_SAMPLE_FACTORS SU0019508 S00027107 CRE:Tyrosinase Cre | SEX:m SUBJECT_SAMPLE_FACTORS SU0019509 S00027108 CRE:Tyrosinase Cre | SEX:f SUBJECT_SAMPLE_FACTORS SU0019510 S00027109 CRE:Tyrosinase Cre | SEX:m SUBJECT_SAMPLE_FACTORS SU0019511 S00027110 CRE:Tyrosinase Cre | SEX:m SUBJECT_SAMPLE_FACTORS SU0019512 S00027111 CRE:negative | SEX:m SUBJECT_SAMPLE_FACTORS SU0019513 S00027112 CRE:negative | SEX:m SUBJECT_SAMPLE_FACTORS SU0019514 S00027113 CRE:negative | SEX:m SUBJECT_SAMPLE_FACTORS SU0019515 S00027114 CRE:negative | SEX:f SUBJECT_SAMPLE_FACTORS SU0019516 S00027115 CRE:LysM Cre | SEX:f SUBJECT_SAMPLE_FACTORS SU0019517 S00027116 CRE:LysM Cre | SEX:f SUBJECT_SAMPLE_FACTORS SU0019518 S00027117 CRE:LysM Cre | SEX:f SUBJECT_SAMPLE_FACTORS SU0019519 S00027118 CRE:LysM Cre | SEX:f #COLLECTION CO:COLLECTION_SUMMARY - #TREATMENT TR:TREATMENT_SUMMARY - #SAMPLEPREP SP:SAMPLEPREP_SUMMARY - SP:SAMPLEPREP_PROTOCOL_FILENAME A004 - Shotgun Lipidomics.pdf #CHROMATOGRAPHY CH:CHROMATOGRAPHY_TYPE Reversed phase MS:INSTRUMENT_NAME ABI Sciex 5600+ TripleTOF CH:COLUMN_NAME Waters Acquity HSS T3 (50 x 2.1mm, 1.8um) #ANALYSIS AN:ANALYSIS_TYPE MS AN:ANALYSIS_PROTOCOL_FILE A004 - Shotgun Lipidomics.pdf #MS MS:MS_COMMENTS - MS:INSTRUMENT_NAME ABI Sciex 5600+ TripleTOF MS:INSTRUMENT_TYPE Triple TOF MS:MS_TYPE ESI MS:ION_MODE POSITIVE #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS peak area normalized MS_METABOLITE_DATA_START Samples S00027103 S00027104 S00027105 S00027106 S00027107 S00027108 S00027109 S00027110 S00027111 S00027112 S00027113 S00027114 S00027115 S00027116 S00027117 S00027118 Factors CRE:negative | SEX:m CRE:negative | SEX:f CRE:negative | SEX:f CRE:negative | SEX:m CRE:Tyrosinase Cre | SEX:m CRE:Tyrosinase Cre | SEX:f CRE:Tyrosinase Cre | SEX:m CRE:Tyrosinase Cre | SEX:m CRE:negative | SEX:m CRE:negative | SEX:m CRE:negative | SEX:m CRE:negative | SEX:f CRE:LysM Cre | SEX:f CRE:LysM Cre | SEX:f CRE:LysM Cre | SEX:f CRE:LysM Cre | SEX:f DG 32:0; [M+NH4]+@7.88 35306.86306 63454.76137 31980.93358 61607.32711 40878.80153 38707.11975 48311.68518 37442.99309 47697.09442 40412.43474 52463.37688 52528.88348 53918.52774 48688.12508 55546.82424 77478.828 DG 34:0; [M+NH4]+@8.40 33189.09496 48111.5292 29043.04585 37108.72788 24005.92778 22407.75411 15762.25099 27586.61282 21972.5785 12624.7161 11507.64894 16792.30947 32225.74071 21544.63081 20621.13884 26723.57497 DG 34:2; [M+NH4]+@7.61 5753.978027 13417.53408 8661.062532 11657.87976 13300.46405 8265.644359 7535.389823 6265.429052 9530.647138 7347.19882 9698.230731 7523.229818 10823.7158 3377.696455 8389.895335 8886.869944 DG 35:1; [M+NH4]+@8.20 342.1301537 1130.889633 1738.904228 1774.015489 1479.732555 1338.230323 166.0129693 330.3628928 1706.900794 60.59278991 233.8936334 1545.197623 772.324412 1682.992691 1112.962933 657.1240549 DG 36:0; [M+NH4]+@8.88 8242.611711 5904.444093 7089.31259 9475.123711 5877.134272 11028.50261 6465.84123 9174.090786 6292.053069 5477.078914 6495.381916 4670.63423 16165.61715 8469.370819 6724.381685 9819.699691 DG 36:1; [M+NH4]+@8.48 11521.74137 11334.84516 11297.68691 12315.46632 7164.132902 6508.265404 8932.418327 6349.990195 9618.724691 8308.102481 13522.58032 6108.142873 16656.77085 8380.064753 17189.43189 10138.81313 DG 36:2; [M+NH4]+@8.10 17837.54428 19632.30597 14037.18756 15607.59998 7508.279988 5758.194989 2555.634476 8284.461149 8291.178864 3631.841173 3395.404726 8108.312693 9825.675443 13354.10104 11148.23225 8696.39275 DG 36:3; [M+NH4]+@7.76 11571.01829 19368.77911 9920.740801 17796.59804 11426.1144 23769.64379 14373.44983 22616.4978 21213.78654 14848.19924 15577.06249 22475.60883 9084.982723 17123.13635 13751.26133 17951.10845 DG 36:4; [M+NH4]+@7.53 87617.11567 106509.8413 78139.03372 109103.1046 142950.2796 121081.2026 73099.14544 67580.18808 77346.51879 63325.11916 49876.469 107924.2906 41304.856 41303.47979 69181.17509 79367.27535 DG 38:3; [M+NH4]+@8.31 21453.45452 19847.97031 18136.06238 17710.18807 15988.88707 13726.85313 12491.98023 10610.472 13595.77497 15408.18661 22618.40702 22354.42208 11973.2756 10952.19049 22483.1306 26203.60405 DG 38:4; [M+NH4]+@8.05 176178.8451 162107.6413 143590.0904 165559.0965 146728.8769 190526.4165 96306.44571 103918.4347 134726.2257 116542.7997 133190.1409 244464.4869 137487.0807 88911.84271 162818.9998 198569.8889 DG 38:5; [M+NH4]+@7.66 18019.86703 32519.62693 27888.91027 26318.27177 26196.1265 26693.2318 17254.86772 27968.33655 20059.73774 11979.42118 19949.68632 23444.50959 13884.15885 13373.21253 18944.95787 25501.57518 DG 38:6; [M+NH4]+@7.44 66195.68384 75945.75394 57046.43294 100864.828 85989.91671 75520.44614 86635.9615 83190.85692 84770.70904 56117.73679 82400.6887 77970.80751 42488.43439 39350.65499 75020.52983 83321.31929 DG 40:4; [M+NH4]+@8.43 1621.765456 4702.368917 3270.882012 2080.853815 1090.035834 2335.852176 2194.377652 2465.290513 1107.960394 1522.252096 2613.584268 2317.611979 2719.401191 2979.765443 2402.177659 3155.708379 DG 40:6; [M+NH4]+@7.97 111152.5773 102354.5813 86244.00489 137563.2673 107255.1122 116676.6993 99157.69475 104928.3134 113188.0759 87204.82229 90746.58555 88033.50157 101160.1945 107663.5326 86382.80805 114301.6727 DG 42:10; [M+NH4]+@7.06 27758.00597 16964.33768 8466.175222 14679.69122 13401.75459 13358.71762 17435.46753 9158.074158 12046.53709 13932.34093 20443.84483 17179.99406 6563.946522 11460.32095 15096.45214 11459.24443 DG 44:12; [M+NH4]+@6.99 17308.46729 15392.67392 13330.97042 16605.9722 19006.75851 10311.44838 19725.98346 16885.62293 19402.99515 15310.2299 24241.09313 14481.41345 18354.32389 19090.71219 18304.73792 22287.49276 MG 17:0; [M+Li]+@3.15 115791.5787 96852.0246 99394.79659 109372.2433 86902.11262 101575.1019 89700.39779 86546.63233 108443.2912 92700.72803 97990.45202 92095.72734 110908.7722 89423.53926 84327.42757 118829.5211 PC 30:1; [M+Na]+@5.49 9778.542745 6616.111892 8574.511942 6579.885811 6730.461877 10112.14561 8017.543764 7990.366257 7471.90271 5577.637947 12989.18545 5595.935209 11119.0245 12545.73734 7908.420647 11919.50619 PC 32:0; [M+H]+@6.59 22212545.92 20557162.06 19201008.46 24811502.98 20733236.77 21316685.03 