#METABOLOMICS WORKBENCH araskind_20170605_140115 DATATRACK_ID:966 STUDY_ID:ST000682 ANALYSIS_ID:AN001050 PROJECT_ID:PR000481 VERSION 1 CREATED_ON June 30, 2017, 11:41 am #PROJECT PR:PROJECT_TITLE Retinal tissue knockout to study efflux of cholesterol (AGCA1/G1 double KO - TY PR:PROJECT_TITLE and LysM cre) PR:PROJECT_TYPE MS analysis PR:PROJECT_SUMMARY ABCA1 and AGCG1, which is important gene to efllux 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 Retinal tissue knockout to study efflux of cholesterol (AGCA1/G1 double KO - TY ST:STUDY_TITLE and LysM cre) - part II 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. R:Rod specific, C:Cone ST:STUDY_SUMMARY 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 12 #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 SU0019520 S00027119 CRE:negative | SEX:m SUBJECT_SAMPLE_FACTORS SU0019521 S00027120 CRE:negative | SEX:m SUBJECT_SAMPLE_FACTORS SU0019522 S00027121 CRE:negative | SEX:f SUBJECT_SAMPLE_FACTORS SU0019523 S00027122 CRE:negative | SEX:m SUBJECT_SAMPLE_FACTORS SU0019524 S00027123 CRE:Rod Cre | SEX:f SUBJECT_SAMPLE_FACTORS SU0019525 S00027124 CRE:Rod Cre | SEX:f SUBJECT_SAMPLE_FACTORS SU0019526 S00027125 CRE:Rod Cre | SEX:f SUBJECT_SAMPLE_FACTORS SU0019527 S00027126 CRE:Rod Cre | SEX:f SUBJECT_SAMPLE_FACTORS SU0019528 S00027127 CRE:Cone Cre | SEX:m SUBJECT_SAMPLE_FACTORS SU0019529 S00027128 CRE:Cone Cre | SEX:m SUBJECT_SAMPLE_FACTORS SU0019530 S00027129 CRE:Cone Cre | SEX:f SUBJECT_SAMPLE_FACTORS SU0019531 S00027130 CRE:Cone 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 NEGATIVE #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS peak area normalized MS_METABOLITE_DATA_START Samples S00027119 S00027120 S00027121 S00027122 S00027123 S00027124 S00027125 S00027126 S00027127 S00027128 S00027129 S00027130 Factors CRE:negative | SEX:m CRE:negative | SEX:m CRE:negative | SEX:f CRE:negative | SEX:m CRE:Rod Cre | SEX:f CRE:Rod Cre | SEX:f CRE:Rod Cre | SEX:f CRE:Rod Cre | SEX:f CRE:Cone Cre | SEX:m CRE:Cone Cre | SEX:m CRE:Cone Cre | SEX:f CRE:Cone Cre | SEX:f CL 72:4; [M-2H](2-)@9.62 10285.53924 10580.33579 13454.46186 11671.5896 7871.1726 10093.98111 19494.42623 25038.93793 14943.40202 13631.93366 15675.92762 20199.09538 CL 72:5; [M-2H](2-)@9.47 15034.1055 5825.067411 11724.58612 8671.691652 7342.069417 6196.030863 12857.00356 20725.6837 7631.302332 11029.93824 9917.127381 15377.37119 CL 74:7; [M-2H](2-)@6.02 324898.3735 320984.1548 306161.4195 276877.8821 292712.5327 366548.7954 210946.6018 184036.6159 319866.4126 344297.4992 177568.1255 204036.1062 FFA(16:0) 43678158.07 38359110.5 38393599.61 28089042.76 41236919.34 47408610.37 57819138.31 86809845.26 30011161.47 41886216.83 68725105.47 74525962.44 FFA(18:0) 44614526.15 40045804.36 40120121.4 30852339.59 44960849.83 50705993.14 61929749.65 91903728.97 32843316.01 45758528.31 73846143.34 76176038.56 FFA(18:1) 3016606.529 3737926.038 3903412.15 3309003.581 4054799.207 5563070.92 6747111.087 11138222.64 4744837.099 6323621.912 9146002.867 12178016.82 FFA(18:2) 460174.7679 655152.9623 704935.8165 610286.6267 602811.8804 1038763.214 1136107.335 2007723.943 736208.6347 996388.4613 1951893.822 2958523.035 FFA(20:0) 3165826.088 3034150.209 2877949.973 2066535.666 3081396.511 