#METABOLOMICS WORKBENCH araskind_20170605_134746 DATATRACK_ID:960 STUDY_ID:ST000678 ANALYSIS_ID:AN001042 PROJECT_ID:PR000480 VERSION 1 CREATED_ON June 30, 2017, 11:06 am #PROJECT PR:PROJECT_TITLE Functional genomics study on Non Alcoholic fatty liver disease (NAFLD) PR:PROJECT_TYPE MS analysis PR:PROJECT_SUMMARY In this study, we determine the genetic mechanism of action by which variants PR:PROJECT_SUMMARY near PNPLA3 and PPP1R3B exert their effects on promoting NAFLD PR:INSTITUTE University of Michigan PR:DEPARTMENT Internal Medicine PR:LABORATORY Speliotes Lab PR:LAST_NAME Speliotes PR:FIRST_NAME Elizabeth PR:ADDRESS Ann Arbor, MI PR:EMAIL espeliot@umich.edu PR:PHONE 734-647-2964 #STUDY ST:STUDY_TITLE Functional genomics study on Non Alcoholic fatty liver disease (NAFLD) ST:STUDY_TYPE MS analysis ST:STUDY_SUMMARY In this experiment, vector , GCKR (WT), GCKR(P446L), PPP1R3B, TM6SF2 (WT and ST:STUDY_SUMMARY E167K) overexpression stable HuH-7_Lok cell lines as well as Non-target, GCKR ST:STUDY_SUMMARY shRNA (52621), PPP1R3B shRNA (2640), TM6SF2 shRNA (382426) knockdown HuH-7_Lok ST:STUDY_SUMMARY cell lines are used to do the lipidomics experiments 3 X 100 mm dishes of cells ST:STUDY_SUMMARY were seeded (1x106 cells/dish) for each cell line and incubated at 37? C for 24 ST:STUDY_SUMMARY hours, then replaced medium with delipidated serum DMEM medium. After 24 hours, ST:STUDY_SUMMARY treated with BSA-OA (200?M) for another 24 hours before the collection of cells ST:STUDY_SUMMARY Add 4mL/dish 50 mM ammonium acetate wash cells and then quench cells by adding ST:STUDY_SUMMARY liquid nitrogen covering all the surface of dish. Store the cell samples in ST:STUDY_SUMMARY -80?C freezer. ST:INSTITUTE University of Michigan ST:DEPARTMENT Biomedical Research Core Facilities ST:LABORATORY Metabolomics core ST:LAST_NAME Kachman ST:FIRST_NAME Maureen ST:ADDRESS 6300 Brehm Tower, 1000 Wall Street, Ann Arbor, MI 48105-5714 ST:EMAIL mkachman@med.umich.edu ST:PHONE (734) 232-8175 ST:NUM_GROUPS 6 ST:TOTAL_SUBJECTS 1 #SUBJECT SU:SUBJECT_TYPE Human SU:SUBJECT_SPECIES Homo sapiens SU:TAXONOMY_ID 9606 #SUBJECT_SAMPLE_FACTORS: SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Additional sample data SUBJECT_SAMPLE_FACTORS SU0016258 S00026014 Construct:Vector SUBJECT_SAMPLE_FACTORS SU0016258 S00026015 Construct:Vector SUBJECT_SAMPLE_FACTORS SU0016258 S00026016 Construct:Vector SUBJECT_SAMPLE_FACTORS SU0016258 S00026017 Construct:PPP1R3B_3 SUBJECT_SAMPLE_FACTORS SU0016258 S00026018 Construct:PPP1R3B_3 SUBJECT_SAMPLE_FACTORS SU0016258 S00026019 Construct:PPP1R3B_3 SUBJECT_SAMPLE_FACTORS SU0016258 S00026020 Construct:GCKR(WT) SUBJECT_SAMPLE_FACTORS SU0016258 S00026021 Construct:GCKR(WT) SUBJECT_SAMPLE_FACTORS SU0016258 S00026022 Construct:GCKR(WT) SUBJECT_SAMPLE_FACTORS SU0016258 S00026023 Construct:GCKR(P446L) SUBJECT_SAMPLE_FACTORS SU0016258 S00026024 Construct:GCKR(P446L) SUBJECT_SAMPLE_FACTORS SU0016258 S00026025 Construct:GCKR(P446L) SUBJECT_SAMPLE_FACTORS SU0016258 S00026026 Construct:NT SUBJECT_SAMPLE_FACTORS SU0016258 S00026027 Construct:NT SUBJECT_SAMPLE_FACTORS SU0016258 S00026028 Construct:NT SUBJECT_SAMPLE_FACTORS SU0016258 S00026029 Construct:PPP1R3B_2640 SUBJECT_SAMPLE_FACTORS SU0016258 S00026030 Construct:PPP1R3B_2640 SUBJECT_SAMPLE_FACTORS SU0016258 S00026031 Construct:PPP1R3B_2640 #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 S00026014 S00026015 S00026016 S00026017 S00026018 S00026019 S00026020 S00026021 S00026022 S00026023 S00026024 S00026025 S00026026 S00026027 S00026028 S00026029 S00026030 S00026031 Factors Construct:Vector Construct:Vector Construct:Vector Construct:PPP1R3B_3 Construct:PPP1R3B_3 Construct:PPP1R3B_3 Construct:GCKR(WT) Construct:GCKR(WT) Construct:GCKR(WT) Construct:GCKR(P446L) Construct:GCKR(P446L) Construct:GCKR(P446L) Construct:NT Construct:NT Construct:NT Construct:PPP1R3B_2640 Construct:PPP1R3B_2640 Construct:PPP1R3B_2640 CL 66:4; [M-2H](2-)@9.01 75566.47338 87460.59622 39467.06167 74983.84643 67458.85943 84171.49535 66872.09854 51321.83507 49082.60358 78495.18189 15137.78992 13250.29055 46781.2617 45004.44425 34536.03796 7548.09119 30290.76212 13852.97021 CL 68:3; [M-2H](2-)@9.44 203894.003 203764.4608 32290.6636 136493.6814 103870.9228 202552.9223 109276.9297 114895.2032 78623.61957 191620.9741 26328.96708 33461.90281 144339.4558 104261.1459 52188.27337 12230.15161 61339.78034 91163.82785 CL 68:4; [M-2H](2-)@9.26 601081.5547 359611.6782 45891.64026 308789.4567 306184.1513 433951.4801 244661.7631 184239.6737 183025.2798 447557.172 47849.05468 45018.65196 284160.8891 227089.2392 109877.665 20699.04225 153998.0456 160586.5148 CL 70:3; [M-2H](2-)@9.68 61244.21555 108672.1218 51508.15267 56132.91601 69833.75914 61179.46249 99577.92634 68655.44549 63167.65868 110819.3495 23200.20319 29464.85338 56744.36762 74855.89342 66679.47817 47922.6818 157326.714 88097.01151 CL 70:4; [M-2H](2-)@9.49 437560.2623 472070.3174 87316.07017 270749.7262 210186.0336 369541.8765 275024.6646 177953.0539 178522.7092 347288.0913 43151.83847 45682.43555 348036.5777 276431.9495 101581.6782 32203.00752 262115.3475 272288.8375 CL 70:5; [M-2H](2-)@9.31 55030.83786 76100.9151 56502.03108 56157.63794 64213.46778 66189.74794 76608.50474 40166.35631 38816.1313 66995.52089 20841.24918 24924.84798 59090.67345 59653.11759 64928.19954 12519.69918 68957.02705 26857.70058 CL 72:4; [M-2H](2-)@9.71 74249.30619 80277.78704 23244.52353 41902.45408 38837.0056 71909.70111 95182.24717 59531.27459 75911.49215 44954.34913 10202.79988 9924.544622 64118.25541 69508.68395 53653.90265 44027.96008 228112.932 94697.2447 CL 72:5; [M-2H](2-)@9.56 43437.6004 42214.65271 14279.55728 30235.27916 30013.94553 40419.95733 30558.91842 23979.03358 28210.00303 22697.38357 5992.518501 7680.542267 35514.80263 55692.51621 38179.73622 15448.3681 26724.33235 20576.65639 CL 74:7; [M-2H](2-)@6.05 8971866.324 4467021.117 1461827.457 5906293.385 4691620.727 9972151.482 8201002.394 3483412.91 3475985.899 4148518.023 778600.2263 835776.959 3497353.964 3642548.84 1060647.273 785675.223 2833228.609 3369562.779 FFA(16:0) 37270215.86 65648300.91 189047808.3 48660660 54633430.87 43415091.17 79598832.44 43283550.52 40008907.44 110680167.5 19268491.41 29101998.05 39676894.74 57702954.2 61944653.99 22983079.35 89412217.93 37937821.08 FFA(18:0) 47521823.56 79883469.26 209453607.3 63938541.29 61342272.99 51721474.36 106547706.8 52812789.15 47985483.75 138849556.5 23654848.71 34935649.05 49174073.9 64779352.31 80090853.65 30596848.7 98535452.84 45211967.25 FFA(18:1) 45513630.74 96465469.88 39381339.98 35896638.33 27879007.98 37727231.33 68869047.29 38250872.85 51794235.01 70235483.91 10933061.39 14299002.25 78800910.6 84602654.92 65153163.27 19262915.98 55416095.42 23716426.3 FFA(18:2) 1668016.392 6171519.679 9358850.306 2083044.592 1576449.184 1531478.887 6933213.921 2999241.78 3211902.635 8368529.4 803573.2203 1258251.829 4052194.613 4562803.044 3840384.657 931436.2121 3842138.6 1162447.501 FFA(20:0) 2145140.294 3663678.888 9784598.83 2733225.419 2875957.884 2450028.927 4914427.642 2481682.768 2314277.01 6179885.385 909564.1611 1407034.428 2063430.105 3238826.066 2901286.243 1069434.647 5339750.822 1845551.958 FFA(20:1) 2079383.105 7334365.397 7144694.773 2060265.209 1704545.387 1899189.503 5728848.589 2606836.85 2660568.548 5868965.08 484017.2662 761273.0466 5244585.059 6521842.499 4637069.311 1690060.959 6080574.423 1777753.136 