20667591.8 20566191.04 23942766.63 20389905.8 25812232.74 20164586.47 25125156.55 23170274.66 21274357.18 25346388.34 PC 32:3; [M+H]+@6.05 52214.17438 34043.54668 43549.67205 58776.08655 31382.3541 36126.2837 56351.40982 43183.55408 48513.34069 56990.77035 76494.22854 54285.54511 73180.30544 62312.51044 50455.13395 97200.44458 PC 34:4; [M+Na]+@5.63 3455.636805 1509.692027 3442.16098 1418.820184 3669.370643 1633.497527 2455.178742 12556.8409 4103.467125 624.4272165 3469.546823 1118.906627 1654.807639 3821.488076 4191.706041 4139.632339 PC 35:2; [M+Na]+@6.64 947091.5003 932319.2241 867784.1812 956130.9258 826962.5721 824865.9086 897257.6508 864522.0072 999009.2327 846043.8302 962269.1531 905242.0363 911502.9436 744771.774 796586.0609 1008831.11 PC 35:4; [M+Na]+@5.99 48728.07207 31781.88222 33336.88383 35647.56033 30102.34554 43975.67655 34864.43784 37490.61215 39098.66917 37548.81019 32821.48694 46886.74682 13323.46304 24268.99639 24111.66113 45184.98083 PC 38:4; [M+H]+@8.85 17295.72107 20579.7086 32056.79955 23633.91433 12979.84918 19138.22791 51967.27707 14390.83122 40193.69465 24992.62601 43929.73011 40491.07163 62301.89008 56951.08218 55464.11431 38580.58011 PC 38:7; [M+Na]+@5.66 15702.15907 8347.297899 9308.355332 16679.09666 16409.61009 10119.82719 13366.88093 9955.018245 11457.47182 13257.63244 20042.69408 16983.12119 16096.12632 16191.78297 9854.11185 14140.66487 PC 40:5; [M+H]+@7.60 47101.40192 48608.17971 45471.29489 48815.13414 39189.67327 34650.90354 44160.80303 39591.80433 47835.23486 36631.33045 49359.95789 53077.03767 48741.58228 37190.77524 50294.45097 52665.41709 PC 40:8; [M+H]+@6.45 17768.6376 14810.30885 19233.38027 15391.02949 21969.65266 21434.46168 15880.41293 22390.39796 32805.17747 18201.34981 29434.31611 19958.49402 25364.05027 28614.15857 21780.9307 23051.84974 PC 40:9; [M+Na]+@5.49 3909.016134 6147.970885 10763.92148 7154.321486 7814.885959 9186.190894 7501.172891 7455.673662 6089.360089 4058.200444 7176.640951 3604.835854 5854.483463 7279.992857 6101.206198 7057.544754 PC 42:10; [M+Na]+@5.78 21004.69821 18314.97617 19732.89491 24966.4713 24079.84862 17857.39274 16676.88657 18065.56893 24727.95164 15329.74217 17428.71489 15116.80999 31833.16567 29822.55483 23836.81162 26340.54548 PC 42:11; [M+Na]+@5.36 5720.228042 5121.61043 4455.155748 7828.014521 10366.08015 8621.512575 6763.809997 8151.528185 10439.61496 6924.650353 17630.00846 15040.76402 6468.739137 13456.8736 9501.515176 13351.514 PC 42:4; [M+Na]+@7.85 7328.403879 7164.972956 3747.645456 8533.43543 2591.324792 5204.802234 2315.868774 3475.721081 4124.046006 1940.110544 3855.124388 2445.826413 3563.688684 4602.105854 5692.02791 4241.000291 PC 42:9; [M+H]+@6.86 39402.3007 31519.46112 39589.67928 42057.59348 39877.69227 29818.43175 30957.23212 19842.86995 40887.67229 19254.73199 52477.93795 37980.60154 39831.1151 47502.43054 29096.50307 57185.04354 PC 48:6; [M+Na]+@8.48 14210.19978 17598.09099 14741.59832 11826.02378 14446.8106 19987.63852 15929.7775 14413.83326 13389.60321 12496.145 10752.60241 12142.89544 13667.11828 13801.96715 14610.82874 14656.11987 PC 50:6; [M+Na]+@8.95 23572.53045 24823.65598 21862.14477 31464.6752 31372.08178 27083.21389 25733.98674 25391.90419 26681.24449 20545.67967 25149.36892 32896.86132 24618.80364 22603.51007 30010.5793 26800.72576 PE 21:4; [M+H]+@1.42 10186.28739 5748.789535 9594.391608 6942.262979 6300.270603 6165.274176 7050.619512 7698.855855 7570.698303 5603.342094 10401.80804 6437.621639 8372.30583 7241.868731 6826.471681 11563.56918 PE 32:1; [M+H]+@6.26 23219.97513 14974.02062 17663.56798 17383.69974 23115.29689 15108.95021 20656.30436 17006.20246 20542.53779 19909.60778 23988.6183 15156.0481 20385.38363 19418.45691 20964.26302 18686.2747 PE 34:1; [M+H]+@6.86 228265.365 215350.3122 201671.8285 247118.4635 176951.8414 200050.7519 201864.9519 194511.3712 274401.8254 215728.0255 261283.4714 201602.748 283448.2138 197651.3321 190916.0884 259685.8715 PE 34:2; [M+H]+@6.43 176429.7549 148127.7383 122232.8356 164583.3848 126539.0964 122938.5215 138158.2665 122833.8492 183478.9177 124406.5225 133520.0224 112967.4863 178358.2234 121885.2849 102174.1685 175797.3425 PE 34:3; [M+H]+@5.91 13326.96295 8022.783316 10839.39544 15584.42554 12675.86538 10372.76723 8122.388327 11009.17022 20392.55194 15176.31675 23287.10726 8065.685192 18863.42898 13149.00771 13184.65554 20014.56953 PE 36:2; [M+H]+@7.00 115020.7973 123765.0688 91883.01134 114997.4149 125759.0709 108992.5856 111446.1526 112685.6568 141124.1996 109390.4814 152436.644 121668.056 147544.3217 108311.1889 105133.5296 147433.7087 PE 36:4; [M+H]+@6.34 904640.386 776794.5143 643582.1411 840547.2823 707518.1037 808613.9138 686173.2144 742340.0921 859407.9902 613261.9364 701553.4414 721853.4281 959665.34 651396.1119 723240.09 990593.6278 PE 36:5; [M+H]+@5.92 161133.3595 92213.82869 121262.5688 169028.5838 144605.8622 103999.5065 137866.0326 142764.8375 188591.458 151854.6289 199377.7877 124233.3431 132257.7329 125727.8476 121960.1692 167078.0813 PE 36:6; [M+H]+@5.62 39866.12133 34773.20518 23656.31038 42109.39114 35980.16191 33867.17338 24941.32118 30792.77953 35053.63294 30771.44995 25738.64481 33665.24215 34204.94023 21004.09714 17404.88867 31669.66041 PE 37:6; [M+H]+@5.99 15953.50787 8785.485283 13346.36272 14113.70659 18285.29799 13213.16048 8713.648659 17067.79182 14485.25601 8511.329859 24519.58693 15371.06736 16418.66464 11107.61944 6483.182784 17737.63261 PE 38:2; [M+H]+@7.58 39872.47579 24675.99438 26958.785 28186.67938 33239.30875 32143.8372 28247.97661 34507.67673 42580.38949 34731.23809 30232.77102 36849.19109 39620.18106 24095.89847 24103.20964 26152.78102 PE 38:4; [M+H]+@7.01 3841084.596 3636037.01 3122266.717 3650139.691 2954341.009 3625113.183 3256675.041 3214464.43 3834274.45 2795169.631 3249787.979 3299716.576 4641342.991 2958147.521 2802366.247 4202879.825 PE 38:5; [M+H]+@6.54 1070775.469 993438.3324 1018009.993 1061924.051 932004.506 853043.3829 902638.2288 1010190.59 1207409.995 785219.1806 974817.9208 1030193.778 1176407.212 990446.9445 991762.6728 1240915.575 PE 38:6; [M+H]+@6.17 6705930.978 8166358.215 6482815.929 