3315716.076 4165564.971 4974850.518 2084101.369 3213387.789 4885987.925 5692512.289 FFA(20:1) 263636.0386 193202.6639 296268.2226 234588.541 315063.2186 388482.8311 485284.0753 706125.4065 297209.3534 422832.5296 640377.373 752104.894 FFA(20:2) 125956.8896 184093.6582 152069.0606 151878.5682 201958.8859 222054.9333 280095.5363 481388.2263 229154.4251 295785.9301 542883.8418 749353.6364 FFA(20:4) Arachidonic acid 5588742.267 7796016.707 6481975.432 5848484.344 8240486.839 10491571.39 13363856.23 19610718.58 6929146.062 9557576.873 16002581.82 15632714.33 FFA(22:0) 720444.1192 721238.8518 705562.2806 560288.8036 698378.0161 806176.8904 928970.5721 1103471.412 453191.984 771900.3278 1239642.951 1283028.037 FFA(22:1) 169212.1267 157927.3574 82003.75088 61065.26569 137337.1308 107079.2728 281204.1312 369457.2645 131345.1205 156350.676 296461.3475 322636.5851 FFA(22:2) 23398.72873 15813.74282 21475.07961 21820.86936 20392.93792 28257.53072 29049.48124 22886.2602 24371.65592 22803.22782 31025.36397 40221.31854 FFA(22:3) 24528.02326 22679.81738 19642.79216 26330.62707 20116.05465 49067.03689 40798.16651 84563.00654 25789.79208 45434.33011 78850.79872 89641.92732 FFA(24:0) 309112.5611 307113.6915 109997.8721 85632.39489 98811.59314 144084.924 147226.9337 458794.1903 73256.61175 124778.1921 436333.4756 191074.7304 FFA(24:2) 4971.68794 6820.381387 4898.385169 5745.160623 4292.082329 5765.207466 6433.671936 6208.929766 3161.830595 9133.321352 11547.61831 5885.752904 N-(hexadecanoyl)-sphing-4-enine; [M-H]-@6.80 42664.56867 45131.86099 48299.27296 56563.75428 48198.25443 63067.77321 96582.91738 172391.9768 90978.03045 103707.3473 228469.3773 216308.9696 N-(octadecanoyl)-sphing-4-enine; [M-H]-@7.37 60060.96079 98366.35007 76051.88513 84109.47742 104179.9821 129303.199 152934.25 232045.8332 111554.6599 143439.2241 261091.8904 271672.4733 PC 28:0; [M-Ac-H]-@5.19 7119.810354 7225.404977 6486.888482 5086.005006 9474.499954 9358.616542 11909.31048 12223.23177 7969.166491 8348.607524 9610.295219 11919.34346 PC 30:0; [M-Ac-H]-@5.85 123305.2952 291014.7976 118694.9968 180801.7845 183448.3267 323135.2773 244569.9472 194294.7097 240156.1308 174506.3414 140658.8576 279176.582 PC 30:1; [M-Ac-H]-@5.41 15792.4739 12716.8218 13027.09968 10748.51854 20485.45657 17623.2903 29254.29408 15767.87624 12696.8487 23027.77448 18657.8686 18643.22211 PC 31:0; [M-Ac-H]-@6.20 115488.9055 108319.8661 90463.78956 71809.36379 118982.0749 146203.9111 177224.0794 239650.3719 88058.61305 110261.1567 160226.67 205333.952 PC 32:1; [M-Ac-H]-@6.00 382227.214 538075.0087 385600.3219 312685.9298 477565.58 549931.676 591681.9299 776378.6057 393835.3624 606303.9275 575127.9031 795613.823 PC 33:0; [M-Ac-H]-@6.80 100801.955 66047.13182 73496.94791 77055.2457 91012.67847 89640.27296 67915.37361 99842.43834 80974.38072 127353.6603 85838.32975 77599.17112 PC 33:1; [M-Ac-H]-@6.36 71041.26663 67383.23979 83251.40602 74216.12251 72636.14299 121165.374 107020.7337 175351.6573 65380.93664 81155.86796 139659.6431 80205.67673 PC 34:1; [M-Ac-H]-@6.56 3501664.209 2841750.953 3178113.842 3012976.813 3058793.128 3959467.888 3213486.115 2761785.898 3471575.139 3110692.085 2718218.409 2720870.558 PC 34:2; [M-Ac-H]-@6.17 337920.8374 289751.6809 380290.441 