FFA(20:2) 4749822.522 9450548.775 2120274.199 2884221.65 2213804.622 4549164.376 8528168.765 3078431.765 5022750.831 5375546.977 407904.412 504270.7899 7441228.713 7616620.394 3743833.568 1118874.795 4551432.333 1675755.667 FFA(20:4) Arachidonic acid 723143.1345 1620765.286 1773121.298 580297.859 528265.6627 416925.9924 2029239.849 898320.0568 891454.1508 3178495.658 241402.3895 296920.9729 1258270.241 1504462.245 1157064.852 755847.7197 3030069.233 720312.2564 FFA(22:0) 617044.2654 951237.3944 2483273.52 815778.9282 808401.8831 743811.4196 1233310.626 655767.2567 620075.8736 1493447.954 232021.5904 341512.7443 657214.5981 770049.7163 862964.1124 320120.1485 1389186 509269.477 FFA(22:1) 1065019.833 1727541.095 432301.9976 660807.2775 483813.7458 1215897.314 1322504.332 545061.3944 764273.2582 942555.7398 94007.55115 130599.4706 1522500.129 1753408.262 706503.8972 227879.8895 1098090.732 492803.6697 FFA(22:2) 315688.7271 1135317.478 1140713.43 363478.8798 248481.726 326386.8816 970619.723 412886.3818 489940.0008 970583.3144 81796.28311 120236.267 839011.284 1087271.585 728593.2965 230184.6251 960140.7415 264837.0803 FFA(22:3) 938323.1454 3908812.089 5230136.13 1489869.214 958864.2861 1098209.296 3947220.396 1603659.288 1760964.356 4099899.802 359244.9905 469798.1851 4020435.785 4328420.822 4116433.339 944044.8471 3388970.037 976382.5998 FFA(24:0) 308435.7531 429293.39 168718.2541 299563.7519 254260.794 341951.3871 444018.7549 195313.6968 217913.6983 284763.5234 62094.63385 61006.45224 291718.0397 376170.7572 507598.3736 120554.0799 251516.5139 127303.271 FFA(24:1) 737802.8887 1648263.464 1529465.258 779425.5171 718426.5032 737114.1314 1747508.114 829493.9901 795067.3169 2084943.146 259500.6286 347155.3292 1457876.916 1843056.952 1314238.504 417607.4672 1279640.681 492212.9768 FFA(24:2) 191718.9631 609505.2874 479945.9009 241634.8971 180236.6237 180007.7346 550929.8739 262566.4235 248979.5041 561237.9665 61900.28663 94812.08176 583298.703 728299.8053 501423.2598 171417.764 634772.4314 234708.03 FFA(24:3) 225204.5603 843424.6458 875717.7081 327256.8039 235163.8113 278895.9061 835522.4113 329374.5702 350395.4505 832861.4797 84047.88716 112107.0366 766737.7279 1121854.646 767002.0815 140293.9426 646799.8913 199527.1759 N-(15Z-tetracosenoyl)-sphing-4-enine; [M-H]-@8.46 237949.0596 263450.4881 472872.635 246498.0897 262462.7492 223776.6677 435469.4953 233453.3031 208893.9332 516707.7687 92068.25385 117737.7726 236136.1506 303297.1756 249424.3121 105860.6242 360911.4352 203226.5117 N-(hexadecanoyl)-sphing-4-enine; [M-H]-@6.82 545930.3471 389599.1596 122682.2849 410971.9832 424279.0985 786752.5266 408910.6169 193651.8573 190084.2613 315994.0202 60894.63162 73590.47201 484911.9022 445863.0235 293585.7299 120636.4093 316710.2853 253914.5955 N-(hexadecanoyl)-sphinganine; [M-H]-@7.07 114933.5285 158362.1336 394064.7881 186050.1086 179035.2723 153778.7481 252974.6572 147957.6126 133007.7325 340692.1122 53211.62691 57851.76759 108964.9651 145290.6943 139958.3624 43801.57522 139088.6002 71241.11572 N-(octadecanoyl)-sphing-4-enine; [M-H]-@7.44 47471.26256 33925.05559 51110.95632 43614.90418 42981.20382 45541.00919 55308.25911 33783.13355 29236.87635 69210.72772 8084.729573 10958.98453 51541.86471 53572.54475 54750.70859 26314.85106 56597.7779 38887.94102 PA 34:1; [M-H]-@5.79 16567.74627 28536.74023 3820.858212 10966.35516 23377.08799 16969.73545 24061.56869 13996.19993 5271.673299 15153.57108 3694.004491 3512.508432 10488.70952 20065.0386 6588.754775 2625.724257 6767.50643 9952.441524 PC 26:0; [M-Ac-H]-@4.44 26108.17664 30086.27974 3474.312568 13658.72204 9547.918559 11406.68162 16884.5744 12194.17651 13731.68985 18784.82508 2796.797569 4955.583647 8561.597979 10956.40705 6092.497679 1031.567282 9005.889436 8515.670294 PC 28:0; [M-Ac-H]-@5.19 633991.208 532319.3675 196720.5521 313684.9809 323822.1505 561117.6725 658116.8487 299796.4396 353735.678 453646.0427 94048.45317 101833.1483 381646.1102 376523.6982 168284.8371 74372.76254 291384.258 234368.0185 PC 28:1; [M-Ac-H]-@4.69 113098.4151 72003.63477 30979.57636 38944.11708 52428.15695 127826.6622 159207.4991 41893.63734 50407.92075 65286.48641 18673.90149 14701.18463 25809.13037 34607.99581 32523.62061 6586.852892 48108.98617 43705.38455 PC 29:0; [M-Ac-H]-@5.47 535629.4742 336208.8689 111620.5027 239975.3758 225040.906 443883.7143 356839.9394 181398.9986 205567.0241 283769.537 64069.17741 55335.82669 286273.4974 336290.9805 156869.1235 47557.43772 182665.7127 144681.8208 PC 30:0; [M-Ac-H]-@5.88 2905894.18 2147946.881 798284.2663 1524532.756 1480009.522 2454615.081 2655760.596 1034465.242 1469943.591 2050909.7 392560.0917 430912.0616 1732843.116 1787233.497 911381.2248 479760.3391 1864683.201 1251558.772 PC 30:1; [M-Ac-H]-@5.37 2797677.307 2116744.887 801956.4467 1559199.269 1502133.169 2959296.326 2783476.182 1213855.214 1418892.593 1762759.887 315839.319 353624.7274 1202607.9 1438527.197 713672.5898 280347.1509 1090765.182 918859.1592 PC 30:2; [M-Ac-H]-@4.92 133547.77 192830.9141 506276.3043 130516.5399 136233.8822 176483.5036 270788.3272 116569.1564 151845.2764 346140.0294 79123.57531 78914.16104 73153.1407 94075.92112 126602.9229 24858.81112 98544.87138 59931.10961 PC 31:0; [M-Ac-H]-@6.14 1815751.841 1194371.604 323716.6831 1073633.06 980694.0354 1679095.488 1244594.645 573314.499 615538.6859 866995.9126 176415.4788 190617.6098 1021890.056 1358468.026 494677.3862 164223.8124 774597.7576 499779.3593 PC 31:1; [M-Ac-H]-@5.63 1043604.07 1415436.854 1401799.497 1089856.801 724800.5498 705075.3366 1714310.429 565122.4415 757918.0816 1197278.219 239045.9553 314208.5887 928468.1188 790241.0064 1096229.186 173831.8384 601817.5262 347106.6057 PC 32:1; [M-Ac-H]-@6.00 23363827.79 13779292.95 3820191.617 12474152.83 12671139.13 25680193.86 18329876.5 9596038.47 9766607.353 11753393.23 2279947.115 2312475.502 9012652.44 10432238.87 3733419.131 1827872.589 8574155.461 7315778.976 PC 32:2; [M-Ac-H]-@5.57 2709305.865 3682093.082 7114578.003 3186058.891 2957298.251 2903082.11 5088164.142 2578391.1 2312832.823 5867777.124 1173109.095 1518265.64 1914482.78 2293661.884 2159764.131 733863.5215 2587917.392 1481963.229 PC 32:3; [M-Ac-H]-@5.27 823136.2504 648064.5659 317345.0536 502923.2166 507923.1517 922391.332 820594.6915 360720.6936 399533.9782 590386.4597 115431.6086 130660.0452 327077.3902 346995.7819 172240.8472 67588.76516 228075.7866 171607.663 PC 33:0; [M-Ac-H]-@6.73 837892.1631 602176.3253 207139.096 694334.7674 591946.8013 1199623.301 587220.4003 278443.8112 365668.2531 497659.8497 93279.03668 86542.1566 455096.5841 531098.3668 258015.9371 117964.8148 398004.8365 284607.2096 PC 33:1; [M-Ac-H]-@6.30 4377407.583 2672584.018 920402.6171 2769064.177 2682740.056 5544744.295 3159873.282 1572011.194 1761977.159 1910641.016 353315.4876 495748.1498 2410380.678 2764465.496 1228524.24 279362.8775 1404849.522 1005151.525 PC 33:2; [M-Ac-H]-@5.93 1041329.709 631568.0829 414027.2081 861587.0049 643024.9462 911814.8151 479175.0926 520614.2166 372294.4832 408341.2837 133547.8003 160752.995 412456.6716 463724.6544 316556.63 79914.95248 427724.3126 151138.9161 PC 34:1; [M-Ac-H]-@6.59 26111305.13 15881738.83 8153259.669 16854834.94 15476870.08 26617116.35 22797490.26 11208962.59 13572357.2 18391820.13 3510293.762 3481527.467 16001515.63 17233687.31 9010426.937 5029423.282 17093167.12 11383398.57 PC 34:2; [M-Ac-H]-@6.18 14014810.95 9568701.008 3897397.994 8453065.883 