7871645.001 7275620.168 7503122.246 5621814.089 6776479.675 7787865.467 5980554.306 6605149.115 7932163.502 6619689.46 6130299.724 5876508.454 6920743.969 PE 38:7; [M+H]+@5.98 132808.7165 99279.79081 85504.21735 105353.2563 121715.238 111424.0011 95947.76541 111677.7303 115661.7875 90872.43212 89535.77397 84909.43325 79125.52953 69224.35085 77289.09637 97813.92212 PE 39:6; [M+H]+@6.61 47918.97954 36936.73279 30354.0573 51921.75799 57924.99369 29366.47526 31628.41296 47241.03838 50360.5694 47129.95423 78084.03169 78447.03736 49082.73946 49295.06273 41150.63706 65000.57788 PE 40:4; [M+H]+@7.42 432901.6601 325390.9 279436.3688 325324.6807 255697.5081 323972.209 311497.7196 266522.2559 312521.9654 283881.806 248801.1808 302635.9954 365314.7476 295938.8074 323656.1445 379716.9022 PE 40:5; [M+H]+@7.11 802724.0681 755219.4479 750549.7065 831918.0548 673965.4131 659916.6722 776188.3565 725248.3342 890708.6865 699577.1431 800447.7818 760224.1215 754632.7724 614080.5458 680423.8365 851019.694 PE 40:6; [M+H]+@6.88 9281043.98 9899728.097 8138393.614 9428699.942 8955792.052 9460099.674 7862010.317 8580447.105 10274013.09 7248826.747 10034349.48 9478305.967 8745563.449 8628808.43 8144855.905 10084812.93 PE 40:7; [M+H]+@6.37 1256154.261 1694935.452 1421827.96 1571404.814 1592893.623 1747385.333 1171082.825 1338416.582 1465459.692 1154225.479 1427351.672 1724233.753 1023911.871 1037021.256 1203667.865 1305161.396 PE 40:8; [M+H]+@5.97 163253.9979 303388.1687 248375.9476 257593.9015 388891.0525 397843.5554 294746.4964 410684.6397 361438.4021 193753.7857 339499.8385 367047.6175 232719.4851 307935.5973 324132.9071 380908.1762 PE 42:11; [M+Na]+@5.44 9940.760336 8777.604917 5953.372159 7670.946647 10277.31842 9710.067769 7493.446918 11353.11268 8833.531224 7444.860018 12636.83644 12613.39286 9031.158214 17964.55382 10158.28067 13813.84999 PE 42:5; [M+H]+@7.65 15627.45179 11748.85775 15980.762 15318.57057 15950.11627 21375.92257 20035.37593 18502.12442 16121.59083 19585.39029 12773.53084 29486.27306 28789.62431 12114.60144 24583.57735 30538.19084 PE 42:7; [M+H]+@7.01 30469.00612 45866.53228 48001.80683 39256.99605 35653.65542 29551.63246 30194.44608 36348.20616 46443.1762 31236.57135 43176.49449 45422.70897 27693.77489 34297.96146 40775.12804 42489.30959 PE 42:8; [M+H]+@6.52 87289.17438 115176.3738 119502.6905 109325.8302 121016.5187 128991.7876 78712.71438 103256.1447 106133.0621 86258.82215 116425.3448 122591.2425 80170.77157 81759.98087 91567.94948 93935.16919 PE 46:10; [M+H]+@6.88 592.1182772 10162.16682 7281.266766 7232.89612 5193.450776 6653.057353 3142.894272 6062.96577 5208.35149 3062.212729 3892.716252 7906.026255 5864.973094 6553.047127 4317.779985 4799.100473 SM 30:1; [M]+@4.41 15577.92214 8233.404905 5400.205007 5881.174282 3845.908837 2430.805094 1956.420541 4769.350732 3557.476725 4508.77572 2452.638091 4624.914225 4458.786393 4479.109926 8108.286687 3698.839578 SM 32:2; [M+Na]+@4.55 1126780.578 1136830.797 1089241.387 1185025.002 1056695.627 812113.3594 743090.38 1076838.023 1164835.549 654188.2171 542095.8105 1090732.058 584549.3791 553634.3783 580985.4598 863238.9798 SM 33:1; [M+Na]+@5.55 14290.34159 10108.69328 7405.597121 9987.894188 10636.06633 10815.9393 12851.80916 19976.40253 13119.39116 12230.08716 17923.73814 10633.7774 23581.0837 28863.15565 13404.70864 24494.74011 SM 34:0; [M+Na]+@6.16 1943.431053 3482.842545 2421.23015 3042.771436 1166.90413 936.6757244 614.3226797 2143.459506 2346.543642 881.2417811 917.2915452 1588.277651 2670.019587 1256.406184 2435.704305 2667.845743 SM 34:1; [M]+@5.83 13610420.19 14091910.37 10920915.71 15016264.26 14461845.77 18845493.32 16949214.64 19402554.31 19706825.21 11844277.9 15821263 15768654.72 19142731.52 20593436.39 13753187.07 22853564.86 SM 34:2; [M+Na]+@5.33 377035.2054 543111.441 374954.7373 340314.1215 399992.8107 408582.2353 330050.9766 415193.3821 399651.7745 322808.4752 290677.8524 394339.2818 226018.7218 240378.4624 227642.3022 296529.5102 SM 35:1; [M]+@6.22 4927862.112 4211201.046 3853263.706 4536591.793 3678549.175 3787945.557 3564416.68 3665008.119 4523771.178 3608692.192 4234710.599 3902289.204 5450971.907 4517609.569 3918081.443 5430490.926 SM 36:1; [M]+@6.71 3142732.429 3127921.352 3068879.435 2650308.301 2249280.428 2387865.223 2617704.393 2668626.535 3487553.472 2221296.085 3127244.463 2826376.739 3318713.528 3390835.376 2729109.56 3248941.33 SM 36:2; [M]+@6.01 1632322.82 1134489.276 1104335.542 1300920.924 1163388.819 1056880.542 1278576.497 947571.1391 1109648.827 966528.7675 870911.7789 767177.6215 1055661.199 848391.9751 752717.8066 943278.4688 SM 37:1; [M]+@6.90 57962.79912 36231.84542 17841.34287 25979.28987 39728.86977 31034.63016 31482.50699 28110.25978 18321.95962 33425.59609 34193.47847 34088.75405 46265.7248 30721.39674 26238.50018 54117.64433 SM 37:2; [M]+@6.45 17973.18765 7797.074911 8547.829116 22558.99811 10687.21887 7465.147665 13255.24147 9536.619656 8124.581151 10752.34413 12859.22396 5745.069922 4856.066741 12518.21266 7500.473401 7542.743596 SM 39:1; [M]+@7.54 15796.47185 11452.26044 11819.51596 13540.99679 9512.303266 6399.539028 9743.959389 11958.04258 9927.853367 10804.16178 6714.124519 8173.675881 12553.79459 7841.102073 7790.558402 9007.402884 SM 40:1; [M+Na]+@7.78 46365.00453 46488.38464 47977.38535 59358.59214 53103.09878 43087.94284 48827.09163 49898.64574 56054.58778 43525.41508 57559.18194 41644.16618 54272.86609 48958.64176 46764.70323 51518.4806 SM 41:1; [M]+@8.11 14585.56987 9055.055672 6836.883352 14778.72843 13308.23979 7947.565013 8567.508989 13441.10158 8301.09631 8493.756155 9664.18258 8860.172152 11887.12574 7245.975179 7354.914691 13569.98547 SM 41:2; [M]+@7.71 5495.10812 6412.975432 6696.230131 11337.49273 8057.297414 4102.893708 9190.625851 6431.052992 6559.898792 9618.570638 7184.633558 7224.474242 3254.461972 4303.4439 3852.364322 8206.821437 SM 42:1; [M+Na]+@8.32 49339.33107 65577.27554 58851.33023 54040.74803 41451.27657 49492.30976 42131.86719 53840.49495 57443.98912 35903.16383 38422.86354 36571.09023 66803.28417 46235.74031 35623.47638 50474.63123 SM 42:2; [M+Na]+@7.82 88858.69289 67533.43799 