359949.2629 293115.231 365692.0022 414832.6894 445425.0254 326481.6616 316557.6311 348913.1903 423913.062 PC 35:1; [M-Ac-H]-@6.95 139892.1255 92922.70845 105706.7373 104146.8615 91867.9386 114723.7053 122859.6334 112506.9886 78516.89025 116380.1394 100123.4833 113051.7917 PC 36:0; [M-Ac-H]-@7.66 156005.2148 110720.3207 117483.1074 131287.3509 115589.0141 146351.842 141030.9153 144699.9241 128718.6667 141042.5216 114402.869 123118.4681 PC 36:1; [M-Ac-H]-@7.15 3165300.874 2391158.244 2607034.207 2529981.762 2466641.898 2793481.609 2599770.307 2401402.827 2435321.537 2585380.205 2232728.522 2230213.203 PC 36:2; [M-Ac-H]-@6.72 428613.1979 333601.1256 394848.3936 370870.5283 344527.4505 439463.0173 416534.4175 411301.0585 411979.0204 395760.1349 348292.107 382253.1434 PC 36:3; [M-Ac-H]-@6.39 142445.3294 329730.8228 161363.9372 191202.1934 231603.4888 474142.2139 335358.7064 247320.3824 331519.2517 235974.4753 253635.3664 195274.7856 PC 36:4; [M-Ac-H]-@6.15 319670.4049 440902.2908 363963.4197 479961.2048 456100.6847 554085.6402 607579.0838 401448.5269 435521.0672 494511.2398 330372.5431 605263.1756 PC 36:6; [M-Ac-H]-@5.40 35365.1671 27422.16318 52715.52308 32978.92128 27137.12314 31134.64638 29984.57663 35085.46398 19192.53655 18854.05444 20310.15507 28804.44211 PC 38:1; [M-Ac-H]-@7.74 123326.7502 91398.73165 101287.6921 104536.8397 103761.2363 116043.6199 118350.8579 128142.7596 117219.758 106280.1018 84259.07871 107332.1799 PC 38:2; [M-Ac-H]-@7.30 165208.8206 110590.6887 107881.9948 129925.3512 124577.2212 130350.2537 111846.5006 131225.5142 107297.0526 83080.70767 136425.6332 160409.3424 PC 38:3; [M-Ac-H]-@7.04 100936.9376 231520.6207 187077.9921 150909.414 239166.138 178222.9651 148393.8901 291706.5613 88840.54376 194498.5556 287887.1032 382698.0445 PC 38:6; [M-Ac-H]-@5.98 2592151.934 2041384.319 1348282.664 1798203.693 1755692.233 1963353.001 1659025.844 1446744.741 1415725.988 1378906.079 1105597.664 1853021.795 PC 38:7; [M-Ac-H]-@5.59 56458.0941 53278.65845 44026.65778 64746.36693 47631.42261 65869.27337 74568.27299 69048.85862 55047.797 60503.70293 55891.08131 95507.61411 PC 39:6; [M-Ac-H]-@6.40 73025.57542 50354.35741 47624.03737 53372.67285 57305.17543 69788.5411 48899.06241 41904.97021 59268.04322 52274.15205 50183.15542 35556.40209 PC 40:4; [M-Ac-H]-@7.23 34472.82567 102994.7331 47496.69037 45751.36336 88204.00524 82470.08497 55527.93696 80896.55548 68690.04887 61751.7752 48801.88864 38456.45897 PC 40:5; [M-Ac-H]-@6.91 291529.859 327770.3196 210234.07 228293.7918 476048.9969 389415.1577 643924.6637 760496.545 229562.8479 324324.1109 636811.7394 852223.0969 PC 40:6; [M-Ac-H]-@6.65 2996064.446 2222288.603 1508273.305 1944587.34 2166885.964 2361644.946 1615291.56 1592799.928 1649274.09 1775726.723 1333598.146 1675370.654 PC 42:10; [M-Ac-H]-@5.66 76128.48253 94392.16302 73752.13158 89893.99885 122525.0682 108106.1606 133543.7539 93704.89181 71875.43874 78495.33006 121027.0995 152148.5089 PC 42:6; [M-Ac-H]-@7.31 38504.51688 34635.7836 31077.18992 27133.59849 46447.94795 25560.66315 12999.88581 33446.34777 31570.43728 16935.12025 17948.70319 23065.05833 PC 42:8; [M-Ac-H]-@6.34 15225.0666 38014.76419 18661.13151 22222.93805 34858.98095 34814.73353 30626.81259 8141.388196 15002.08368 18273.98646 