8771774.268 16442164.67 14577019.02 6606977.778 7455179.077 9215404.817 1737671.281 1847106.05 7245207.334 8246816.314 3291343.576 1463668.746 7271614.647 5000428.02 PC 34:3; [M-Ac-H]-@5.79 3016864.678 1329030.068 992983.6514 2059434.179 2164234.334 4098649.815 2820727.552 1369496.549 1091790.081 2349202.32 469835.6383 467704.9964 1307363.115 1514156.301 587153.6522 277851.9938 1125015.566 889861.2094 PC 34:4; [M-Ac-H]-@5.50 681832.0233 606670.982 275871.7558 500264.262 531116.3354 829109.8061 760659.8532 386546.0497 297533.4484 933369.5706 116514.2108 125426.4885 304969.7804 574590.112 123375.5173 43177.96206 222549.3189 267223.2573 PC 35:0; [M-Ac-H]-@7.31 206318.3324 137426.6685 55715.97112 203405.5951 201897.7728 211288.1864 129873.132 102369.6051 83651.98892 92995.97564 29309.91288 19112.39644 137660.4229 103333.4918 87320.52595 37358.17196 114139.4441 57822.90202 PC 35:1; [M-Ac-H]-@6.88 2298758.593 1688415.77 679559.7165 1908169.838 1688560.181 2627652.221 1353797.225 906704.6995 1017320.044 1185755.51 298283.07 281168.8818 1474670.58 1673986.852 1158115.938 310867.0699 956120.3577 716731.6329 PC 35:2; [M-Ac-H]-@6.47 1843297.86 871184.3994 286737.826 1203352.79 1049556.261 2466189.286 1214970.764 731134.3032 807582.663 1190290.187 204550.6198 212812.9465 826959.8328 987324.3312 425360.236 275579.152 603637.3293 694921.3718 PC 35:3; [M-Ac-H]-@6.12 907418.9733 525751.8489 161798.1089 707855.056 757812.5371 1336280.309 700574.5102 323598.76 305905.0957 445209.5698 83765.64494 89090.73419 375273.9025 392417.5358 179724.4184 64751.98629 269964.6973 208224.8786 PC 35:4; [M-Ac-H]-@5.81 447479.7011 265315.7928 87599.6911 343617.3786 356263.0242 681288.6472 372845.5458 183521.4292 202544.6308 235861.1964 43454.05504 45783.25571 349881.2415 322892.011 123178.5863 72159.98197 229459.6697 197381.2128 PC 36:1; [M-Ac-H]-@7.16 13777757.15 9167876.483 2181962.656 8968623.717 9131105.891 15637580.14 10244061.02 5252319.523 5644206.237 6805871.884 1268549.088 1351170.775 6112754.427 6266553.025 2586994.848 1564086.111 6175802.745 5866861.84 PC 36:4; [M-Ac-H]-@6.07 3151336.234 1905483.757 553086.392 2113463.518 2270232.355 3876165.61 2783061.108 1187039.748 1192558.452 1765194.848 319508.8272 357774.872 1281455.028 1363149.469 527992.1193 266048.2899 1192492.143 988518.0524 PC 36:5; [M-Ac-H]-@5.66 526406.0064 399325.6527 174291.2379 350122.7441 323595.4435 462607.8368 350078.565 235540.2775 263164.5368 298253.4486 65824.23738 78665.53838 179710.6425 293260.1261 215311.5012 75062.58226 187452.1994 168126.0197 PC 36:6; [M-Ac-H]-@5.35 47791.95127 69020.03965 154017.3011 58875.69116 60288.64861 58745.2149 113061.6979 53972.63828 38290.43163 90940.3735 19529.97539 27605.02758 46508.43366 62852.20032 45847.28393 14326.84239 63958.98351 32112.4254 PC 37:1; [M-Ac-H]-@7.41 1341273.935 1208088.555 394347.6638 999630.9298 853353.1089 1366393.846 1037854.66 619674.7753 382547.942 1251696.594 139561.2197 176567.7858 849964.5249 1000497.507 261282.8549 46792.30613 492624.3865 486005.3767 PC 37:2; [M-Ac-H]-@7.06 540847.6881 394368.6382 94209.45668 430920.9023 425244.3681 531119.8743 284966.1115 217171.4525 234073.146 286798.9497 58800.21982 47738.8475 290628.4363 383393.9805 230291.9852 68377.38165 180568.5468 147241.9155 PC 37:3; [M-Ac-H]-@6.78 619529.7711 449767.2308 115459.8741 680488.6039 609915.7998 1055669.075 414100.0812 221638.8681 268274.4815 416805.3458 65682.99824 64647.69667 230011.4737 293108.7369 153679.8222 64208.95317 191598.9136 194324.3635 PC 37:4; [M-Ac-H]-@6.44 925676.9394 697733.4003 179829.3578 780013.9495 635707.0106 1127110.458 629988.1844 362901.0446 291224.9185 865275.9353 129379.0765 121320.6339 456092.7671 480182.736 136991.4519 34627.99572 340285.3865 328905.0111 PC 37:5; [M-Ac-H]-@6.00 50803.36883 55595.26606 121174.0494 47943.43899 105744.4975 63949.11612 64648.18181 45088.59194 46980.51 83800.7925 17238.35801 36261.94564 101841.09 48574.83881 39887.60404 15761.19157 39835.27694 39624.76675 PC 37:6; [M-Ac-H]-@5.66 258565.467 167546.7323 9241.192686 166824.5762 210669.3747 298708.602 140693.8757 91171.78894 77740.10941 109501.3509 16901.04509 7520.147205 178360.8796 184124.3208 88979.88713 39250.27449 72220.50607 128491.4541 PC 38:1; [M-Ac-H]-@7.74 839249.3594 412353.7017 127508.7794 472825.0872 305184.882 975493.9503 403170.4742 182635.0771 249952.244 324514.1664 58235.39568 71518.9666 258366.9433 318641.5141 136020.1758 76489.67435 298606.0236 230311.5761 PC 38:2; [M-Ac-H]-@7.29 2849208.182 1905575.643 695435.9579 1875473.371 1906574.948 3571148.878 2082688.558 1029865.83 1066427.425 1403735.165 270121.612 293902.4755 1356883.966 1509840.289 678384.8181 340675.5678 1538039.839 1144722.948 PC 38:3; [M-Ac-H]-@7.01 4714668.357 3391536.408 1117595.128 4060441.906 2635291.257 7776619.835 4049144.024 956095.2652 2177508.38 2870547.864 532163.1829 606445.0216 2057662.857 2186079.725 1004734.982 510171.9773 1947732.236 888952.0194 PC 38:4; [M-Ac-H]-@6.68 3467874.052 2457392.996 871598.3658 2932824.553 2758293.239 5020851.885 3019544.316 1379255.357 1559765.93 2749009.598 501061.4533 523379.8926 1642964.442 1430569.326 869180.7819 556815.9212 1829837.497 1538141.599 PC 38:5; [M-Ac-H]-@6.30 1975110.472 1258714.627 408930.6191 1099522.285 1170191.336 2211564.649 1602150.804 720596.3969 844141.9805 1150419.07 208912.5664 236060.1208 1033147.843 1165793.81 490461.8239 240587.6146 1266254.56 847797.9269 PC 38:7; [M-Ac-H]-@5.55 317287.0736 177900.2433 68477.94389 152328.3466 179456.3395 284619.9966 238433.3604 107553.0003 122362.1799 133470.2612 22596.69433 26863.19777 110083.6261 123412.8357 64501.35311 28207.77434 95437.47936 84297.5337 PC 39:2; [M-Ac-H]-@7.57 111405.7439 106852.2558 12706.16222 108653.0901 114792.1302 177848.1418 107870.6938 42998.67984 30422.28469 54268.02583 12669.09094 9648.406417 60010.31274 47855.60829 53516.34351 17230.23071 84178.51925 31686.47858 PC 39:3; [M-Ac-H]-@7.39 139121.2616 125808.9852 35988.0423 151033.0657 149953.7942 211249.1567 83104.18631 56490.83458 62367.38827 63954.23188 14475.87409 18630.56383 63189.88179 84426.46083 69976.50676 18689.49152 39221.69272 34017.66991 PC 39:6; [M-Ac-H]-@6.30 109776.0002 61407.41106 16465.02232 55052.192 59636.99788 115744.7235 65981.99437 29904.05649 39752.17103 36464.04015 8263.387858 8424.358776 57714.47436 55524.07081 25996.36657 13715.39788 48261.70227 30867.17493 PC 40:0; [M-Ac-H]-@8.66 27596.00402 15656.32982 19421.53111 19841.84058 28833.24091 44598.23882 27265.41921 20225.65628 13675.86397 48454.12081 7663.318174 11378.79369 9588.429185 16539.49779 18260.99025 4082.688754 17741.64839 29020.13347 PC 40:1; [M-Ac-H]-@8.22 189472.8633 173337.2465 28205.38857 126844.9648 106469.2248 145210.1308 85363.21373 70009.84308 71188.97508 77874.83786 14851.74059 19698.37734 96174.13369 106033.9075 53166.74033 27295.29305 67565.74599 45423.23714 PC 40:2; [M-Ac-H]-@7.83 335800.5516 263498.2995 104388.0804 241763.4904 229557.2398 334794.5952 208443.1645 129914.2937 176442.0637 220995.2154 34496.32597 47018.6831 224929.1851 265018.9611 162470.6511 54005.63826 222505.5602 128980.0807 PC 40:3; [M-Ac-H]-@7.48 362319.5424 231200.3972 61413.84307 296112.994 310116.7091 560944.5997 328604.8094 150083.4168 176181.5587 244913.8433 28240.89908 34299.0701 222062.5973 227131.2235 113671.2372 46504.61981 205290.0212 180058.8176 PC 40:4; [M-Ac-H]-@7.17 488810.1989 356977.9269 103402.8375 399922.2558 350030.7632 745741.3183 