65197.92185 76731.50821 66736.64924 62111.91962 70476.35492 63594.5475 67601.15756 51428.71845 60359.81131 52441.62592 56708.19647 64967.24296 49668.69056 60557.67926 SM 44:2; [M]+@8.36 6154.594669 3737.187183 3888.768881 5898.33045 3453.204527 2954.219816 4446.147507 5506.299133 4933.607547 4258.461644 2817.356194 2917.028465 3145.283242 3626.907461 3045.550422 4659.951946 TG 42:0; [M+NH4]+@9.78 4533.312931 3263.265956 1937.165164 2756.798496 1855.47224 2516.527976 968.8906685 1306.638525 1091.924362 1460.726317 1488.991192 1883.659629 1837.470794 1687.650397 1471.797762 1703.559838 TG 44:1; [M+NH4]+@9.80 2040.25885 797.1687646 1340.847825 642.4138673 1083.81816 3686.793168 1783.55268 817.7070713 801.1835588 944.620422 1787.698589 2271.373442 3088.694757 1755.610984 1816.1333 2416.668703 TG 44:2; [M+NH4]+@9.55 938.399445 193.8512625 188.933512 81.14171867 841.8031421 932.3456011 330.6414834 235.1085936 214.5489681 475.7143045 516.9371779 761.4138737 738.3817033 881.1738591 481.379377 588.5478957 TG 46:0; [M+NH4]+@10.34 7665.427403 6144.776161 5449.85828 6726.956892 8733.539569 6530.63141 4137.300958 5863.59989 4767.852792 4023.484326 7044.250379 5415.33872 9852.238877 8178.942213 6521.029396 6884.274629 TG 46:1; [M+NH4]+@10.09 5140.696631 3687.019573 5627.884789 4277.533505 3312.454573 2738.73477 1228.771105 3459.573024 2787.612376 1730.569713 1956.49386 3570.390116 8099.803925 6586.630648 3118.260774 3507.739842 TG 46:2; [M+NH4]+@9.81 1338.832335 1661.958493 2729.913931 1331.084107 1824.857823 2954.704459 1651.494295 1052.132244 1405.858529 1164.484696 1519.687012 1900.84945 3167.994995 2344.909941 2114.912679 1187.999045 TG 48:1; [M+NH4]+@10.35 13509.28834 10121.68318 14229.30081 14094.47225 13471.57581 17144.56447 10987.80034 15564.69522 16563.34547 9914.87277 15651.5233 14546.40603 24915.08721 23777.84117 14425.95003 17816.88384 TG 48:2; [M+NH4]+@10.16 3638.098608 3566.142231 7557.903293 2361.722167 3630.15045 3872.729466 3364.503051 1588.712996 3454.461026 3674.419128 2896.56648 4360.568342 9179.366167 4022.366238 3234.723578 3666.267606 TG 48:3; [M+NH4]+@9.89 1858.325413 4027.377328 5460.468809 1756.252444 1000.426225 1247.753212 480.2632364 1651.304234 2230.228198 720.3845154 1068.105588 2032.18765 888.3768608 2229.528646 1480.103076 1740.567539 TG 49:1; [M+NH4]+@10.49 1068.738714 285.4086158 222.8956539 732.3761721 2407.061956 1642.001015 521.3879239 985.5807471 2175.549308 999.9949661 4202.868128 2219.712949 3862.21544 1842.210612 1898.962912 2415.17119 TG 49:2; [M+NH4]+@10.28 1206.602159 672.4606455 2081.685203 1667.50085 869.0701164 1305.084276 564.896795 868.3186023 1320.146934 1195.217088 485.671153 762.2131918 4467.27503 2062.79721 885.4911471 1079.799187 TG 50:0; [M+NH4]+@10.79 18823.83209 16541.14451 19220.45574 26581.08494 16377.90424 12514.63705 16163.68486 19876.88588 25480.1338 13034.98392 19845.72008 18299.03847 31176.9607 20205.8455 17227.54255 32096.44258 TG 50:1; [M+NH4]+@10.58 40970.75118 33148.45518 31571.19569 48752.29211 44747.181 50346.55073 37341.99672 48940.01345 65056.99276 39591.24956 49152.2693 47915.84158 75420.04242 62652.68556 38862.65813 71833.34141 TG 50:2; [M+NH4]+@10.39 16937.90326 15995.43306 27044.77999 13542.91215 14554.66017 13533.3042 11708.5803 15919.01259 17064.73598 10855.39471 17913.28565 13088.47894 30483.49707 24615.39036 9898.813254 13270.55536 TG 50:3; [M+NH4]+@10.20 2977.455572 5188.288303 14347.59152 3799.606077 4446.825754 4799.388356 3920.942156 3589.355466 4135.665447 5019.993265 7595.688143 6461.826316 13227.55619 3910.151673 3227.732774 5335.963221 TG 50:4; [M+NH4]+@9.96 1653.674258 2260.254883 3635.358509 635.7192467 1547.145085 2397.633535 1521.418921 1170.289901 2555.65504 1137.721626 2155.663132 2201.989172 4295.037481 2054.575069 301.8445667 2198.217926 TG 50:5; [M+NH4]+@9.76 1245.962944 1836.866947 1578.470665 266.5492467 1220.396615 581.7428706 868.6768469 937.6592806 1166.252784 1053.530963 1127.450196 1028.387508 394.0160532 704.8260824 925.129337 1027.642879 TG 51:1; [M+NH4]+@10.71 1808.013702 1962.42059 1147.505694 1129.835135 1185.871396 2022.229977 1344.759476 930.2093243 2320.736561 1007.054012 2994.213423 985.8746882 1570.09986 3334.531857 1330.408004 1745.91991 TG 52:0; [M+NH4]+@11.02 4417.023254 9322.68674 4495.597745 4987.655871 10437.98484 7324.359829 10009.29911 13517.6387 21470.25131 3243.90751 13557.97834 7171.655484 25658.02844 12848.71034 6995.013064 10186.74405 TG 52:1; [M+NH4]+@10.80 31650.79401 37480.92813 23730.96363 34359.50446 27142.06622 29580.39915 23926.46082 26474.35654 38696.34242 26879.36008 37769.23031 33186.87862 45776.18298 39927.93589 25664.08844 43593.69035 TG 52:2; [M+NH4]+@10.61 41232.64553 35769.73172 28942.75764 37024.5865 27310.60675 41158.27299 28074.51565 27030.82549 34106.6521 23226.62776 25817.44346 24132.33327 40591.35931 28254.46356 20343.70702 31047.42367 TG 52:3; [M+NH4]+@10.45 28020.14374 17326.07962 24242.82519 19053.03069 14264.31116 14178.36385 21932.59088 20927.0971 11805.09453 19253.48233 19653.58901 15135.96798 20273.19618 21222.9773 9979.615503 18427.73402 TG 52:4; [M+NH4]+@10.23 11399.55444 12917.94678 18905.79891 12544.02614 10450.0268 10999.48387 10740.75116 15341.13228 12254.14327 8087.31698 20558.39912 12756.63744 18743.25423 14957.36965 9855.828001 13305.66455 TG 52:5; [M+NH4]+@10.06 4899.263161 5363.630751 6651.704346 3724.609799 7231.411362 5528.256622 4888.32985 7666.487885 4556.164101 2885.048973 7357.074912 5383.551537 7287.69607 3180.45652 5203.596027 7928.042367 TG 52:6; [M+NH4]+@9.81 7198.36749 8629.829301 4909.816439 6570.101387 5255.958402 6280.342516 5474.21597 5264.084484 4972.516436 4527.374628 4591.230443 5478.49108 7256.05516 5328.83648 4097.29745 6278.558674 TG 53:0; [M+NH4]+@11.16 5303.966436 8758.621647 9461.125594 7589.820691 7589.862528 6793.343802 5877.152184 5607.66775 12818.09607 3315.252667 9445.039928 9201.790603 18023.62128 6621.136331 10338.67416 12401.34258 TG 53:1; [M+NH4]+@10.94 363.642733 352.1212529 157.5441366 349.9986239 736.0387128 1879.31307 600.365839 632.3797689 1228.826823 776.730656 226.5696275 1370.90673 1297.917645 1348.359936 