20704.84406 30236.41277 PC 44:12; [M-Ac-H]-@5.51 1242866.68 925229.7272 486302.2987 807745.8842 739909.5385 800135.0411 575649.8834 639098.6732 595264.4907 593860.238 538318.1059 774554.7829 PE 32:0; [M-H]-@6.67 93506.06621 76541.81 53022.59586 62089.01527 71149.91553 76927.87224 70555.12956 92961.4581 90568.38022 81330.67577 73683.1338 87959.21246 PE 34:3; [M-H]-@5.99 10941.44409 24942.47022 11903.25885 14156.01935 16514.91457 31128.55472 14200.53382 10731.8202 35959.765 13573.90641 21192.97205 14249.00972 PE 35:0; [M-H]-@7.49 11814.46342 11693.06305 8426.477097 6775.928366 11231.86769 12545.40346 20251.99082 7284.886873 10706.86582 10270.82242 13081.25661 12861.09213 PE 36:3; [M-H]-@6.46 168455.3244 214735.9395 211123.8446 185985.3347 206312.082 212494.8594 280635.0785 380435.6711 157078.8475 247216.7558 327587.1531 356168.3432 PE 36:5; [M-H]-@5.88 211692.9245 149380.8891 93544.51943 165002.2262 116853.1743 121806.5608 152577.765 139581.5333 103246.3585 132001.6703 115067.0148 158322.385 PE 36:6; [M-H]-@5.37 54982.64455 58201.32526 30626.57961 39461.91104 42416.41773 42501.27952 33691.18824 28587.55554 37813.62284 38288.64932 39705.0641 39161.6917 PE 37:4; [M-H]-@6.63 16832.93698 26253.46585 21012.29774 30706.4196 25871.22093 19656.68019 16137.49823 20077.90042 36752.19242 31286.84129 23869.75837 32658.90638 PE 38:1; [M-H]-@7.83 68060.24659 63558.09389 67795.28154 66265.90374 68790.30484 81950.58071 113300.2393 76005.77332 72979.71369 72964.2838 68074.90247 78225.01199 PE 38:2; [M-H]-@7.46 97980.29853 131596.508 97817.77501 57067.60107 129804.9595 95092.82289 144253.9837 190866.326 46275.10335 130900.5546 88903.19438 173381.7794 PE 38:3; [M-H]-@7.19 453077.2779 545268.4807 447518.4293 395299.8613 564698.9426 582929.7807 956535.975 1282445.635 417691.0604 572542.2766 1013525.646 1154647.356 PE 40:4; [M-H]-@7.33 796548.2492 845836.8507 838723.2599 812339.5019 867814.1567 1112007.474 1076935.255 851060.1952 943098.3014 898050.9753 893863.4308 877281.8207 PE 40:5; [M-H]-@7.04 1400155.57 1564213.31 1085818.722 979498.0227 1665580.975 1411865.573 2443981.598 3445788.791 925734.1189 1224497.105 2376633.913 3748191.509 PE 40:9; [M-H]-@5.49 85007.17164 187208.0334 46123.36155 96997.75032 120958.2378 172750.8536 93764.99542 77160.99743 78185.00529 68112.04651 94360.79595 105055.5033 PE 41:6; [M-H]-@7.15 70417.59792 69790.7186 28912.37231 61750.20745 64818.59907 72323.38922 30380.80417 38579.08868 55320.54849 42664.98488 33909.06679 49804.90466 PE 42:7; [M-H]-@6.92 119320.0771 81800.3185 81964.53319 68689.36825 60569.13717 121761.8206 36497.97896 47604.58999 54354.74231 46715.57465 52220.08464 85039.43223 PE 42:9; [M-H]-@6.06 1315623.275 867320.2028 639154.8292 690541.8713 791399.8332 982302.4182 479353.0749 443510.0964 659638.5916 578525.4467 327750.4472 712722.8373 PE 44:10; [M-H]-@6.30 213693.5246 301378.0017 180306.9245 149180.7545 184353.4356 221224.1904 175755.6713 143258.4383 170723.0359 299969.3131 162495.4802 193708.7873 PE 44:12; [M-H]-@5.63 10135647.56 6126389.759 3203759.522 5430672.126 5945661.828 5940230.115 3198000.397 3918259.163 3535697.844 4514113.958 2955044.304 5121868.736 PG 32:0; [M-H]-@5.77 40886.88901 86001.23526 47219.40981 54417.60658 68459.52489 114408.3652 78833.89682 