446352.6127 209505.2846 235293.502 335742.2686 62601.05521 68139.87838 280239.1902 314124.26 120054.1922 66689.5784 240398.6716 248516.804 PC 40:5; [M-Ac-H]-@6.90 480175.4577 325500.1515 96455.90558 338050.3313 305708.0992 551813.1048 315624.1161 159270.6042 193572.8828 228781.1944 39944.59111 57960.94044 172001.3893 204477.1092 105521.4348 50669.45346 205042.0909 168477.6934 PC 40:6; [M-Ac-H]-@6.55 579131.039 198796.3098 76169.47692 242394.9961 234216.8958 462619.8093 305050.539 136599.4848 155831.9129 193337.787 41039.6133 38816.25216 175781.3866 272732.3637 101859.4063 47608.28863 182049.7228 152423.0371 PC 40:7; [M-Ac-H]-@6.18 791803.8707 596652.9045 228893.0598 446113.0537 479473.0979 549125.6002 506441.8129 355239.2877 382516.5855 324208.4263 80732.49907 78601.48825 402820.9235 536770.581 329954.5226 103745.2576 402393.1322 245383.3054 PC 42:1; [M-Ac-H]-@8.71 183200.45 130084.6641 30450.08907 157010.3743 115448.0739 186228.8955 110240.3271 64625.34504 64920.1462 98668.71166 16509.24726 23141.67169 79493.14404 84226.6913 41568.76572 24545.96861 49273.06722 52116.49264 PC 42:2; [M-Ac-H]-@8.30 314210.2706 184470.4778 63370.69136 218495.0071 197291.7259 431374.5461 221709.5518 135972.4603 143579.0829 216789.9805 37883.85649 40833.78064 148798.5744 204399.7705 80924.72585 46141.42969 152288.5133 133123.7323 PC 42:4; [M-Ac-H]-@7.66 56851.19377 112152.6728 206692.1484 125484.2903 112767.4534 98820.13226 129028.4029 67072.8902 72186.24399 201049.7389 34833.69667 36293.30919 63455.07428 91654.84555 55310.00753 29076.40267 110667.8821 56788.53783 PC 42:5; [M-Ac-H]-@7.37 42230.20841 43331.81622 16356.40261 37736.55459 62080.08683 74313.37047 51048.77556 27537.69253 25458.83163 35384.0429 8021.214201 8649.743375 29048.64253 50922.69516 24964.03631 15032.12129 23578.79314 20101.01958 PC 42:6; [M-Ac-H]-@7.14 52046.19665 51346.07062 17301.39499 48434.22415 65042.33966 59435.73032 34061.11158 23775.5692 41255.06952 39408.90009 9677.869597 8635.21545 40757.90948 31189.85488 35567.04086 8424.242573 37243.67976 17948.72834 PC 42:7; [M-Ac-H]-@6.75 91029.41799 97150.67653 11583.05487 58599.913 32821.23874 78863.03858 68143.53934 20890.11552 20281.81239 83701.98323 15043.44633 5881.851748 44494.66903 57995.40259 18352.07508 6230.908367 46904.70585 33339.95301 PC 42:9; [M-Ac-H]-@6.11 48504.19449 46318.98283 52441.37128 38877.8848 60500.6171 39006.372 87632.93717 33401.53763 20878.75059 85641.98885 18227.61059 19849.05258 27251.36988 32378.24322 41598.66971 21957.5924 49355.62418 27910.50014 PC 44:1; [M-Ac-H]-@9.15 166242.9649 88077.39145 9525.553848 83582.721 65286.50496 194377.608 74287.38062 47061.73601 54355.83974 159998.2915 17730.90241 19342.74089 53830.11296 73617.59096 36681.5367 6121.081547 53775.40818 40754.84475 PC 44:2; [M-Ac-H]-@8.74 242008.0351 258860.6131 49239.07577 176139.3134 183693.3629 305539.7229 251444.237 120966.1962 127608.9258 322087.0687 53914.64357 37865.43249 165072.4517 179079.705 57183.31938 19649.33576 139615.1289 164995.3595 PC 44:3; [M-Ac-H]-@8.39 311978.3806 236216.5959 42955.42415 248063.5422 186310.8491 212831.313 185600.613 145931.4091 100032.6509 328744.6313 37588.51107 43895.2374 111644.4598 165043.9097 59708.8569 18832.97579 163261.2626 140120.7364 PC 46:5; [M-Ac-H]-@8.32 68001.42062 42989.43 5862.941561 56926.65469 56541.70224 79209.46996 44644.083 28120.9241 27322.0359 43361.67405 6695.998543 8110.198392 24552.68824 26714.75646 9804.12081 9607.704588 39118.67189 26024.19832 PE 30:0; [M-H]-@6.04 110070.3385 203844.4607 306484.7418 132309.1201 123983.8702 108325.7539 260090.1522 139866.8311 104616.6246 394473.876 95611.95061 92010.09601 177445.6849 247330.7926 184102.9167 65521.48729 103279.839 112472.5736 PE 31:1; [M-H]-@5.94 301969.3199 273544.8845 85146.78999 272691.1452 341617.3877 383731.4347 176384.7996 194095.4427 169858.0131 229591.0415 55984.38694 55417.33775 139054.7865 229001.242 97935.00708 19181.59659 70041.16361 47161.59835 PE 32:0; [M-H]-@6.73 250972.3597 223289.9934 119975.0003 159207.0181 152610.4211 206757.4998 311240.3319 158622.9997 214270.324 250769.6926 46207.19583 58578.74548 203196.3936 270904.7099 203496.0848 78351.69066 223973.3495 153160.1391 PE 32:1; [M-H]-@6.21 6719880.459 6286718.044 2099697.04 4045480.175 3776402.163 4893867.203 6771308.22 3567739.582 2864968.578 8428969.056 1172300.91 1083476.632 3665700.322 4094341.302 1319749.669 292487.1043 1985076.43 2602461.002 PE 33:0; [M-H]-@6.89 180962.1928 278840.089 81163.87565 131710.6044 100740.7662 168754.448 261345.9756 63589.68783 70332.63289 165846.2575 51526.59345 47368.70405 194039.6634 120368.7448 107582.4824 13309.06522 102764.4339 58821.97106 PE 33:1; [M-H]-@6.48 898796.3379 474804.5041 122266.1614 487505.5997 594782.3234 952124.5013 666412.7747 300829.2067 313243.7046 438100.1745 71456.05884 98936.64558 471603.7395 505517.6508 176087.9242 79628.67709 274065.5965 198510.9729 PE 34:1; [M-H]-@6.84 9139270.532 5751426.569 2459788.241 4188367.722 4653212.628 8958562.455 6590800.061 3722995.877 4186277.649 6356185.256 1258660.52 1294965.882 6511263.184 6328645.769 3691718.646 1367642.618 5238687.754 3612547.076 PE 34:3; [M-H]-@5.98 6307941.263 6107129.686 1596005.631 5130814.26 5957395.918 7367640.869 5369406.48 4671696.622 3936029.336 4828844.018 1181312.205 1141881.812 2720829.085 3474897.409 1785750.288 456485.1629 1249047.221 1367517.819 PE 34:4; [M-H]-@5.65 455025.9857 308181.0448 60508.52276 211405.3711 322423.7868 427948.0125 357548.6425 185853.23 178760.5472 279526.6148 51392.09315 49688.12929 137875.7072 158404.2832 59772.11646 24646.69232 44157.24433 64999.49786 PE 35:0; [M-H]-@7.46 312835.6232 255378.0163 174725.7928 156104.6795 230725.0035 325004.3036 200098.2766 113725.681 101382.1214 303501.6574 34969.59217 34684.5452 124508.1027 204628.7872 70416.69131 18223.29124 85366.41777 102646.0985 PE 35:1; [M-H]-@7.04 673017.9721 709588.8107 1253222.064 756695.0435 741584.941 727936.7914 1041187.354 521247.3287 459559.1425 1341340.578 252497.4417 297794.7336 821674.4951 833462.9014 680393.67 151765.3197 694237.2673 374588.4612 PE 35:3; [M-H]-@6.24 175177.9917 149944.3597 293614.9739 302039.9865 518453.8929 521649.9192 574185.9937 200341.4547 137111.6163 675419.7654 107347.6798 102975.1683 158744.8662 186502.3145 202388.5113 20356.1009 190317.0042 123066.5153 PE 35:4; [M-H]-@6.00 2190561.992 1429664.021 289645.913 1707757.932 2036209.189 3760458.047 1427837.899 909637.1932 819310.9646 1231087.361 260555.5398 227260.1517 947720.8362 1089462.896 386237.3218 117036.0194 364701.2215 434144.4222 PE 36:0; [M-H]-@7.82 137519.4609 104131.8137 40965.8043 70205.86084 90648.06827 140138.6755 121885.169 47661.37616 74938.71247 97947.56276 18527.03744 19782.02032 65147.74585 90845.21957 41283.09193 28427.35308 76705.3914 74244.27755 PE 36:3; [M-H]-@6.62 21782832.38 15485211.98 5171794.928 15476019.92 15861588.05 30858936.51 20554593.97 9894346.983 11638546.34 14984544.36 2831070.376 2980136.409 9523647.224 10744753.54 4971386.882 2546192.83 8433966.26 7047362.837 PE 37:0; [M-H]-@7.95 69399.90208 26552.3485 7625.65978 35089.27618 35191.52556 58861.19279 29292.25295 6574.901336 21049.7256 14069.22848 3776.855285 5280.409902 17321.12671 27268.32231 14231.4367 8102.634618 26432.4108 18317.3965 PE 37:1; [M-H]-@7.57 866722.7061 611274.3828 170394.8717 547188.8607 581160.013 726415.4 545987.4729 295845.321 325504.944 474587.8565 83399.30489 93300.96911 515838.263 559247.0134 