806.7085389 834.8922646 TG 54:1; [M+NH4]+@11.06 4376.73587 3838.330293 3108.133398 4084.507916 5386.223768 9770.016801 4813.362977 5294.094368 8483.437151 6600.744725 6241.546002 5675.969321 6848.314174 11446.63952 4275.299904 12693.54963 TG 54:2; [M+NH4]+@10.87 13780.52339 12911.60372 7198.65485 9948.498572 7108.237619 8399.344151 9205.874477 6898.846927 8072.663327 8031.827571 7021.072841 7435.866006 10468.76348 10904.12033 4552.932513 10776.71337 TG 54:3; [M+NH4]+@10.67 32666.58843 20423.89879 18182.48656 15040.87996 10853.59757 13563.28806 15055.9251 13892.00075 12081.2306 14036.00666 10778.34609 14509.03687 18669.81061 21364.52199 11135.57361 17502.4356 TG 54:4; [M+NH4]+@10.48 24377.51876 20406.75586 18578.85075 23473.56819 15261.31416 22624.17156 17757.88316 19078.6517 17625.88004 14991.86082 20960.42469 14549.14419 27454.22989 17980.75167 15693.90185 20933.16115 TG 54:5; [M+NH4]+@10.32 26798.01637 28135.73878 29127.9178 30668.39042 23348.46161 27124.10294 20611.87195 21490.78861 27465.42559 19143.67354 31281.752 20414.95767 37013.21379 20595.71327 20356.13016 29219.66996 TG 54:6; [M+NH4]+@10.15 71777.73411 84442.06128 49315.99016 78115.08804 84945.11046 104475.4094 70838.87217 91339.29063 96704.77647 59545.2176 87413.66238 60660.81646 117125.0738 92431.64934 70490.66949 103511.2412 TG 54:7; [M+NH4]+@10.03 8008.328084 7481.196743 6726.813448 10976.08734 7651.299959 7064.705888 6383.434471 7855.24939 7834.524938 8534.999776 9930.951303 7964.788862 5175.564667 6645.848819 5818.071609 8303.347658 TG 54:8; [M+NH4]+@9.71 1348.11254 1290.665304 1705.184402 1683.503327 1603.051587 1110.578195 1189.219562 2528.032333 1603.378484 1790.27559 1888.530135 1368.787776 640.0223985 2286.55929 571.4685204 2518.092409 TG 56:0; [M+NH4]+@11.50 489.2564193 326.3348793 241.3781196 187.1066406 596.5366084 31.15853444 52.74876847 279.0065129 4.412284901 341.5186796 345.2534632 230.136486 253.5625174 282.3425217 455.6638348 513.1200044 TG 56:4; [M+NH4]+@10.77 10815.47503 11055.01467 10322.93858 9991.273493 11800.48357 9636.258811 9972.783712 8129.544899 9535.271652 8815.339322 6927.958919 7600.337026 11722.76661 7072.852886 8015.27191 11084.45725 TG 56:5; [M+NH4]+@10.61 16915.95096 13118.72108 14197.20159 14818.82769 11393.96588 14980.12892 10575.05634 13815.75376 12584.64964 16603.81539 16427.57645 20380.75774 21477.6091 12694.58563 12800.56837 30185.10964 TG 56:6; [M+NH4]+@10.48 44685.37291 34029.80067 35275.17475 47650.63544 38305.52422 46320.03505 27650.26526 40025.91633 41805.65864 41144.87112 41503.06059 51614.50123 73442.95281 31487.57052 33236.6668 71740.52483 TG 56:7; [M+NH4]+@10.27 37692.33195 44562.87295 35070.90851 50304.09474 36891.79948 43568.84745 30214.67033 30074.05548 40371.91112 29042.02294 31957.10405 26576.73809 50642.2483 27804.38999 29693.33569 35727.13711 TG 56:8; [M+NH4]+@10.10 5436.159567 10215.93037 7395.098108 7967.030841 7305.931686 6649.034983 7795.773837 7897.630743 8803.357598 4864.464531 6497.470052 6610.449883 11767.33579 8110.818514 4824.760077 9234.321131 TG 56:9; [M+NH4]+@9.87 806.768831 2669.089422 1854.696426 2548.523499 1626.832013 1584.125111 1415.539573 1514.09748 1565.525464 869.8363171 1059.013049 1537.51422 1518.164709 1408.521308 1139.356303 1819.493799 TG 58:1; [M+NH4]+@11.55 224.4322758 656.2570014 94.4701093 57.48435127 85.95828668 284.2770921 24.39319701 85.01789059 1553.617875 259.9583853 262.5149277 320.4312548 322.7749104 77.48360958 225.7702695 288.3322353 TG 58:10; [M+NH4]+@10.05 13129.97702 13315.14312 10101.83128 8591.491705 11430.09469 15576.9535 7670.069556 8475.845367 8076.03279 6211.079328 5415.71112 9392.198122 7547.419944 8034.529525 7080.890179 9461.995492 TG 58:11; [M+NH4]+@9.81 2381.680799 2492.626549 2512.73566 3520.547136 1280.702431 1892.485962 1747.507983 2062.231534 2457.910549 2383.891677 1765.89172 2562.681515 1280.095961 490.8876075 2004.763623 1910.566878 TG 58:5; [M+NH4]+@10.80 5173.110979 3681.176547 5210.980537 4659.610014 2456.244591 2212.298136 932.7890973 2363.85825 3060.933233 1475.991603 1771.173045 3150.823363 5780.018419 2858.647408 1940.702665 2653.747552 TG 58:6; [M+NH4]+@10.72 6287.03656 12017.12951 7561.374547 9935.419082 6338.024568 7252.303411 4845.942633 6425.616172 12173.16513 6742.717865 6932.363501 6815.337928 10054.4704 5609.304789 7314.868161 8341.29592 TG 58:7; [M+NH4]+@10.53 15456.15711 10748.01539 14787.39276 18454.18024 8005.629877 12483.18066 7562.867431 9834.907573 8984.708755 9297.666938 8465.41541 11768.05922 12361.59081 11704.23832 8702.39841 14652.52921 TG 58:8; [M+NH4]+@10.37 7747.245507 8717.614683 8926.232167 8133.648357 7429.622274 7903.792113 6714.251841 5437.451758 6846.116921 5135.39059 7905.66634 6455.875142 11890.95425 6404.546701 6363.543301 9084.777568 TG 58:9; [M+NH4]+@10.17 6336.132395 8547.140827 5582.232385 6823.889487 8740.916872 10422.36194 6701.695229 7539.532278 9473.3613 6888.917824 7874.14636 8308.085887 8245.754165 11245.27084 6116.190724 14714.18346 TG 60:10; [M+NH4]+@10.33 10563.40867 13981.51994 11089.36313 12188.52486 10727.99338 10739.58609 8483.350493 8031.579966 9923.836562 6243.672148 8930.370234 8914.692091 11699.42178 7615.055843 7762.592888 13053.27414 TG 60:12; [M+NH4]+@9.97 35653.65877 61693.67516 41172.11207 45410.64043 44181.44351 44652.439 27618.581 33825.88039 33288.09317 23957.63277 30957.54851 38682.11594 36760.97837 33903.3712 30205.95115 38935.53524 TG 60:13; [M+NH4]+@9.76 2251.398388 3071.330083 4182.237502 3529.55728 1530.664286 2346.972873 806.9624172 2059.061728 2466.910791 1059.377048 632.5727506 1882.943676 1003.279941 1240.820757 1437.709829 1776.65671 TG 62:11; [M+NH4]+@10.32 5068.999489 5574.086755 3219.179831 3635.582451 4159.710506 5234.579604 3941.551064 3479.913161 4850.628718 3402.645968 3621.254842 4391.348315 3859.200965 3368.819835 4220.012172 5500.012038 TG 62:12; [M+NH4]+@10.24 21609.4932 17601.96887 13068.00403 16116.58611 14128.75632 15544.24799 12129.72474 9817.085441 10014.45151 12552.04714 11547.0541 13570.02297 10026.25989 14797.49592 10443.95537 16647.68506 TG 62:14; [M+NH4]+@9.82 1446.259304 1987.609356 1146.098933 1856.128781 1991.96373 