82204.121 78739.53222 61456.83873 54263.01755 78789.51441 PG 34:1; [M-H]-@5.82 1150183.544 745536.5557 838787.488 824832.3168 764838.052 973065.3718 1075896.424 876962.5287 805357.2504 788914.9792 805448.2586 1027241.185 PG 34:2; [M-H]-@5.42 16116.49034 44523.69963 20032.77064 23218.53383 22080.78497 38806.42939 27800.18446 16090.89416 39315.04813 35135.03925 27869.40753 24683.46284 PG 36:0; [M-H]-@6.89 724961.6795 1288738.258 603426.6153 709969.1132 1092336.027 1445985.158 1440391.182 1150119.53 1215646.675 911476.7616 1059997.416 1217584.003 PG 36:2; [M-H]-@5.94 1367819.586 899747.5091 991765.371 986641.2469 855311.6977 973566.6874 1121453.339 846003.2207 744330.712 859567.7631 726849.3122 1207548.673 PG 36:3; [M-H]-@5.62 77249.47193 61354.93583 64657.58763 60051.47307 52680.17933 64868.50218 74065.44648 81689.53469 37873.75538 76798.2044 130786.2856 120680.8755 PG 36:4; [M-H]-@5.41 182168.6395 234454.8279 169012.3804 229698.6178 186605.9856 223491.8788 203524.3806 121939.3571 194726.2238 187630.9402 144786.5391 251618.7008 PG 36:5; [M-H]-@5.03 13699.62174 15081.49768 9436.186491 11619.32291 10336.99491 12989.4716 10935.23187 16936.92959 6027.970914 12465.71895 18587.87973 13582.00597 PG 38:4; [M-H]-@6.01 406837.1086 193488.802 302829.4337 307104.5208 274032.5778 398264.5452 425965.6853 340688.4755 316770.6059 335954.5577 269500.51 363050.6818 PG 38:5; [M-H]-@5.54 41442.7444 68505.08849 49801.66483 43994.2962 66027.74281 75729.44247 77064.18742 76137.09109 27696.00198 67004.73905 103349.9979 72902.50174 PG 38:6; [M-H]-@5.34 129347.5735 133152.1746 91549.69555 118227.2383 84318.69143 113333.7415 120161.5059 97240.73865 79967.56141 99369.98349 99179.84609 141913.9145 PG 40:6; [M-H]-@5.95 267458.8947 212701.219 186716.4758 205888.5051 176301.0005 231676.4794 273207.1631 156481.091 152443.0317 150632.6755 127859.4797 355396.2724 PG 40:7; [M-H]-@5.16 25318.74366 33061.88945 20816.21057 25413.60448 28874.26235 38298.21474 28363.0643 15022.07309 23315.16142 35956.54217 37786.59234 44063.67603 PG 40:8; [M-H]-@4.64 15989.83919 18217.24255 23312.04695 18933.16161 15261.84161 31575.87779 22600.54439 15896.314 12494.55407 12671.01189 5277.397552 24844.60553 PG 42:10; [M-H]-@4.64 28416.78965 16533.61265 19034.57288 13789.84215 18785.06753 25285.8772 27539.29413 13153.74176 22700.24583 12754.93976 15999.47504 29159.92097 PG 44:11; [M-H]-@4.73 26637.8412 42230.13125 47227.19729 40157.00429 49835.00445 31476.49796 73688.00448 98474.74814 28571.92414 46847.32542 74934.56219 99226.91608 PG 44:12; [M-H]-@4.49 158908.5264 194583.1062 157885.7913 185571.173 188312.086 247880.8874 269563.1771 261431.0368 162466.9187 196468.753 202998.3839 228407.9395 PI 36:4; [M-H]-@5.22 523270.9428 280716.225 312007.9177 344769.2389 285257.2453 256825.3279 284422.2139 300258.0774 212505.1638 258580.7992 267921.5868 481110.6811 PI 38:4; [M-H]-@5.85 1699469.647 1545727.255 1579733.641 2569233.837 1486276.67 1859383.505 2233721.33 1809685.579 2026305.486 1964397.093 1273722.078 2146862.437 PS 34:1; [M-H]-@5.99 71250.12258 118350.1727 97706.40009 89503.6584 108210.9698 133605.6659 167696.2976 196918.3544 78589.31144 138881.8862 148119.8955 177618.569 PS 34:2; [M-H]-@5.30 21159.08587 15645.65224 14431.8444 20123.6023 