279857.4672 87755.25861 253256.565 206249.848 PE 37:4; [M-H]-@6.64 8006487.631 4710763.163 1506911.135 5635910.836 5989297.915 11052434.59 6006106.644 2719254.02 3183152.284 4646149.211 836354.3114 932922.461 3569021.02 4070857.063 1789250.938 843139.8034 3051976.8 2365000.801 PE 37:5; [M-H]-@6.17 1124735.487 795491.8947 195482.7782 781999.5738 882566.4231 1326341.874 964899.6662 466301.6239 498782.6461 682808.9666 130019.8974 128017.3768 610616.6558 658022.1722 275146.5649 116079.2699 316769.7492 362103.5162 PE 38:1; [M-H]-@7.87 1185965.56 711134.0284 163872.8338 482555.537 534098.7423 1108600.465 592917.5088 298042.6377 402427.4276 424120.2583 71565.34577 78087.52592 460363.6684 481950.5003 172799.976 95877.1262 346326.6938 353964.2601 PE 39:2; [M-H]-@7.70 356033.2368 222255.1911 58230.29321 202991.8413 223062.3795 442757.4296 171848.0184 90434.83946 116886.4219 135750.1947 33740.11487 29708.48087 147863.3689 159736.7776 61938.93837 16758.36332 75343.66854 63732.88198 PE 39:4; [M-H]-@7.13 1478766.874 972811.8711 237280.1284 1147678.861 1186236.664 2149433.079 944222.4178 476235.0339 506007.0167 746503.4068 145641.8395 143383.3125 674434.9951 721998.9636 283893.0241 87990.87553 525827.4862 422976.3408 PE 39:6; [M-H]-@6.60 788835.3064 462285.9311 230924.5834 458453.5688 507846.9792 904952.4176 484922.171 263493.4405 285481.2206 427070.0414 75921.18733 93644.43387 467441.1947 534353.0355 231526.6857 51841.34038 251959.8377 184920.0662 PE 40:1; [M-H]-@8.37 60284.85313 81771.38447 80740.68207 82908.75313 101884.8109 61364.48451 93418.39439 54102.90148 55554.769 102000.0699 16327.32878 22702.37533 64939.8886 71601.76569 98416.8981 18716.93007 81649.67776 65038.37169 PE 40:3; [M-H]-@7.60 1930143.524 1823591.763 430081.5767 1335769.936 1366527.705 1830373.109 1050746.489 716146.36 921462.7504 759783.1025 155482.7086 218663.8391 795732.2477 961089.6144 512008.8819 164630.1774 609147.2769 379564.0548 PE 40:4; [M-H]-@7.49 3679562.874 2740796.591 738939.2358 2303045.495 2426779.187 4106205.247 2847816.871 1295379.414 1460505.509 1944611.341 324366.9221 380600.0119 1761492.748 1899957.066 844718.3828 296330.6184 1352338.383 1116394.531 PE 40:6; [M-H]-@6.74 8119082.859 5904597.078 2784253.257 5218733.942 5339225.879 9149410.245 7537110.833 3370997.097 4218756.468 5274891.686 1045485.417 1038130.434 6070570.62 6911567.222 3315977.189 1183649.379 4493904.413 3439724.35 PE 41:4; [M-H]-@7.79 210607.3836 107229.9636 49324.93999 96355.28997 127156.2832 180996.1075 72741.90124 59142.28211 89483.64207 82894.8573 15758.99399 20960.73906 82680.57941 82740.47799 66895.61662 12910.06522 35223.63353 34583.23883 PE 42:4; [M-H]-@8.00 1417788.493 1065025.361 367277.5845 1181823.943 1046779.735 1581298.076 1192147.604 725828.469 857956.4397 883675.13 193947.0638 161533.6533 953787.9897 1197824.424 479235.841 172564.9504 592127.7711 587178.6802 PE 42:8; [M-H]-@6.59 642857.0444 333024.7805 177222.1307 348995.1018 350451.8948 609080.3586 419928.5648 196140.3062 299420.3109 362695.4687 49277.20912 77481.77009 369649.9616 432347.6532 133661.3495 55898.42547 209566.4269 167520.1754 PE 43:4; [M-H]-@8.31 42367.00493 60616.83482 33561.78616 44911.61703 52529.75963 57229.14985 63332.8959 39334.44672 37192.13948 62949.71256 19202.38852 14033.22552 55372.02207 89768.79202 24431.48003 10757.9788 44489.63584 32441.19828 PE 44:2; [M-H]-@8.79 73640.40179 44113.10509 6251.296316 35155.10351 49070.84689 90879.05461 45647.73053 30713.50592 41308.42246 36012.89552 2842.631527 9017.468706 40534.09401 26693.88965 26886.68354 8948.701064 19256.86075 27106.81011 PG 32:1; [M-H]-@5.31 180311.2293 99313.42457 15894.89634 58112.41991 45789.14065 124331.7776 94795.22445 71640.83254 74159.68525 61509.5664 10875.66836 10020.38133 49494.26266 43406.19828 31591.35217 33358.68401 71870.05068 94765.8285 PG 34:1; [M-H]-@5.86 13850927.24 8251964.376 1744828.718 4888670.328 8905983.453 15078827.99 7429871.091 5950097.284 5874879.892 4179527.823 990878.071 928494.179 9789777.472 8269386.796 3978157.918 4299330.338 12902878.15 17479076.33 PG 34:2; [M-H]-@5.28 1417190.691 589880.3244 129806.4583 625495.9189 615106.7908 1356788.094 692919.7063 533334.3876 437720.6156 483419.5737 60924.74956 55795.53505 537840.5034 433938.3055 223957.3207 166174.5272 513991.1429 403812.5014 PG 34:3; [M-H]-@4.76 289224.9944 260057.4258 42779.77729 245508.1101 228497.4974 507998.5919 275980.8391 139092.1193 178323.1739 155557.0608 32059.68509 30189.14751 207488.1373 200327.704 114694.6861 33779.0843 180079.5133 141900.69 PG 35:2; [M-H]-@5.51 313328.9743 194714.9451 33816.49059 202872.556 238474.7522 488429.2773 209360.4423 115520.4982 152397.8106 97333.39304 15566.92066 19779.45155 317554.5654 269312.8399 88839.3989 40283.01358 125084.4841 167888.6976 PG 36:1; [M-H]-@6.58 756516.1442 401789.5443 99249.98996 315265.7939 406079.2549 803047.3537 451586.023 263389.8829 344296.8299 156161.0196 38078.62939 54557.49384 444342.7299 351513.2815 240876.3927 128166.6792 399423.8259 341134.2933 PG 36:2; [M-H]-@5.94 5614606.177 4437059.624 1752621.717 3838259.955 4304999.379 7138022.064 3860370 2902015.32 3222282.84 2246231.714 484401.734 556397.9955 5712619.783 7043560.063 3424737.709 1716055.187 5518045.139 3703481.062 PG 36:3; [M-H]-@5.37 593131.2897 803324.8805 990044.2005 702181.0135 665418.6037 755922.0245 1208279.414 714010.9638 598330.6551 792289.8852 124449.4671 191359.421 674167.8064 820463.6865 621908.4197 220130.6788 859506.6497 563047.5791 PG 36:4; [M-H]-@5.10 102123.7519 123813.7707 176339.5805 152587.4266 111859.313 167349.7341 172665.8881 114254.5961 59045.24313 117263.4757 27195.00506 38622.07712 97304.13788 111123.393 90819.39596 18125.03476 142664.0005 76839.4024 PG 38:2; [M-H]-@6.31 431560.6077 307531.4063 54838.83019 244143.9372 360321.9453 560322.915 264049.1529 139786.6387 159167.0818 135780.4348 24059.77702 17197.62931 311367.0509 251975.1113 145595.1061 79215.49438 391074.9004 246714.9217 PG 38:3; [M-H]-@5.91 2732909.971 1946566.523 609616.8412 1990221.022 2399123.622 4566035.344 2278205.822 1162281.774 1299563.617 1020181.652 209772.9918 214443.8332 2533113.373 2324878.446 972562.4137 490882.5673 1884935.313 1695449.173 PG 38:4; [M-H]-@6.06 194043.1432 135409.6042 46728.26635 148851.9279 180897.6229 237837.7034 117606.9717 93471.38195 106091.307 84936.88175 22522.94712 19163.25059 241720.7157 165798.7095 96784.63536 34541.66954 98923.94602 93959.48073 PG 38:5; [M-H]-@5.32 760836.1318 543969.0248 146321.9063 648443.6968 732038.513 1400721.387 784156.1942 413649.1992 478568.7361 303858.6229 47905.21429 60036.77526 832245.571 841397.6263 308210.4233 126565.1864 560256.8595 447477.1856 PG 38:6; [M-H]-@5.02 217501.5463 175510.8666 26872.32058 175645.6161 198701.0872 241523.4001 149528.7576 78409.99186 104872.3064 53643.42617 12859.00966 14617.31471 136209.3402 131337.7036 72119.56137 40681.33028 165796.2613 116320.3892 PG 38:7; [M-H]-@4.56 202977.3749 143643.4998 21180.04034 113911.7071 158963.1417 208542.7892 144012.7043 72136.96672 99209.46711 76025.63367 7543.86377 11624.03906 95184.82464 86593.66311 32843.86214 32635.34209 204564.5853 162171.641 PG 39:6; [M-H]-@5.30 59378.78152 73337.25856 45055.30091 80218.18182 89429.08564 93869.48909 60484.63394 38469.20553 46994.59908 91722.54672 10476.49991 16846.65964 65525.96477 82371.44303 55785.39927 25146.98319 88891.98945 44760.30542 PG 40:5; [M-H]-@5.94 1272872.708 936445.496 266766.6935 1020717.233 