1505.028844 1354.27255 1566.290429 1615.542617 300.4533081 1436.264531 1044.606037 1739.443831 785.2291532 735.7498418 1262.842872 TG 64:15; [M+NH4]+@9.86 1107.872924 2245.556666 1597.507735 1844.234875 2104.966026 1940.103173 758.0101134 1385.627511 1209.473646 1640.003924 1479.368326 1633.161403 1278.125206 817.1238233 1350.625819 1149.339529 TG 64:16; [M+NH4]+@9.76 950.244624 687.451652 1198.981981 1498.132238 1205.359658 855.3119179 683.8702554 761.1880043 1070.801573 363.2113774 1094.496107 2253.120486 1113.05791 374.5171876 1048.112504 1128.604126 TG 66:18; [M+NH4]+@9.68 11168.0626 12219.47874 11820.8673 14622.14068 15552.06951 11897.94392 8342.540505 7591.455203 7822.935097 9121.045309 8943.577597 9388.684388 4018.029621 4363.397062 8786.426548 9569.486074 lysoPC 14:0; [M+H]+@1.14 2928.023872 2514.181932 1140.535069 4202.487619 3235.20663 3598.919941 3122.325387 3434.155178 4845.087 2797.479559 3312.040569 4512.418839 4635.5003 2349.219673 4251.334557 4681.302173 lysoPC 15:0; [M+H]+@1.40 3433.342418 1765.770718 871.6073327 2975.902019 3243.064415 2627.975139 2017.416557 4132.781434 4068.257728 3032.439524 4882.841993 2497.92484 3451.121804 3343.347208 2187.02209 3723.452384 lysoPC 16:0; [M+H]+@1.59 493501.8671 531991.9651 416092.3276 695040.7252 452823.6902 492168.691 429262.5245 627291.2901 757212.2936 622261.598 751134.318 767305.6489 1095379.034 995083.5799 796329.1537 1224112.845 lysoPC 16:1; [M+H]+@1.39 4868.159625 4391.548553 4505.383967 7011.194505 5928.363234 8711.577953 6830.982669 9969.162889 8125.48126 7964.376675 10174.9568 10899.61809 8284.3197 11339.91704 9711.836095 26734.78814 lysoPC 18:0; [M+Na]+@2.27 167772.8476 132338.825 96812.80996 184358.417 151706.5704 158618.7907 130770.7199 171905.4194 175935.7662 180454.0746 125667.7858 198610.9676 335333.8563 218581.3007 200341.573 327544.2408 lysoPC 19:0; [M+H]+@2.94 34769.14416 25868.12097 28874.14628 37234.96133 25726.52961 28062.67304 28698.98139 23743.39284 30738.30848 24015.34342 30623.9416 28507.44487 40732.41973 31707.64373 28300.35127 30260.11188 lysoPC 19:0; [M+Na]+@2.92 8626.237807 5774.308813 4642.716363 7146.283311 4841.469667 11070.99868 5977.462448 11596.37436 7374.211823 5518.338062 3452.652443 6820.21817 8089.152935 7541.793848 5048.289613 13011.45685 lysoPC 20:1; [M+H]+@2.56 5249.991105 3260.799028 2422.235859 6375.829513 5135.956152 4369.419452 4526.836889 6462.149864 6356.284469 9402.977882 7441.875119 5309.440046 7594.824946 9534.781489 6949.656528 11650.61557 lysoPC 22:4; [M+H]+@1.91 1131.892949 1314.203239 1611.810434 1693.636153 1336.060756 1245.662652 1568.448868 1973.419913 1516.206782 2048.030453 2240.161333 3011.569435 3404.468697 2551.648973 2448.932952 5093.177326 lysoPC 22:5; [M+Na]+@1.57 1325.332941 2143.553696 1257.303572 3649.463582 2002.422194 1895.121627 3430.922584 3261.782015 2733.123238 4515.794144 4487.639369 3220.461965 4014.666481 3046.794471 2308.60355 8627.610075 lysoPE 16:0; [M+H]+@1.66 19419.33053 23556.97111 16763.47122 31122.63277 30000.62214 34631.11575 24265.04401 40524.28348 33808.58442 23882.081 33020.15833 33120.06216 43258.99007 44661.29962 34170.58702 64869.07464 lysoPE 18:0; [M+H]+@2.50 81334.30498 79558.13709 65129.75683 106843.2039 72968.64409 76021.3778 67611.60211 91464.88697 95809.89906 82748.07751 91044.31223 97199.27813 172352.396 121411.8645 89612.9754 145809.2295 lysoPE 18:1; [M+H]+@1.85 12340.49104 8227.79186 7673.405179 18031.06052 11253.29914 11898.89922 11338.13223 15370.38447 16990.23507 16875.13502 15648.87663 13044.43845 17579.4922 16128.44939 16453.85945 29784.87023 lysoPE 18:2; [M+H]+@1.37 1878.664393 2424.953214 1755.376243 2425.529511 2613.740668 2872.461681 2586.456508 3669.460117 5786.35036 1581.38165 3365.415956 3096.29121 2921.927256 3310.158385 2859.877448 5724.406542 lysoPE 20:4; [M+H]+@1.38 17414.31911 21136.09942 26476.29188 39014.51337 19339.83653 26055.61864 19428.92157 25262.11037 28751.90849 20509.80391 44042.60708 33275.35767 35192.00598 30683.52076 22048.16511 42204.91515 lysoPE 22:6; [M+H]+@1.32 78990.66326 101626.7081 89959.57743 159006.7108 146865.5378 177342.6075 156264.8717 243299.2237 213013.38 146660.4162 239567.5688 247283.6214 212560.568 229953.0295 216978.614 521070.3535 plasmenyl-PC 18:0; [M+Na]+@1.68 26549.4447 21155.71996 23006.3724 38183.3324 26000.04421 27400.97288 21225.40969 39851.53667 40331.66505 39550.21592 41624.05453 46326.01524 48696.11186 42058.99357 51178.73009 97273.20151 plasmenyl-PC 20:0; [M+Na]+@2.59 697.8460795 1134.730434 621.7778302 1780.619395 295.5581856 1538.411168 844.5005055 2412.547738 1398.318401 1628.863897 1436.366369 2954.193656 1954.581344 1575.009611 1356.197344 2197.587668 plasmenyl-PC 32:0; [M+Na]+@7.04 25895.44118 13243.94343 10956.8514 18296.98003 17402.32984 11644.86922 15382.91406 16891.51627 21718.84661 12490.19954 17260.5478 15620.34435 17787.68973 16724.88083 11579.92008 15812.74558 plasmenyl-PC 34:1; [M+Na]+@7.14 54487.776 52661.09265 43031.86123 56572.50647 44631.67986 26849.51321 51493.9005 45569.72367 50190.7064 41492.19844 50225.55465 44953.11557 31175.5802 52536.25849 39057.69321 63169.83409 plasmenyl-PC 34:2; [M+Na]+@6.72 24071.45406 37448.42312 17071.50369 24888.47852 22436.3903 11005.02883 7674.693631 18544.89672 18588.75052 11555.62267 8375.710015 17177.28833 25035.12696 12790.88549 14844.10111 22044.47357 plasmenyl-PC 36:3; [M+Na]+@6.77 124041.8831 111460.012 121284.1354 119633.3101 105603.549 104126.2525 104407.5819 124410.1652 134865.04 64433.13727 102477.9933 104234.4486 125502.3171 90292.74858 100290.6749 152245.7001 plasmenyl-PE 34:0; [M+H]+@7.66 101174.6643 116946.3054 107573.9521 98989.93582 84633.76885 95680.94219 92599.3409 95251.05308 113829.892 78339.251 113425.8547 105300.4868 144064.5138 123695.9939 86404.16555 123562.7556 plasmenyl-PE 36:0; [M+H]+@8.22 5006.854156 4415.662875 5922.770598 4952.042278 5367.348601 6417.624297 5450.462939 3817.769523 8764.791719 4752.794527 4993.757552 6660.915139 7446.439856 4779.692872 5971.187252 4478.06032 plasmenyl-PE 36:1; [M+H]+@7.75 101010.955 100394.7812 75245.01493 111225.7899 91964.23516 99972.16258 95802.60499 78999.13954 