6686.081685 22714.29685 22277.08215 10183.57554 21632.21549 10793.43122 18367.54486 26253.79773 PS 36:4; [M-H]-@5.31 17652.4582 49888.1477 34973.81042 37470.83162 42371.57319 63184.09492 47392.92446 40092.02264 59753.89071 44236.67901 33757.70268 35444.38551 PS 38:4; [M-H]-@5.93 5101076.582 5617350.349 4976970.591 6020540.419 4771828.73 6838080.109 6473345.861 4587100.456 5832319.538 6077638.814 3704350.643 5239936.021 PS 38:6; [M-H]-@5.21 25898.82578 49019.07638 27754.24196 46386.77316 41721.53067 48835.6937 40629.19922 31178.02876 41012.86101 50067.48582 39266.24668 35959.24072 PS 40:4; [M-H]-@6.42 185652.6767 397206.0548 340401.5001 239241.1375 368834.7679 505993.7305 586547.7708 619915.3842 270275.5837 377521.4775 553793.3617 637325.1603 PS 40:6; [M-H]-@5.88 7223604.809 9077300.621 6477255.243 9331069.561 8135392.616 11406757.14 11607727.94 8668027.401 9033583.606 8927526.939 6951358.773 10517269.34 PS 40:7; [M-H]-@5.32 55694.79058 86741.59699 51633.17899 54136.41888 94973.74756 81733.13541 106211.3207 136424.4656 61670.59581 69619.1895 94678.47354 101634.5277 PS 42:10; [M-H]-@4.78 36397.11722 40490.68521 37077.13186 27846.44392 41065.09698 48157.80983 37504.00043 61002.18051 26225.76439 29493.61977 39856.34034 44656.91995 PS 42:11; [M-H]-@4.37 26747.97136 26464.33316 18098.49342 28998.04956 19940.99822 19904.43195 27336.5064 22044.27992 21123.21386 21229.62171 18970.65189 35861.83852 PS 42:7; [M-H]-@5.97 66464.31921 73382.69791 57158.92196 59941.35452 81130.4753 67895.19422 48277.73336 85817.63721 44094.52501 54103.99147 75542.03002 78196.61738 PS 42:9; [M-H]-@5.05 25219.09648 47898.52807 13062.78803 27214.51789 43225.20276 33671.96192 30006.00181 28920.51454 34088.9043 32404.70069 38992.87556 128341.0038 PS 44:10; [M-H]-@5.32 196308.6242 468488.0148 238216.7995 240428.7027 414142.6013 622813.3134 360712.9516 252697.9344 395362.7241 282244.0377 187042.2935 548577.7597 PS 44:11; [M-H]-@4.88 1023831.975 1248200.088 536578.3179 725667.1257 1134131.967 1146687.1 1019804.924 1267558.525 449796.3993 681690.4944 1079991.679 1688098.606 PS 44:12; [M-H]-@4.67 4839439.442 3126510.213 1879295.522 2844018.065 3066414.827 3151108.548 2507129.815 1821792.304 1566787.897 1738475.888 1568984.96 2879596.553 lysoPE 18:0; [M-H]-@2.44 99962.29795 145764.0738 107111.8944 97392.92512 115106.1995 158495.5146 171515.2049 232392.5601 94954.7151 171713.3753 228255.4795 419550.2832 plasmenyl-PE 32:0; [M-H]-@7.02 106344.1415 221938.5 90703.95814 103712.7582 167174.9595 260237.4105 175981.3369 150491.5005 190332.8055 147191.5042 129183.5794 188304.8744 plasmenyl-PE 34:0; [M-H]-@7.40 430382.1637 705593.7631 451505.8037 362770.2801 626063.569 716889.0367 769570.2027 802749.3577 382657.1012 567966.2759 725187.0569 776112.642 plasmenyl-PE 34:1; [M-H]-@7.06 286586.4879 751382.8999 478096.1041 397263.804 845548.8695 781012.7243 546728.6469 469103.2474 616057.7752 533128.0097 437741.5193 521336.9967 plasmenyl-PE 34:2; [M-H]-@6.65 209491.1583 383360.4642 185134.6617 228514.8703 229791.345 278102.1607 251207.2318 192075.6646 335487.1776 279078.9819 228930.0657 280004.4368 plasmenyl-PE 36:2; [M-H]-@7.24 244561.3719 225522.6888 242321.7062 248932.0429 236767.9024 206093.2592 298842.9894 229017.3001 294236.5241 413009.3483 