1344447.983 2362893.905 1021071.011 622547.5068 539355.6877 570683.1233 125596.5717 132165.2117 1338280.49 1285059.66 612098.678 239423.6446 560062.4544 769372.31 PG 40:6; [M-H]-@5.56 2928989.178 1909125.762 632145.0423 1799429.188 1629106.956 2726194.359 2056526.495 979230.8918 1090064.644 1433675.194 201897.3951 156139.2765 2690345.119 2505951.223 693301.0259 255136.9515 2058281.912 2517419.919 PG 40:7; [M-H]-@5.18 3273385.166 2243361.363 754977.2364 2176531.819 2254322.426 3126215.123 2125413.833 1718714.296 1831693.385 1047260.697 219726.0302 268221.2805 2249231.722 2337020.272 1296090.704 1225723.747 4021791.546 2983678.636 PG 40:8; [M-H]-@4.80 239744.7413 181762.7958 27827.09652 129535.2692 190531.1916 348382.8237 155699.2401 88381.41916 109354.1624 83161.01203 12256.99451 16097.33565 139208.2582 135954.7474 45372.97381 39987.03917 248637.719 195136.7803 PG 42:10; [M-H]-@4.78 113729.5762 70829.2469 14664.55222 85928.1077 101535.9075 150370.0389 77743.42724 43171.80929 63382.48781 32439.61936 5612.375042 9597.223957 82498.96928 70529.79215 32652.10882 20968.55054 157409.4668 106877.2671 PG 42:7; [M-H]-@5.78 173745.4802 148390.258 187636.8304 174911.9113 198893.8349 236353.2216 229670.258 107319.0406 97749.76515 142864.9429 40359.40923 43586.7385 152773.1369 195187.614 155317.1717 76239.42642 182096.4076 137244.1258 PG 42:8; [M-H]-@5.40 266926.3861 282501.6577 418786.1386 265809.0513 307584.9445 308163.0247 512962.7047 281049.1767 254871.894 254976.4259 62764.85051 70112.45411 296978.7194 340654.5799 229579.5756 107721.1761 504380.516 327316.0579 PG 42:9; [M-H]-@5.05 324163.59 226975.9383 70227.94843 276225.3149 258799.8993 369803.1713 214812.0954 135743.1546 164803.9898 99999.13987 25158.22806 25717.65858 262263.1118 258613.1742 125922.9729 68052.22705 265038.5939 158651.2584 PG 44:10; [M-H]-@5.45 219818.0975 157768.695 54618.52924 157444.4798 190104.3968 185022.7824 140098.7317 110667.2427 130076.9423 70491.79796 9972.467553 11954.90261 146413.664 142337.1925 77708.26702 56762.35288 235185.1781 174609.1414 PG 44:11; [M-H]-@5.04 208791.4148 208032.6653 126028.7434 161070.0708 171121.2972 172001.4904 224704.9276 97208.66631 98980.62417 82862.175 23435.73447 31450.32904 170392.1075 209430.6808 140522.5196 119536.3693 538113.6273 383098.5189 PG 44:12; [M-H]-@4.64 562691.1035 265664.2394 62524.25557 253770.2242 342464.1357 476405.6025 339999.488 226388.288 250105.7092 170151.7337 21468.76391 21318.40807 235878.5323 253665.0717 95707.96365 203065.4473 1204634.442 1030413.642 PI 36:2; [M-H]-@5.95 2768078.664 1223043.768 138972.818 755184.8375 1151820.613 2093248.958 798998.9846 599436.0474 804952.6771 351567.0571 126523.7691 89212.99252 1208644.75 962241.1627 572299.0971 306415.1149 540819.6316 571003.1078 PI 36:3; [M-H]-@5.78 1439621.579 510581.8758 39508.41136 549642.5758 491137.8697 1295501.879 360372.2103 221284.1284 298583.9262 167618.8912 51272.06927 25513.64861 372699.9089 329152.1057 316891.2461 95326.56167 110150.8966 175392.8869 PI 36:4; [M-H]-@5.37 400841.2512 128726.4712 6032.966852 142446.6416 139100.4355 370346.4269 127159.7969 65701.19275 127822.0071 52750.16577 11641.3714 10752.27356 148441.9899 105362.9688 79308.46866 36947.36381 56569.60077 74926.04541 PI 38:3; [M-H]-@6.35 11549433.85 3833322.332 370990.7823 4859809.598 5021836.792 13138737.69 3880657.45 2053020.625 3280622.881 948959.5435 298193.3124 280961.141 3633356.367 2801025.354 2016638.376 866218.1463 1851704.971 2137339.94 PI 38:4; [M-H]-@5.93 30525950.05 7096812.205 652588.6328 6323391.071 7684395.015 19036246.62 5007542.163 4386902.517 5528348.062 2722199.118 993372.6 622529.6701 11464210.31 8264174.865 5622943.843 2630997.449 4486815.929 4875221.413 PI 38:5; [M-H]-@5.46 952815.8453 345372.6724 32485.5409 199924.9687 208814.6057 422084.5112 291742.295 197598.7097 249719.5031 139352.755 28347.71576 29224.098 356582.9992 328103.1711 210868.3164 105747.8381 153076.3282 171415.7988 PI 40:5; [M-H]-@6.07 115052.4893 125153.8623 49264.83399 81021.92455 91326.23689 75830.9574 88771.59055 71954.35461 48364.90257 89221.74207 24218.13261 17665.88056 80270.00836 92969.09888 104922.657 73507.68359 93909.58923 54890.98962 PS 32:1; [M-H]-@5.25 184159.239 131843.6063 12733.53463 56086.36906 56545.7039 121542.7851 60517.5387 42262.75556 76757.33689 33805.19916 8957.684083 8957.974833 53515.66654 44509.85421 33155.95386 28796.16837 54824.02974 41540.32547 PS 34:1; [M-H]-@5.93 4625581.35 1898079.072 190825.9312 1265871.512 1810867.293 4002064.493 1402529.956 1119324.485 1413943.56 870241.6074 234491.2724 210213.8868 1668566.406 1295623.817 851645.3226 360831.9686 817114.4429 931392.5658 PS 34:2; [M-H]-@5.34 300650.5282 99957.53748 25404.3629 76596.17633 93035.5956 140378.2837 97654.72668 93957.66556 108317.3131 73492.56642 12930.45183 21114.31727 70349.88393 60829.87412 69097.2853 43111.37051 54671.33841 52941.33902 PS 36:1; [M-H]-@6.55 2617933.021 1134630.39 590500.1773 1260686.273 1178003.082 2266380.43 1719038.89 872492.5134 1271172.889 992574.4348 222876.3143 283653.3199 1390657.614 1331947.002 1132424.546 593323.2493 2498766.835 1173711.86 PS 36:4; [M-H]-@5.43 143127.9357 85386.74589 20666.25066 59196.76992 84960.01945 136477.6978 69482.092 41927.5422 44346.02442 39571.26191 8265.583828 9252.237818 70050.90267 67840.84187 37203.16599 31653.42764 53650.14991 41098.03331 PS 38:3; [M-H]-@6.40 3403886.993 1890822.4 218090.1716 1874157.725 2030204.336 4425845.451 1233629.624 1002719.761 934275.378 703945.1551 145566.0344 205023.0174 1059041.575 790499.0746 322426.0175 336111.7167 435354.494 578828.1547 PS 38:4; [M-H]-@6.02 13743772.92 4128467.39 284712.966 4047768.641 5670772.588 14528953.09 2759825.916 2194486.599 2427516.105 1315896.092 363860.7722 270336.7574 2585501.078 1781353.75 1024070.014 893157.8016 1674602.87 2446264.773 PS 38:5; [M-H]-@5.61 1852122.19 545316.5667 146770.6388 392071.164 413091.9497 790021.7509 447608.9576 342684.45 389869.8249 549175.7989 107623.1699 71752.12161 436943.4418 374881.8222 156604.8213 69373.53103 432987.5029 452183.6625 PS 39:3; [M-H]-@6.70 261325.0092 150201.7303 30283.2785 176485.9914 205360.121 243217.0263 74884.74884 99742.23449 61191.81221 124962.2633 12480.70091 15102.29701 145246.1776 84545.0726 40439.28258 2204.994668 90031.91763 72354.70036 PS 40:4; [M-H]-@6.49 512982.8938 207650.6056 29989.52015 179358.5786 253622.5706 613469.4301 147873.8627 133789.7217 133211.7378 71728.39677 18009.02691 29331.17729 203913.6483 177961.6886 83521.11258 30663.80533 92733.32178 105445.2063 PS 40:6; [M-H]-@6.00 11371544.57 3584280.77 182522.102 2085047.876 3842388.67 7939588.808 1947637.988 1500271.746 1736693.693 1315328.269 383168.597 352570.8214 3502946.486 2674396.421 1353644.743 239751.9056 573625.2456 718359.9718 PS 40:7; [M-H]-@5.43 296700.8047 104538.0918 17818.52782 104273.6156 106294.8896 197461.5498 149087.2075 80295.78706 68920.97369 70277.52736 22225.96996 13494.31758 103257.8782 92036.85438 65243.53324 17910.07895 56148.55898 50842.14653 lysoPE 16:0; [M-H]-@1.67 168695.4712 96904.77288 22416.76546 92239.06323 91204.53493 168844.1259 101647.6786 48583.5044 60865.68738 59104.79571 9825.318032 10229.22012 71313.97498 58354.98074 23761.44572 18611.02117 52579.84898 45766.77761 lysoPE 18:0; [M-H]-@2.46 203186.4419 260708.9118 207768.2016 255597.7185 268492.04 255094.9655 283987.1627 132521.9162 156504.3161 255335.7181 40664.74134 59800.03037 138254.2136 146842.2984 