95226.65424 78010.03419 66637.718 74529.37549 114878.7423 89841.17019 68828.30121 104760.008 plasmenyl-PE 36:2; [M+H]+@7.34 51679.90661 51072.41306 48821.01332 58760.23064 44056.50634 35356.95723 42878.39384 40836.42261 62432.77418 42297.52698 66630.82076 44827.38448 74081.47712 67826.73307 46922.42352 49955.31819 plasmenyl-PE 36:4; [M+H]+@6.69 575283.6063 544989.5716 561650.2839 596429.6503 478373.8796 534670.4021 535597.9295 554881.4845 623144.5457 420769.1346 796783.9585 559259.6083 618277.2709 566137.6571 591061.3636 690712.773 plasmenyl-PE 36:5; [M+H]+@6.34 405328.1329 169969.3666 197410.6467 343000.322 265011.3232 176083.4037 319015.4662 297508.3797 343932.9073 303083.5508 298892.959 186304.734 266244.1247 223867.5542 188133.1507 229789.248 plasmenyl-PE 38:4; [M+H]+@7.27 1198654.2 1485365.176 1344806.945 1150656.131 1001537.209 1123766.25 1176584.266 1096956.968 1376273.493 928611.9657 1451683.156 1349922.546 1444865.078 1512301.677 1425266.549 1534395.83 plasmenyl-PE 38:5; [M+H]+@6.88 616379.193 537166.8244 550315.9274 619185.319 539440.2977 504048.6296 525925.7534 556061.3561 686753.7463 522262.4924 695359.082 576114.9895 656369.6134 561550.1586 529151.2533 698492.4234 plasmenyl-PE 38:6; [M+H]+@6.58 1405093.35 1247264.28 1160910.225 1282744.921 1163735.827 1172054.489 1117393.339 1268735.98 1427006.011 1052112.496 1443321.226 1235692.152 1389965.522 1288187.157 1232278.3 1532993.005 plasmenyl-PE 40:4; [M+H]+@7.68 384567.9109 431248.7224 397871.4006 375537.3599 358851.8693 624521.2003 422804.5292 495613.0611 518584.1033 281037.6537 503943.1785 419966.1165 666354.9114 613121.4619 487143.2369 637031.2276 plasmenyl-PE 40:5; [M+H]+@7.33 779639.8937 747163.3422 675308.2097 808588.6396 596981.3825 688296.6532 669946.7768 635502.1828 837397.1225 601960.6186 817554.1153 672360.0831 832955.8713 650791.3275 672604.0547 870415.7806 plasmenyl-PE 40:6; [M+H]+@7.21 2713982.806 2530372.412 2143810.803 2827700.647 2238775.419 2477485.711 2553730.956 2550092.805 2941531.886 2112562.842 2341222.061 2200599.737 2802002.779 2198882.534 2051390.29 2986135.286 plasmenyl-PE 42:4; [M+H]+@8.15 25114.72377 26645.62304 22518.45778 23812.79695 30968.02158 38840.91262 14836.44498 21331.59966 37330.35619 20188.05922 16633.23709 32322.96868 46952.71616 41083.74942 29442.18731 50454.01308 plasmenyl-PE 42:6; [M+H]+@7.78 111321.6974 93596.54486 62771.83601 110990.8881 105475.7145 95241.06012 93342.02947 77147.39885 102723.8203 88980.16792 87474.17912 69860.98469 111178.1491 91891.78235 74819.94551 94921.87882 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 DG 32:0; [M+NH4]+@7.88 7.88 DG(32:0) LipidMaps Bulk ID DG 34:0; [M+NH4]+@8.40 8.4 DG(34:0) LipidMaps Bulk ID DG 34:2; [M+NH4]+@7.61 7.61 DG(34:2) LipidMaps Bulk ID DG 35:1; [M+NH4]+@8.20 8.2 DG(35:1) LipidMaps Bulk ID DG 36:0; [M+NH4]+@8.88 8.88 DG(36:0) LipidMaps Bulk ID DG 36:1; [M+NH4]+@8.48 8.48 DG(36:1) LipidMaps Bulk ID DG 36:2; [M+NH4]+@8.10 8.1 DG(36:2) LipidMaps Bulk ID DG 36:3; [M+NH4]+@7.76 7.76 DG(36:3) LipidMaps Bulk ID DG 36:4; [M+NH4]+@7.53 7.53 DG(36:4) LipidMaps Bulk ID DG 38:3; [M+NH4]+@8.31 8.31 DG(38:3) LipidMaps Bulk ID DG 38:4; [M+NH4]+@8.05 8.05 DG(38:4) LipidMaps Bulk ID DG 38:5; [M+NH4]+@7.66 7.66 DG(38:5) LipidMaps Bulk ID DG 38:6; [M+NH4]+@7.44 7.44 DG(38:6) LipidMaps Bulk ID DG 40:4; [M+NH4]+@8.43 8.43 DG(40:4) LipidMaps Bulk ID DG 40:6; [M+NH4]+@7.97 7.97 DG(40:6) LipidMaps Bulk ID DG 42:10; [M+NH4]+@7.06 7.06 DG(42:10) LipidMaps Bulk ID DG 44:12; [M+NH4]+@6.99 6.99 9543971 LMGL02010306 LipidMaps MG 17:0; [M+Li]+@3.15 3.15 107036 LMGL01010002 LipidMaps PC 30:1; [M+Na]+@5.49 5.49 PC(30:1) LipidMaps Bulk ID PC 32:0; [M+H]+@6.59 6.59 PC(32:0) LipidMaps Bulk ID PC 32:3; [M+H]+@6.05 6.05 PC(32:3) LipidMaps Bulk ID PC 34:4; [M+Na]+@5.63 5.63 PC(34:4) LipidMaps Bulk ID PC 35:2; [M+Na]+@6.64 6.64 PC(35:2) LipidMaps Bulk ID PC 35:4; [M+Na]+@5.99 5.99 PC(35:4) LipidMaps Bulk ID PC 38:4; [M+H]+@8.85 8.85 PC(38:4) LipidMaps Bulk ID PC 38:7; [M+Na]+@5.66 5.66 PC(38:7) LipidMaps Bulk ID PC 40:5; [M+H]+@7.60 7.6 PC(40:5) LipidMaps Bulk ID PC 40:8; [M+H]+@6.45 6.45 PC(40:8) LipidMaps Bulk ID PC 40:9; [M+Na]+@5.49 5.49 PC(40:9) LipidMaps Bulk ID PC 42:10; [M+Na]+@5.78 5.78 PC(42:10) LipidMaps Bulk ID PC 42:11; [M+Na]+@5.36 5.36 PC(42:11) LipidMaps Bulk ID PC 42:4; [M+Na]+@7.85 7.85 PC(42:4) LipidMaps Bulk ID PC 42:9; [M+H]+@6.86 6.86 PC(42:9) LipidMaps Bulk ID PC 48:6; [M+Na]+@8.48 8.48 PC 48:6 LipidBLAST PC 50:6; [M+Na]+@8.95 8.95 PC 50:6 LipidBLAST PE 21:4; [M+H]+@1.42 1.42 PE 21:4 LipidBLAST PE 32:1; [M+H]+@6.26 6.26 PE(32:1) LipidMaps Bulk ID PE 34:1; [M+H]+@6.86 6.86 PE(34:1) LipidMaps Bulk ID PE 34:2; [M+H]+@6.43 6.43 PE(34:2) LipidMaps Bulk ID PE 34:3; [M+H]+@5.91 5.91 PE(34:3) LipidMaps Bulk ID PE 36:2; [M+H]+@7.00 7 PE(36:2) LipidMaps Bulk ID PE 36:4; [M+H]+@6.34 6.34 PE(36:4) LipidMaps Bulk ID PE 36:5; [M+H]+@5.92 5.92 PE(36:5) LipidMaps Bulk ID PE 36:6; [M+H]+@5.62 5.62 PE(36:6) LipidMaps Bulk ID PE 37:6; [M+H]+@5.99 5.99 PE(37:6) LipidMaps Bulk ID PE 38:2; [M+H]+@7.58 7.58 PE(38:2) LipidMaps Bulk ID PE 38:4; [M+H]+@7.01 7.01 PE(38:4) LipidMaps Bulk ID PE 38:5; [M+H]+@6.54 6.54 PE(38:5) LipidMaps Bulk ID PE 38:6; [M+H]+@6.17 6.17 PE(38:6) LipidMaps Bulk ID PE 38:7; [M+H]+@5.98 5.98 PE(38:7) LipidMaps Bulk ID PE 39:6; [M+H]+@6.61 6.61 PE(39:6) LipidMaps Bulk ID PE 40:4; [M+H]+@7.42 7.42 PE(40:4) LipidMaps Bulk ID PE 40:5; [M+H]+@7.11 7.11 PE(40:5) LipidMaps Bulk ID PE 40:6; [M+H]+@6.88 6.88 PE(40:6) LipidMaps Bulk ID PE 40:7; [M+H]+@6.37 6.37 PE(40:7) LipidMaps Bulk ID PE 40:8; [M+H]+@5.97 5.97 PE(40:8) LipidMaps Bulk ID PE 42:11; [M+Na]+@5.44 5.44 PE(42:11) LipidMaps Bulk ID PE 42:5; [M+H]+@7.65 7.65 PE(42:5) LipidMaps Bulk ID PE 42:7; [M+H]+@7.01 7.01 PE(42:7) LipidMaps Bulk ID PE 42:8; [M+H]+@6.52 6.52 PE(42:8) LipidMaps Bulk ID PE 46:10; [M+H]+@6.88 6.88 PE 46:10 LipidBLAST SM 30:1; [M]+@4.41 4.41 SM 30:1 LipidBLAST SM 32:2; [M+Na]+@4.55 4.55 SM 32:2 LipidBLAST SM 33:1; [M+Na]+@5.55 5.55 52931139 SM 34:0; [M+Na]+@6.16 6.16 9939965 SM 34:1; [M]+@5.83 5.83 SM 34:1 LipidBLAST SM 34:2; [M+Na]+@5.33 5.33 SM 34:2 LipidBLAST SM 35:1; [M]+@6.22 