239155.9551 324237.3292 plasmenyl-PE 38:2; [M-H]-@7.75 70770.85576 74202.57035 26122.64628 83340.06356 52221.83714 137138.876 69788.63322 62460.74519 148446.9878 156725.4729 75754.13892 51027.09297 plasmenyl-PE 38:3; [M-H]-@7.49 666104.27 842443.4246 684624.7597 595064.3315 849665.9911 871384.9783 1440392.903 2019558.501 593006.7633 960477.6849 1563507.024 1687165.485 plasmenyl-PE 40:4; [M-H]-@7.62 1214104.019 914081.0361 1105508.664 959733.7205 1030020.979 1261390.974 1285827.2 1235692.319 1066559.546 1053994.918 965396.3533 1092960.057 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name moverz_quant ri ri_type pubchem_id inchi_key kegg_id other_id other_id_type CL 72:4; [M-2H](2-)@9.62 9.62 CL(72:4) LipidMaps Bulk ID CL 72:5; [M-2H](2-)@9.47 9.47 CL(72:5) LipidMaps Bulk ID CL 74:7; [M-2H](2-)@6.02 6.02 CL(74:7) LipidMaps Bulk ID FFA(16:0) FA(16:0) LipidMaps Bulk ID FFA(18:0) 5281 LMFA01010018 LipidMaps FFA(18:1) FA(18:1) LipidMaps Bulk ID FFA(18:2) FA(18:2) LipidMaps Bulk ID FFA(20:0) 10467 LMFA01010020 LipidMaps FFA(20:1) FA(20:1) LipidMaps Bulk ID FFA(20:2) FA(20:2) LipidMaps Bulk ID FFA(20:4) Arachidonic acid FA(20:4) LipidMaps Bulk ID FFA(22:0) 8215 LMFA01010022 LipidMaps FFA(22:1) FA(22:1) LipidMaps Bulk ID FFA(22:2) FA(22:2) LipidMaps Bulk ID FFA(22:3) FA(22:3) LipidMaps Bulk ID FFA(24:0) 11197 LMFA01010024 LipidMaps FFA(24:2) FA(24:2) LipidMaps Bulk ID N-(hexadecanoyl)-sphing-4-enine; [M-H]-@6.80 6.8 5283564 N-(octadecanoyl)-sphing-4-enine; [M-H]-@7.37 7.37 5283565 PC 28:0; [M-Ac-H]-@5.19 5.19 PC(28:0) LipidMaps Bulk ID PC 30:0; [M-Ac-H]-@5.85 5.85 PC(30:0) LipidMaps Bulk ID PC 30:1; [M-Ac-H]-@5.41 5.41 PC(30:1) LipidMaps Bulk ID PC 31:0; [M-Ac-H]-@6.20 6.2 PC(31:0) LipidMaps Bulk ID PC 32:1; [M-Ac-H]-@6.00 6 PC(32:1) LipidMaps Bulk ID PC 33:0; [M-Ac-H]-@6.80 6.8 PC(33:0) LipidMaps Bulk ID PC 33:1; [M-Ac-H]-@6.36 6.36 PC(33:1) LipidMaps Bulk ID PC 34:1; [M-Ac-H]-@6.56 6.56 PC(34:1) LipidMaps Bulk ID PC 34:2; [M-Ac-H]-@6.17 6.17 PC(34:2) LipidMaps Bulk ID PC 35:1; [M-Ac-H]-@6.95 6.95 PC(35:1) LipidMaps Bulk ID PC 36:0; [M-Ac-H]-@7.66 7.66 PC(36:0) LipidMaps Bulk ID PC 36:1; [M-Ac-H]-@7.15 7.15 PC(36:1) LipidMaps Bulk ID PC 36:2; [M-Ac-H]-@6.72 6.72 PC(36:2) LipidMaps Bulk ID PC 36:3; [M-Ac-H]-@6.39 6.39 PC(36:3) LipidMaps Bulk ID PC 36:4; [M-Ac-H]-@6.15 6.15 PC(36:4) LipidMaps Bulk ID PC 36:6; [M-Ac-H]-@5.40 5.4 PC(36:6) LipidMaps Bulk ID PC 38:1; [M-Ac-H]-@7.74 7.74 PC(38:1) LipidMaps Bulk ID PC 38:2; [M-Ac-H]-@7.30 7.3 PC(38:2) LipidMaps Bulk ID PC 38:3; [M-Ac-H]-@7.04 7.04 PC(38:3) LipidMaps Bulk ID PC 38:6; [M-Ac-H]-@5.98 5.98 PC(38:6) LipidMaps Bulk ID PC 38:7; [M-Ac-H]-@5.59 5.59 PC(38:7) LipidMaps Bulk ID PC 39:6; [M-Ac-H]-@6.40 6.4 PC(39:6) LipidMaps Bulk ID PC 40:4; [M-Ac-H]-@7.23 7.23 PC(40:4) LipidMaps Bulk ID PC 40:5; [M-Ac-H]-@6.91 6.91 PC(40:5) LipidMaps Bulk ID PC 40:6; [M-Ac-H]-@6.65 6.65 PC(40:6) LipidMaps Bulk ID PC 42:10; [M-Ac-H]-@5.66 5.66 PC(42:10) LipidMaps Bulk ID PC 42:6; [M-Ac-H]-@7.31 7.31 PC(42:6) LipidMaps Bulk ID PC 42:8; [M-Ac-H]-@6.34 6.34 PC(42:8) LipidMaps Bulk ID PC 44:12; [M-Ac-H]-@5.51 5.51 24779134 LMGP01011119 LipidMaps PE 32:0; [M-H]-@6.67 6.67 PE(32:0) LipidMaps Bulk ID PE 34:3; [M-H]-@5.99 5.99 PE(34:3) LipidMaps Bulk ID PE 35:0; [M-H]-@7.49 