141310.563 67047.00352 180487.9967 121719.4892 lysoPE 18:1; [M-H]-@1.82 609827.2355 380720.658 76239.0853 318597.2409 305351.1545 690064.1567 441238.8772 181113.4274 243357.0356 372001.9569 45522.37858 56864.55136 350612.2459 318103.6164 150333.5156 86816.55544 317304.4046 222512.0275 lysoPE 20:3; [M-H]-@1.72 34335.09004 56217.08416 34177.52492 46890.91443 65559.79606 55887.29479 66234.39498 36449.13586 33069.87392 115358.9493 18985.11124 22854.559 13619.82326 21808.15 17866.24804 12032.61188 41195.59812 15192.31333 lysoPE 20:4; [M-H]-@1.31 116651.2327 78824.2751 30581.91676 57995.53381 71780.20736 122034.3405 100301.4137 48033.8304 47088.82484 102486.3167 14283.09417 12816.27972 55267.23977 57696.89872 29698.27766 23165.64975 56035.24248 57762.63478 lysoPE 22:6; [M-H]-@1.29 28079.7056 23044.00017 14030.74803 27503.59376 27912.94703 38458.42194 28956.53868 11545.78117 21005.04543 26079.99591 3615.586491 6568.269913 21186.2446 22030.25715 20005.43061 4788.376636 18234.67488 9927.894425 plasmenyl-PE 32:1; [M-H]-@6.60 93328.85657 148524.9159 125307.5088 80815.80456 86992.77947 69063.0613 94115.42941 75212.07127 81726.54976 140026.3111 20638.19519 35297.5771 86817.12944 105880.8552 94130.16864 64914.1115 115366.3673 52870.75649 plasmenyl-PE 34:1; [M-H]-@7.16 676190.39 711961.6321 147298.8516 399520.6727 474475.1341 511615.6644 461595.0016 293708.5932 251510.9269 277164.208 65920.65269 96850.78906 211398.4442 260600.3975 182692.439 175561.3683 401743.5551 273960.0802 plasmenyl-PE 34:2; [M-H]-@6.70 239340.5744 161910.2357 79271.95389 142806.7376 118746.6688 179767.2421 197526.4958 86238.9265 123144.036 104159.6227 25173.12563 35620.79549 76567.43219 84421.72031 57616.7679 81923.80012 286421.8153 127503.4831 plasmenyl-PE 36:1; [M-H]-@7.69 1434367.035 1282395.449 227626.0231 323634.5185 679291.5754 445026.7155 972417.976 290567.8663 409791.4926 638497.4735 107512.6676 183647.3539 590572.2923 905963.4542 470384.4026 229140.2353 774914.0554 581464.2191 plasmenyl-PE 36:2; [M-H]-@7.28 350488.5481 701753.8413 1115225.057 249332.5893 328994.3625 284284.8221 688687.7174 344453.264 330711.7823 885063.1695 137426.3664 243958.8792 246828.0442 400043.5558 375328.7922 252056.7254 1049243.144 450751.6453 plasmenyl-PE 36:4; [M-H]-@6.65 1333216.261 983434.4575 438359.7054 745017.6147 724670.1336 1206997.85 1095738.285 494325.615 628332.6048 1062880.877 192138.7926 190198.7474 1012087.171 1245560.204 605550.8492 381143.7428 1461706.943 1025440.924 plasmenyl-PE 36:5; [M-H]-@6.29 65751.13124 42970.54527 35707.24505 47624.63317 58401.1547 63972.09496 73573.51011 36894.33931 59059.78039 57990.27705 13789.72927 14641.2917 72246.92214 70895.86888 40047.64157 34900.58138 154916.9271 57624.47688 plasmenyl-PE 38:1; [M-H]-@8.17 504218.7864 488661.4126 225238.7405 310302.9847 283321.6835 408713.1306 347622.3249 266450.4012 286185.904 298530.5598 56044.00379 79209.063 384471.9551 543531.974 248762.986 73755.22358 330954.0101 241574.0819 plasmenyl-PE 38:2; [M-H]-@7.86 205964.5826 195723.6719 272025.1034 179432.2529 185781.1984 168069.3266 186648.5266 165331.6246 156150.2032 355278.3449 63878.21617 103487.0985 92168.63766 109256.9689 104764.1596 57284.66144 207972.1086 130993.7081 plasmenyl-PE 38:4; [M-H]-@7.23 1320360.068 1002253.204 351447.7923 803077.3473 913614.8847 1064624.501 749218.0556 600515.3 567629.3664 679050.082 133511.9391 168042.6361 652042.283 727883.844 429442.7209 151380.0384 695991.1678 440119.3754 plasmenyl-PE 38:5; [M-H]-@6.74 417003.985 358738.4609 247154.694 232566.8156 252920.7764 355835.4424 323478.6107 218686.7816 220240.7812 323689.9668 87588.63979 74308.77547 363180.4143 423325.6037 342183.4104 133101.7083 370655.8488 219632.686 plasmenyl-PE 40:4; [M-H]-@7.78 711948.9703 710819.1547 259304.2949 408902.5416 438830.7518 610106.0589 482115.5328 343781.2431 405874.696 491449.8584 84810.13541 120514.2191 457552.1386 505981.1929 258085.1487 93993.17204 340617.4857 228751.1034 plasmenyl-PE 40:5; [M-H]-@7.48 96163.24983 89520.34591 265818.0671 77552.15356 47824.88471 98612.42517 119128.2739 41080.611 76029.0728 286554.9789 34865.27622 32475.97773 108517.3812 123552.9701 84449.99896 22561.30472 165129.6602 56434.96492 plasmenyl-PE 40:6; [M-H]-@7.19 154365.5784 208624.0533 512617.3933 154397.085 148615.095 171873.0339 234647.4937 171032.6263 126834.7332 376999.2825 78210.48719 95778.06574 200884.6051 218910.2687 146910.4843 52795.86682 241029.9468 166029.3281 plasmenyl-PE 42:5; [M-H]-@7.95 407368.536 218021.5098 82828.35147 183236.4216 120484.8044 377849.3585 279608.2695 130344.6783 160695.2457 158670.0205 30723.62657 38353.43383 188081.4745 271679.2018 92612.74542 51361.55375 171265.3255 123106.531 plasmenyl-PE 42:6; [M-H]-@7.72 357062.1004 216607.8207 107334.6373 164368.6979 138060.4021 241829.6459 277058.9027 86345.71552 164419.0766 234415.6466 58253.86239 45639.54935 177293.8548 300678.2811 62981.64151 36759.98083 129280.902 108980.3644 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 66:4; [M-2H](2-)@9.01 9.01 CL 68:3; [M-2H](2-)@9.44 9.44 CL(68:3) LipidMaps Bulk ID CL 68:4; [M-2H](2-)@9.26 9.26 CL(68:4) LipidMaps Bulk ID CL 70:3; [M-2H](2-)@9.68 9.68 CL(70:3) LipidMaps Bulk ID CL 70:4; [M-2H](2-)@9.49 9.49 CL(70:4) LipidMaps Bulk ID CL 70:5; [M-2H](2-)@9.31 9.31 CL(70:5) LipidMaps Bulk ID CL 72:4; [M-2H](2-)@9.71 9.71 CL(72:4) LipidMaps Bulk ID CL 72:5; [M-2H](2-)@9.56 9.56 CL(72:5) LipidMaps Bulk ID CL 74:7; [M-2H](2-)@6.05 6.05 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(24:1) FA(24:1) LipidMaps Bulk ID FFA(24:2) FA(24:2) LipidMaps Bulk ID FFA(24:3) 52921854 LMFA01030902 LipidMaps N-(15Z-tetracosenoyl)-sphing-4-enine; [M-H]-@8.46 8.46 5283568 N-(hexadecanoyl)-sphing-4-enine; [M-H]-@6.82 6.82 5283564 N-(hexadecanoyl)-sphinganine; [M-H]-@7.07 7.07 5283572 N-(octadecanoyl)-sphing-4-enine; [M-H]-@7.44 7.44 5283565 PA 34:1; [M-H]-@5.79 5.79 PA(34:1) LipidMaps Bulk ID PC 26:0; [M-Ac-H]-@4.44 4.44 PC(26:0) LipidMaps Bulk ID PC 28:0; [M-Ac-H]-@5.19 5.19 PC(28:0) LipidMaps Bulk ID PC 28:1; [M-Ac-H]-@4.69 4.69 PC(28:1) LipidMaps Bulk ID PC 29:0; [M-Ac-H]-@5.47 5.47 PC(29:0) LipidMaps Bulk ID PC 30:0; [M-Ac-H]-@5.88 5.88 PC(30:0) LipidMaps Bulk ID PC 30:1; [M-Ac-H]-@5.37 5.37 PC(30:1) LipidMaps Bulk ID PC 30:2; [M-Ac-H]-@4.92 4.92 PC(30:2) LipidMaps Bulk ID PC 31:0; [M-Ac-H]-@6.14 6.14 PC(31:0) LipidMaps Bulk ID PC 31:1; [M-Ac-H]-@5.63 5.63 PC(31:1) LipidMaps Bulk ID PC 32:1; [M-Ac-H]-@6.00 6 PC(32:1) LipidMaps Bulk ID PC 32:2; [M-Ac-H]-@5.57 5.57 PC(32:2) LipidMaps Bulk ID PC 32:3; [M-Ac-H]-@5.27 5.27 PC(32:3) LipidMaps Bulk ID PC 33:0; [M-Ac-H]-@6.73 6.73 PC(33:0) LipidMaps Bulk ID PC 33:1; [M-Ac-H]-@6.30 6.3 PC(33:1) LipidMaps Bulk ID PC 33:2; [M-Ac-H]-@5.93 5.93 PC(33:2) LipidMaps Bulk ID PC 34:1; [M-Ac-H]-@6.59 6.59 PC(34:1) LipidMaps Bulk ID PC 34:2; [M-Ac-H]-@6.18 6.18 PC(34:2) LipidMaps Bulk ID PC 34:3; [M-Ac-H]-@5.79 5.79 PC(34:3) LipidMaps Bulk ID PC 34:4; [M-Ac-H]-@5.50 5.5 PC(34:4) LipidMaps Bulk ID PC 35:0; [M-Ac-H]-@7.31 7.31 PC(35:0) LipidMaps Bulk ID PC 35:1; [M-Ac-H]-@6.88 6.88 PC(35:1) LipidMaps Bulk ID PC 35:2; [M-Ac-H]-@6.47 6.47 PC(35:2) LipidMaps Bulk ID PC 35:3; [M-Ac-H]-@6.12 6.12 PC(35:3) LipidMaps Bulk ID PC 35:4; [M-Ac-H]-@5.81 5.81 PC(35:4) LipidMaps Bulk ID PC 36:1; [M-Ac-H]-@7.16 7.16 PC(36:1) LipidMaps Bulk ID PC 36:4; [M-Ac-H]-@6.07 6.07 PC(36:4) LipidMaps Bulk ID PC 36:5; [M-Ac-H]-@5.66 5.66 PC(36:5) LipidMaps Bulk ID PC 36:6; [M-Ac-H]-@5.35 5.35 