6.22 SM 35:1 LipidBLAST SM 36:1; [M]+@6.71 6.71 44260139 SM 36:2; [M]+@6.01 6.01 SM 36:2 LipidBLAST SM 37:1; [M]+@6.90 6.9 SM 37:1 LipidBLAST SM 37:2; [M]+@6.45 6.45 SM 37:2 LipidBLAST SM 39:1; [M]+@7.54 7.54 SM 39:1 LipidBLAST SM 40:1; [M+Na]+@7.78 7.78 SM 40:1 LipidBLAST SM 41:1; [M]+@8.11 8.11 SM 41:1 LipidBLAST SM 41:2; [M]+@7.71 7.71 SM 41:2 LipidBLAST SM 42:1; [M+Na]+@8.32 8.32 44260133 SM 42:2; [M+Na]+@7.82 7.82 SM 42:2 LipidBLAST SM 44:2; [M]+@8.36 8.36 SM 44:2 LipidBLAST TG 42:0; [M+NH4]+@9.78 9.78 TG(42:0) LipidMaps Bulk ID TG 44:1; [M+NH4]+@9.80 9.8 TG(44:1) LipidMaps Bulk ID TG 44:2; [M+NH4]+@9.55 9.55 TG(44:2) LipidMaps Bulk ID TG 46:0; [M+NH4]+@10.34 10.34 TG(46:0) LipidMaps Bulk ID TG 46:1; [M+NH4]+@10.09 10.09 TG(46:1) LipidMaps Bulk ID TG 46:2; [M+NH4]+@9.81 9.81 TG(46:2) LipidMaps Bulk ID TG 48:1; [M+NH4]+@10.35 10.35 TG(48:1) LipidMaps Bulk ID TG 48:2; [M+NH4]+@10.16 10.16 TG(48:2) LipidMaps Bulk ID TG 48:3; [M+NH4]+@9.89 9.89 TG(48:3) LipidMaps Bulk ID TG 49:1; [M+NH4]+@10.49 10.49 TG(49:1) LipidMaps Bulk ID TG 49:2; [M+NH4]+@10.28 10.28 TG(49:2) LipidMaps Bulk ID TG 50:0; [M+NH4]+@10.79 10.79 TG(50:0) LipidMaps Bulk ID TG 50:1; [M+NH4]+@10.58 10.58 TG(50:1) LipidMaps Bulk ID TG 50:2; [M+NH4]+@10.39 10.39 TG(50:2) LipidMaps Bulk ID TG 50:3; [M+NH4]+@10.20 10.2 TG(50:3) LipidMaps Bulk ID TG 50:4; [M+NH4]+@9.96 9.96 TG(50:4) LipidMaps Bulk ID TG 50:5; [M+NH4]+@9.76 9.76 TG(50:5) LipidMaps Bulk ID TG 51:1; [M+NH4]+@10.71 10.71 TG(51:1) LipidMaps Bulk ID TG 52:0; [M+NH4]+@11.02 11.02 TG(52:0) LipidMaps Bulk ID TG 52:1; [M+NH4]+@10.80 10.8 TG(52:1) LipidMaps Bulk ID TG 52:2; [M+NH4]+@10.61 10.61 TG(52:2) LipidMaps Bulk ID TG 52:3; [M+NH4]+@10.45 10.45 TG(52:3) LipidMaps Bulk ID TG 52:4; [M+NH4]+@10.23 10.23 TG(52:4) LipidMaps Bulk ID TG 52:5; [M+NH4]+@10.06 10.06 TG(52:5) LipidMaps Bulk ID TG 52:6; [M+NH4]+@9.81 9.81 TG(52:6) LipidMaps Bulk ID TG 53:0; [M+NH4]+@11.16 11.16 TG(53:0) LipidMaps Bulk ID TG 53:1; [M+NH4]+@10.94 10.94 TG(53:1) LipidMaps Bulk ID TG 54:1; [M+NH4]+@11.06 11.06 TG(54:1) LipidMaps Bulk ID TG 54:2; [M+NH4]+@10.87 10.87 TG(54:2) LipidMaps Bulk ID TG 54:3; [M+NH4]+@10.67 10.67 TG(54:3) LipidMaps Bulk ID TG 54:4; [M+NH4]+@10.48 10.48 TG(54:4) LipidMaps Bulk ID TG 54:5; [M+NH4]+@10.32 10.32 TG(54:5) LipidMaps Bulk ID TG 54:6; [M+NH4]+@10.15 10.15 TG(54:6) LipidMaps Bulk ID TG 54:7; [M+NH4]+@10.03 10.03 TG(54:7) LipidMaps Bulk ID TG 54:8; [M+NH4]+@9.71 9.71 TG(54:8) LipidMaps Bulk ID TG 56:0; [M+NH4]+@11.50 11.5 TG(56:0) LipidMaps Bulk ID TG 56:4; [M+NH4]+@10.77 10.77 TG(56:4) LipidMaps Bulk ID TG 56:5; [M+NH4]+@10.61 10.61 TG(56:5) LipidMaps Bulk ID TG 56:6; [M+NH4]+@10.48 10.48 TG(56:6) LipidMaps Bulk ID TG 56:7; [M+NH4]+@10.27 10.27 TG(56:7) LipidMaps Bulk ID TG 56:8; [M+NH4]+@10.10 10.1 TG(56:8) LipidMaps Bulk ID TG 56:9; [M+NH4]+@9.87 9.87 TG(56:9) LipidMaps Bulk ID TG 58:1; [M+NH4]+@11.55 11.55 TG(58:1) LipidMaps Bulk ID TG 58:10; [M+NH4]+@10.05 10.05 TG(58:10) LipidMaps Bulk ID TG 58:11; [M+NH4]+@9.81 9.81 TG(58:11) LipidMaps Bulk ID TG 58:5; [M+NH4]+@10.80 10.8 TG(58:5) LipidMaps Bulk ID TG 58:6; [M+NH4]+@10.72 10.72 TG(58:6) LipidMaps Bulk ID TG 58:7; [M+NH4]+@10.53 10.53 TG(58:7) LipidMaps Bulk ID TG 58:8; [M+NH4]+@10.37 10.37 TG(58:8) LipidMaps Bulk ID TG 58:9; [M+NH4]+@10.17 10.17 TG(58:9) LipidMaps Bulk ID TG 60:10; [M+NH4]+@10.33 10.33 TG(60:10) LipidMaps Bulk ID TG 60:12; [M+NH4]+@9.97 9.97 TG(60:12) LipidMaps Bulk ID TG 60:13; [M+NH4]+@9.76 9.76 TG(60:13) LipidMaps Bulk ID TG 62:11; [M+NH4]+@10.32 10.32 TG(62:11) LipidMaps Bulk ID TG 62:12; [M+NH4]+@10.24 10.24 TG(62:12) LipidMaps Bulk ID TG 62:14; [M+NH4]+@9.82 9.82 TG(62:14) LipidMaps Bulk ID TG 64:15; [M+NH4]+@9.86 9.86 TG(64:15) LipidMaps Bulk ID TG 64:16; [M+NH4]+@9.76 9.76 TG(64:16) LipidMaps Bulk ID TG 66:18; [M+NH4]+@9.68 9.68 9546569 LMGL03012611 LipidMaps lysoPC 14:0; [M+H]+@1.14 1.14 LPC(14:0) LipidMaps Bulk ID lysoPC 15:0; [M+H]+@1.40 1.4 24779458 LMGP01050016 LipidMaps lysoPC 16:0; [M+H]+@1.59 1.59 LPC(16:0) LipidMaps Bulk ID lysoPC 16:1; [M+H]+@1.39 1.39 LPC(16:1) LipidMaps Bulk ID lysoPC 18:0; [M+Na]+@2.27 2.27 LPC(18:0) LipidMaps Bulk ID lysoPC 19:0; [M+H]+@2.94 2.94 24779472 LMGP01050041 LipidMaps lysoPC 19:0; [M+Na]+@2.92 2.92 24779472 LMGP01050041 LipidMaps lysoPC 20:1; [M+H]+@2.56 2.56 LPC(20:1) LipidMaps Bulk ID lysoPC 22:4; [M+H]+@1.91 1.91 52924039 LMGP01050124 LipidMaps lysoPC 22:5; [M+Na]+@1.57 1.57 LPC(22:5) LipidMaps Bulk ID lysoPE 16:0; [M+H]+@1.66 1.66 LPE(16:0) LipidMaps Bulk ID lysoPE 18:0; [M+H]+@2.50 2.5 LPE(18:0) LipidMaps Bulk ID lysoPE 18:1; [M+H]+@1.85 1.85 LPE(18:1) LipidMaps Bulk ID lysoPE 18:2; [M+H]+@1.37 1.37 LPE(18:2) LipidMaps Bulk ID lysoPE 20:4; [M+H]+@1.38 1.38 LPE(20:4) LipidMaps Bulk ID lysoPE 22:6; [M+H]+@1.32 1.32 LPE(22:6) LipidMaps Bulk ID plasmenyl-PC 18:0; [M+Na]+@1.68 1.68 PC(P-18:0) LipidMaps Bulk ID plasmenyl-PC 20:0; [M+Na]+@2.59 2.59 PC(P-20:0) LipidMaps Bulk ID plasmenyl-PC 32:0; [M+Na]+@7.04 7.04 PC(P-32:0) LipidMaps Bulk ID plasmenyl-PC 34:1; [M+Na]+@7.14 7.14 PC(P-34:1) LipidMaps Bulk ID plasmenyl-PC 34:2; [M+Na]+@6.72 6.72 PC(P-34:2) LipidMaps Bulk ID plasmenyl-PC 36:3; [M+Na]+@6.77 6.77 PC(P-36:3) LipidMaps Bulk ID plasmenyl-PE 34:0; [M+H]+@7.66 7.66 PE(P-34:0) LipidMaps Bulk ID plasmenyl-PE 36:0; [M+H]+@8.22 8.22 PE(P-36:0) LipidMaps Bulk ID plasmenyl-PE 36:1; [M+H]+@7.75 7.75 PE(P-36:1) LipidMaps Bulk ID plasmenyl-PE 36:2; [M+H]+@7.34 7.34 PE(P-36:2) LipidMaps Bulk ID plasmenyl-PE 36:4; [M+H]+@6.69 6.69 PE(P-36:4) LipidMaps Bulk ID plasmenyl-PE 36:5; [M+H]+@6.34 6.34 PE(P-36:5) LipidMaps Bulk ID plasmenyl-PE 38:4; [M+H]+@7.27 7.27 PE(P-38:4) LipidMaps Bulk ID plasmenyl-PE 38:5; [M+H]+@6.88 6.88 PE(P-38:5) LipidMaps Bulk ID plasmenyl-PE 38:6; [M+H]+@6.58 6.58 PE(P-38:6) LipidMaps Bulk ID plasmenyl-PE 40:4; [M+H]+@7.68 7.68 PE(P-40:4) LipidMaps Bulk ID plasmenyl-PE 40:5; [M+H]+@7.33 7.33 PE(P-40:5) LipidMaps Bulk ID plasmenyl-PE 40:6; [M+H]+@7.21 7.21 PE(P-40:6) LipidMaps Bulk ID plasmenyl-PE 42:4; [M+H]+@8.15 8.15 PE(P-42:4) LipidMaps Bulk ID plasmenyl-PE 42:6; [M+H]+@7.78 7.78 PE(P-42:6) LipidMaps Bulk ID METABOLITES_END #END