7.49 PE(35:0) LipidMaps Bulk ID PE 36:3; [M-H]-@6.46 6.46 PE(36:3) LipidMaps Bulk ID PE 36:5; [M-H]-@5.88 5.88 PE(36:5) LipidMaps Bulk ID PE 36:6; [M-H]-@5.37 5.37 PE(36:6) LipidMaps Bulk ID PE 37:4; [M-H]-@6.63 6.63 PE(37:4) LipidMaps Bulk ID PE 38:1; [M-H]-@7.83 7.83 PE(38:1) LipidMaps Bulk ID PE 38:2; [M-H]-@7.46 7.46 PE(38:2) LipidMaps Bulk ID PE 38:3; [M-H]-@7.19 7.19 PE(38:3) LipidMaps Bulk ID PE 40:4; [M-H]-@7.33 7.33 PE(40:4) LipidMaps Bulk ID PE 40:5; [M-H]-@7.04 7.04 PE(40:5) LipidMaps Bulk ID PE 40:9; [M-H]-@5.49 5.49 PE(40:9) LipidMaps Bulk ID PE 41:6; [M-H]-@7.15 7.15 PE(41:6) LipidMaps Bulk ID PE 42:7; [M-H]-@6.92 6.92 PE(42:7) LipidMaps Bulk ID PE 42:9; [M-H]-@6.06 6.06 PE(42:9) LipidMaps Bulk ID PE 44:10; [M-H]-@6.30 6.3 PE(44:10) LipidMaps Bulk ID PE 44:12; [M-H]-@5.63 5.63 9546797 LMGP02010093 LipidMaps PG 32:0; [M-H]-@5.77 5.77 PG(32:0) LipidMaps Bulk ID PG 34:1; [M-H]-@5.82 5.82 PG(34:1) LipidMaps Bulk ID PG 34:2; [M-H]-@5.42 5.42 PG(34:2) LipidMaps Bulk ID PG 36:0; [M-H]-@6.89 6.89 PG(36:0) LipidMaps Bulk ID PG 36:2; [M-H]-@5.94 5.94 PG(36:2) LipidMaps Bulk ID PG 36:3; [M-H]-@5.62 5.62 PG(36:3) LipidMaps Bulk ID PG 36:4; [M-H]-@5.41 5.41 PG(36:4) LipidMaps Bulk ID PG 36:5; [M-H]-@5.03 5.03 PG(36:5) LipidMaps Bulk ID PG 38:4; [M-H]-@6.01 6.01 PG(38:4) LipidMaps Bulk ID PG 38:5; [M-H]-@5.54 5.54 PG(38:5) LipidMaps Bulk ID PG 38:6; [M-H]-@5.34 5.34 PG(38:6) LipidMaps Bulk ID PG 40:6; [M-H]-@5.95 5.95 PG(40:6) LipidMaps Bulk ID PG 40:7; [M-H]-@5.16 5.16 PG(40:7) LipidMaps Bulk ID PG 40:8; [M-H]-@4.64 4.64 PG(40:8) LipidMaps Bulk ID PG 42:10; [M-H]-@4.64 4.64 PG(42:10) LipidMaps Bulk ID PG 44:11; [M-H]-@4.73 4.73 PG 44:11 LipidBLAST PG 44:12; [M-H]-@4.49 4.49 52927240 LMGP04010977 LipidMaps PI 36:4; [M-H]-@5.22 5.22 PI(36:4) LipidMaps Bulk ID PI 38:4; [M-H]-@5.85 5.85 PI(38:4) LipidMaps Bulk ID PS 34:1; [M-H]-@5.99 5.99 PS(34:1) LipidMaps Bulk ID PS 34:2; [M-H]-@5.30 5.3 PS(34:2) LipidMaps Bulk ID PS 36:4; [M-H]-@5.31 5.31 PS(36:4) LipidMaps Bulk ID PS 38:4; [M-H]-@5.93 5.93 PS(38:4) LipidMaps Bulk ID PS 38:6; [M-H]-@5.21 5.21 PS(38:6) LipidMaps Bulk ID PS 40:4; [M-H]-@6.42 6.42 PS(40:4) LipidMaps Bulk ID PS 40:6; [M-H]-@5.88 5.88 PS(40:6) LipidMaps Bulk ID PS 40:7; [M-H]-@5.32 5.32 PS(40:7) LipidMaps Bulk ID PS 42:10; [M-H]-@4.78 4.78 PS(42:10) LipidMaps Bulk ID PS 42:11; [M-H]-@4.37 4.37 PS(42:11) LipidMaps Bulk ID PS 42:7; [M-H]-@5.97 5.97 PS(42:7) LipidMaps Bulk ID PS 42:9; [M-H]-@5.05 5.05 PS(42:9) LipidMaps Bulk ID PS 44:10; [M-H]-@5.32 5.32 PS(44:10) LipidMaps Bulk ID PS 44:11; [M-H]-@4.88 4.88 PS 44:11 LipidBLAST PS 44:12; [M-H]-@4.67 4.67 46891812 LMGP01030017 LipidMaps lysoPE 18:0; [M-H]-@2.44 2.44 LPE(18:0) LipidMaps Bulk ID plasmenyl-PE 32:0; [M-H]-@7.02 7.02 PE(P-32:0) LipidMaps Bulk ID plasmenyl-PE 34:0; [M-H]-@7.40 7.4 PE(P-34:0) LipidMaps Bulk ID plasmenyl-PE 34:1; [M-H]-@7.06 7.06 PE(P-34:1) LipidMaps Bulk ID plasmenyl-PE 34:2; [M-H]-@6.65 6.65 PE(P-34:2) LipidMaps Bulk ID plasmenyl-PE 36:2; [M-H]-@7.24 7.24 PE(P-36:2) LipidMaps Bulk ID plasmenyl-PE 38:2; [M-H]-@7.75 7.75 PE(P-38:2) LipidMaps Bulk ID plasmenyl-PE 38:3; [M-H]-@7.49 7.49 PE(P-38:3) LipidMaps Bulk ID plasmenyl-PE 40:4; [M-H]-@7.62 7.62 PE(P-40:4) LipidMaps Bulk ID METABOLITES_END #END