PC(36:6) LipidMaps Bulk ID PC 37:1; [M-Ac-H]-@7.41 7.41 PC(37:1) LipidMaps Bulk ID PC 37:2; [M-Ac-H]-@7.06 7.06 PC(37:2) LipidMaps Bulk ID PC 37:3; [M-Ac-H]-@6.78 6.78 PC(37:3) LipidMaps Bulk ID PC 37:4; [M-Ac-H]-@6.44 6.44 PC(37:4) LipidMaps Bulk ID PC 37:5; [M-Ac-H]-@6.00 6 PC(37:5) LipidMaps Bulk ID PC 37:6; [M-Ac-H]-@5.66 5.66 PC(37:6) 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]-@7.29 7.29 PC(38:2) LipidMaps Bulk ID PC 38:3; [M-Ac-H]-@7.01 7.01 PC(38:3) LipidMaps Bulk ID PC 38:4; [M-Ac-H]-@6.68 6.68 PC(38:4) LipidMaps Bulk ID PC 38:5; [M-Ac-H]-@6.30 6.3 PC(38:5) LipidMaps Bulk ID PC 38:7; [M-Ac-H]-@5.55 5.55 PC(38:7) LipidMaps Bulk ID PC 39:2; [M-Ac-H]-@7.57 7.57 PC(39:2) LipidMaps Bulk ID PC 39:3; [M-Ac-H]-@7.39 7.39 PC(39:3) LipidMaps Bulk ID PC 39:6; [M-Ac-H]-@6.30 6.3 PC(39:6) LipidMaps Bulk ID PC 40:0; [M-Ac-H]-@8.66 8.66 PC(40:0) LipidMaps Bulk ID PC 40:1; [M-Ac-H]-@8.22 8.22 PC(40:1) LipidMaps Bulk ID PC 40:2; [M-Ac-H]-@7.83 7.83 PC(40:2) LipidMaps Bulk ID PC 40:3; [M-Ac-H]-@7.48 7.48 PC(40:3) LipidMaps Bulk ID PC 40:4; [M-Ac-H]-@7.17 7.17 PC(40:4) LipidMaps Bulk ID PC 40:5; [M-Ac-H]-@6.90 6.9 PC(40:5) LipidMaps Bulk ID PC 40:6; [M-Ac-H]-@6.55 6.55 PC(40:6) LipidMaps Bulk ID PC 40:7; [M-Ac-H]-@6.18 6.18 PC(40:7) LipidMaps Bulk ID PC 42:1; [M-Ac-H]-@8.71 8.71 PC(42:1) LipidMaps Bulk ID PC 42:2; [M-Ac-H]-@8.30 8.3 PC(42:2) LipidMaps Bulk ID PC 42:4; [M-Ac-H]-@7.66 7.66 PC(42:4) LipidMaps Bulk ID PC 42:5; [M-Ac-H]-@7.37 7.37 PC(42:5) LipidMaps Bulk ID PC 42:6; [M-Ac-H]-@7.14 7.14 PC(42:6) LipidMaps Bulk ID PC 42:7; [M-Ac-H]-@6.75 6.75 PC(42:7) LipidMaps Bulk ID PC 42:9; [M-Ac-H]-@6.11 6.11 PC(42:9) LipidMaps Bulk ID PC 44:1; [M-Ac-H]-@9.15 9.15 PC(44:1) LipidMaps Bulk ID PC 44:2; [M-Ac-H]-@8.74 8.74 PC(44:2) LipidMaps Bulk ID PC 44:3; [M-Ac-H]-@8.39 8.39 PC(44:3) LipidMaps Bulk ID PC 46:5; [M-Ac-H]-@8.32 8.32 PC 46:5 LipidBLAST PE 30:0; [M-H]-@6.04 6.04 PE(30:0) LipidMaps Bulk ID PE 31:1; [M-H]-@5.94 5.94 PE(31:1) LipidMaps Bulk ID PE 32:0; [M-H]-@6.73 6.73 PE(32:0) LipidMaps Bulk ID PE 32:1; [M-H]-@6.21 6.21 PE(32:1) LipidMaps Bulk ID PE 33:0; [M-H]-@6.89 6.89 PE(33:0) LipidMaps Bulk ID PE 33:1; [M-H]-@6.48 6.48 PE(33:1) LipidMaps Bulk ID PE 34:1; [M-H]-@6.84 6.84 PE(34:1) LipidMaps Bulk ID PE 34:3; [M-H]-@5.98 5.98 PE(34:3) LipidMaps Bulk ID PE 34:4; [M-H]-@5.65 5.65 PE(34:4) LipidMaps Bulk ID PE 35:0; [M-H]-@7.46 7.46 PE(35:0) LipidMaps Bulk ID PE 35:1; [M-H]-@7.04 7.04 PE(35:1) LipidMaps Bulk ID PE 35:3; [M-H]-@6.24 6.24 PE(35:3) LipidMaps Bulk ID PE 35:4; [M-H]-@6.00 6 PE(35:4) LipidMaps Bulk ID PE 36:0; [M-H]-@7.82 7.82 PE(36:0) LipidMaps Bulk ID PE 36:3; [M-H]-@6.62 6.62 PE(36:3) LipidMaps Bulk ID PE 37:0; [M-H]-@7.95 7.95 PE(37:0) LipidMaps Bulk ID PE 37:1; [M-H]-@7.57 7.57 PE(37:1) LipidMaps Bulk ID PE 37:4; [M-H]-@6.64 6.64 PE(37:4) LipidMaps Bulk ID PE 37:5; [M-H]-@6.17 6.17 PE(37:5) LipidMaps Bulk ID PE 38:1; [M-H]-@7.87 7.87 PE(38:1) LipidMaps Bulk ID PE 39:2; [M-H]-@7.70 7.7 PE(39:2) LipidMaps Bulk ID PE 39:4; [M-H]-@7.13 7.13 PE(39:4) LipidMaps Bulk ID PE 39:6; [M-H]-@6.60 6.6 PE(39:6) LipidMaps Bulk ID PE 40:1; [M-H]-@8.37 8.37 PE(40:1) LipidMaps Bulk ID PE 40:3; [M-H]-@7.60 7.6 PE(40:3) LipidMaps Bulk ID PE 40:4; [M-H]-@7.49 7.49 PE(40:4) LipidMaps Bulk ID PE 40:6; [M-H]-@6.74 6.74 PE(40:6) LipidMaps Bulk ID PE 41:4; [M-H]-@7.79 7.79 PE(41:4) LipidMaps Bulk ID PE 42:4; [M-H]-@8.00 8 PE(42:4) LipidMaps Bulk ID PE 42:8; [M-H]-@6.59 6.59 PE(42:8) LipidMaps Bulk ID PE 43:4; [M-H]-@8.31 8.31 PE(43:4) LipidMaps Bulk ID PE 44:2; [M-H]-@8.79 8.79 PE(44:2) LipidMaps Bulk ID PG 32:1; [M-H]-@5.31 5.31 PG(32:1) LipidMaps Bulk ID PG 34:1; [M-H]-@5.86 5.86 PG(34:1) LipidMaps Bulk ID PG 34:2; [M-H]-@5.28 5.28 PG(34:2) LipidMaps Bulk ID PG 34:3; [M-H]-@4.76 4.76 PG(34:3) LipidMaps Bulk ID PG 35:2; [M-H]-@5.51 5.51 PG(35:2) LipidMaps Bulk ID PG 36:1; [M-H]-@6.58 6.58 PG(36:1) LipidMaps Bulk ID PG 36:2; [M-H]-@5.94 5.94 PG(36:2) LipidMaps Bulk ID PG 36:3; [M-H]-@5.37 5.37 PG(36:3) LipidMaps Bulk ID PG 36:4; [M-H]-@5.10 5.1 PG(36:4) LipidMaps Bulk ID PG 38:2; [M-H]-@6.31 6.31 PG(38:2) LipidMaps Bulk ID PG 38:3; [M-H]-@5.91 5.91 PG(38:3) LipidMaps Bulk ID PG 38:4; [M-H]-@6.06 6.06 PG(38:4) LipidMaps Bulk ID PG 38:5; [M-H]-@5.32 5.32 PG(38:5) LipidMaps Bulk ID PG 38:6; [M-H]-@5.02 5.02 PG(38:6) LipidMaps Bulk ID PG 38:7; [M-H]-@4.56 4.56 PG(38:7) LipidMaps Bulk ID PG 39:6; [M-H]-@5.30 5.3 PG(39:6) LipidMaps Bulk ID PG 40:5; [M-H]-@5.94 5.94 PG(40:5) LipidMaps Bulk ID PG 40:6; [M-H]-@5.56 5.56 PG(40:6) LipidMaps Bulk ID PG 40:7; [M-H]-@5.18 5.18 PG(40:7) LipidMaps Bulk ID PG 40:8; [M-H]-@4.80 4.8 PG(40:8) LipidMaps Bulk ID PG 42:10; [M-H]-@4.78 4.78 PG(42:10) LipidMaps Bulk ID PG 42:7; [M-H]-@5.78 5.78 PG(42:7) LipidMaps Bulk ID PG 42:8; [M-H]-@5.40 5.4 PG(42:8) LipidMaps Bulk ID PG 42:9; [M-H]-@5.05 5.05 PG(42:9) LipidMaps Bulk ID PG 44:10; [M-H]-@5.45 5.45 PG(44:10) LipidMaps Bulk ID PG 44:11; [M-H]-@5.04 5.04 PG 44:11 LipidBLAST PG 44:12; [M-H]-@4.64 4.64 52927240 LMGP04010977 LipidMaps PI 36:2; [M-H]-@5.95 5.95 PI(36:2) LipidMaps Bulk ID PI 36:3; [M-H]-@5.78 5.78 PI(36:3) LipidMaps Bulk ID PI 36:4; [M-H]-@5.37 5.37 PI(36:4) LipidMaps Bulk ID PI 38:3; [M-H]-@6.35 6.35 PI(38:3) LipidMaps Bulk ID PI 38:4; [M-H]-@5.93 5.93 PI(38:4) LipidMaps Bulk ID PI 38:5; [M-H]-@5.46 5.46 PI(38:5) LipidMaps Bulk ID PI 40:5; [M-H]-@6.07 6.07 PI(40:5) LipidMaps Bulk ID PS 32:1; [M-H]-@5.25 5.25 PS(32:1) LipidMaps Bulk ID PS 34:1; [M-H]-@5.93 5.93 PS(34:1) LipidMaps Bulk ID PS 34:2; [M-H]-@5.34 5.34 PS(34:2) LipidMaps Bulk ID PS 36:1; [M-H]-@6.55 6.55 PS(36:1) LipidMaps Bulk ID PS 36:4; [M-H]-@5.43 5.43 PS(36:4) LipidMaps Bulk ID PS 38:3; [M-H]-@6.40 6.4 PS(38:3) LipidMaps Bulk ID PS 38:4; [M-H]-@6.02 6.02 PS(38:4) LipidMaps Bulk ID PS 38:5; [M-H]-@5.61 5.61 PS(38:5) LipidMaps Bulk ID PS 39:3; [M-H]-@6.70 6.7 PS(39:3) LipidMaps Bulk ID PS 40:4; [M-H]-@6.49 6.49 PS(40:4) LipidMaps Bulk ID PS 40:6; [M-H]-@6.00 6 PS(40:6) LipidMaps Bulk ID PS 40:7; [M-H]-@5.43 5.43 PS(40:7) LipidMaps Bulk ID lysoPE 16:0; [M-H]-@1.67 1.67 LPE(16:0) LipidMaps Bulk ID lysoPE 18:0; [M-H]-@2.46 2.46 LPE(18:0) LipidMaps Bulk ID lysoPE 18:1; [M-H]-@1.82 1.82 LPE(18:1) LipidMaps Bulk ID lysoPE 20:3; [M-H]-@1.72 1.72 LPE(20:3) LipidMaps Bulk ID lysoPE 20:4; [M-H]-@1.31 1.31 LPE(20:4) LipidMaps Bulk ID lysoPE 22:6; [M-H]-@1.29 1.29 LPE(22:6) LipidMaps Bulk ID plasmenyl-PE 32:1; [M-H]-@6.60 6.6 PE(P-32:1) LipidMaps Bulk ID plasmenyl-PE 34:1; [M-H]-@7.16 7.16 PE(P-34:1) LipidMaps Bulk ID plasmenyl-PE 34:2; [M-H]-@6.70 6.7 PE(P-34:2) LipidMaps Bulk ID plasmenyl-PE 36:1; [M-H]-@7.69 7.69 PE(P-36:1) LipidMaps Bulk ID plasmenyl-PE 36:2; [M-H]-@7.28 7.28 PE(P-36:2) LipidMaps Bulk ID plasmenyl-PE 36:4; [M-H]-@6.65 6.65 PE(P-36:4) LipidMaps Bulk ID plasmenyl-PE 36:5; [M-H]-@6.29 6.29 PE(P-36:5) LipidMaps Bulk ID plasmenyl-PE 38:1; [M-H]-@8.17 8.17 PE(P-38:1) LipidMaps Bulk ID plasmenyl-PE 38:2; [M-H]-@7.86 7.86 PE(P-38:2) LipidMaps Bulk ID plasmenyl-PE 38:4; [M-H]-@7.23 7.23 PE(P-38:4) LipidMaps Bulk ID plasmenyl-PE 38:5; [M-H]-@6.74 6.74 PE(P-38:5) LipidMaps Bulk ID plasmenyl-PE 40:4; [M-H]-@7.78 7.78 PE(P-40:4) LipidMaps Bulk ID plasmenyl-PE 40:5; [M-H]-@7.48 7.48 PE(P-40:5) LipidMaps Bulk ID plasmenyl-PE 40:6; [M-H]-@7.19 7.19 PE(P-40:6) LipidMaps Bulk ID plasmenyl-PE 42:5; [M-H]-@7.95 7.95 plasmenyl-PE 42:5 LipidBLAST plasmenyl-PE 42:6; [M-H]-@7.72 7.72 PE(P-42:6) LipidMaps Bulk ID METABOLITES_END #END