#METABOLOMICS WORKBENCH araskind_20170619_181603 DATATRACK_ID:1047 STUDY_ID:ST000743 ANALYSIS_ID:AN001161 PROJECT_ID:PR000536 VERSION 1 CREATED_ON July 3, 2017, 2:03 pm #PROJECT PR:PROJECT_TITLE Callaghan Bariatric plasma baseline PR:PROJECT_TYPE MS analysis PR:PROJECT_SUMMARY Obesity study with intervention PR:INSTITUTE University of Michigan PR:DEPARTMENT Neurology PR:LABORATORY Feldman Lab PR:LAST_NAME Feldman PR:FIRST_NAME Eva PR:ADDRESS Ann Arbor, MI PR:EMAIL efeldman@umich.edu PR:PHONE 734-763-7274 #STUDY ST:STUDY_TITLE Metabolomics of bariatric weight loss ST:STUDY_TYPE MS analysis ST:STUDY_SUMMARY Human patients were enrolled in a bariatric weight loss clinic and followed. ST:STUDY_SUMMARY Patients were male and female, normoglycemic,pre-diabetic and diabetic and with ST:STUDY_SUMMARY and without neuropathy. One 500 ul aliquot will be submitted for both untargeted ST:STUDY_SUMMARY metabolomics and shotgun lipidomics. 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 7 ST:TOTAL_SUBJECTS 3 #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 SU0016133 S00025568 Gender:female | Glycemic status:diabetic | Neuropathy:Neuropathy SUBJECT_SAMPLE_FACTORS SU0016134 S00025569 Gender:male | Glycemic status:pre-diabetic | Neuropathy:no neuropathy SUBJECT_SAMPLE_FACTORS SU0016135 S00025570 Gender:female | Glycemic status:normoglycemic | Neuropathy:Neuropathy SUBJECT_SAMPLE_FACTORS SU0016133 S00025571 Gender:female | Glycemic status:diabetic | Neuropathy:no neuropathy SUBJECT_SAMPLE_FACTORS SU0016134 S00025572 Gender:male | Glycemic status:pre-diabetic | Neuropathy:Neuropathy SUBJECT_SAMPLE_FACTORS SU0016133 S00025573 Gender:female | Glycemic status:diabetic | Neuropathy:no neuropathy SUBJECT_SAMPLE_FACTORS SU0016133 S00025574 Gender:female | Glycemic status:diabetic | Neuropathy:no neuropathy SUBJECT_SAMPLE_FACTORS SU0016133 S00025575 Gender:male | Glycemic status:diabetic | Neuropathy:Neuropathy SUBJECT_SAMPLE_FACTORS SU0016133 S00025576 Gender:male | Glycemic status:diabetic | Neuropathy:no neuropathy SUBJECT_SAMPLE_FACTORS SU0016133 S00025577 Gender:female | Glycemic status:diabetic | Neuropathy:Neuropathy SUBJECT_SAMPLE_FACTORS SU0016133 S00025578 Gender:female | Glycemic status:diabetic | Neuropathy:Neuropathy SUBJECT_SAMPLE_FACTORS SU0016133 S00025579 Gender:female | Glycemic status:diabetic | Neuropathy:Neuropathy SUBJECT_SAMPLE_FACTORS SU0016133 S00025580 Gender:female | Glycemic status:diabetic | Neuropathy:no neuropathy SUBJECT_SAMPLE_FACTORS SU0016135 S00025581 Gender:female | Glycemic status:normoglycemic | Neuropathy:no neuropathy #COLLECTION CO:COLLECTION_SUMMARY - #TREATMENT TR:TREATMENT_SUMMARY - #SAMPLEPREP SP:SAMPLEPREP_SUMMARY - SP:SAMPLEPREP_PROTOCOL_FILENAME A003 - Untargeted Metabolomics.pdf #CHROMATOGRAPHY CH:CHROMATOGRAPHY_TYPE Reversed phase MS:INSTRUMENT_NAME ABI Sciex 5600+ TripleTOF CH:COLUMN_NAME Waters Acquity HSS T3 (50 x 2.1mm, 1.8um) #ANALYSIS AN:ANALYSIS_TYPE MS AN:ANALYSIS_PROTOCOL_FILE A004 - Shotgun Lipidomics.pdf #MS MS:MS_COMMENTS - MS:INSTRUMENT_NAME ABI Sciex 5600+ TripleTOF MS:INSTRUMENT_TYPE Triple TOF MS:MS_TYPE ESI MS:ION_MODE NEGATIVE #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS peak area normalized MS_METABOLITE_DATA_START Samples S00025568 S00025569 S00025570 S00025571 S00025572 S00025573 S00025574 S00025575 S00025576 S00025577 S00025578 S00025579 S00025580 S00025581 Factors Gender:female | Glycemic status:diabetic | Neuropathy:Neuropathy Gender:male | Glycemic status:pre-diabetic | Neuropathy:no neuropathy Gender:female | Glycemic status:normoglycemic | Neuropathy:Neuropathy Gender:female | Glycemic status:diabetic | Neuropathy:no neuropathy Gender:male | Glycemic status:pre-diabetic | Neuropathy:Neuropathy Gender:female | Glycemic status:diabetic | Neuropathy:no neuropathy Gender:female | Glycemic status:diabetic | Neuropathy:no neuropathy Gender:male | Glycemic status:diabetic | Neuropathy:Neuropathy Gender:male | Glycemic status:diabetic | Neuropathy:no neuropathy Gender:female | Glycemic status:diabetic | Neuropathy:Neuropathy Gender:female | Glycemic status:diabetic | Neuropathy:Neuropathy Gender:female | Glycemic status:diabetic | Neuropathy:Neuropathy Gender:female | Glycemic status:diabetic | Neuropathy:no neuropathy Gender:female | Glycemic status:normoglycemic | Neuropathy:no neuropathy CL 72:5; [M-2H](2-)@6.24 6490.447478 6034.747754 5966.409384 10833.96804 12014.16289 7982.001545 17489.02107 8339.037344 7461.304061 5561.173554 4473.670793 13759.1083 6934.013126 11003.6027 CL 74:5; [M-2H](2-)@6.55 532870.6042 229486.7967 410162.3895 630946.5021 736064.8342 476856.3592 809973.566 410471.9246 755857.4034 288561.661 276595.912 1469823.295 313606.8284 753573.0549 CL 74:7; [M-2H](2-)@6.09 464607.0927 153322.6141 725415.9703 854107.0263 471333.2923 384684.5253 879563.371 292675.8993 475611.1917 436994.7514 420756.769 686020.4215 385903.7578 470463.3776 CL 78:5; [M-2H](2-)@6.45 65924.9632 64208.33316 50798.43664 39655.03937 51405.83748 55038.23073 40854.02138 52581.78328 28228.34224 39876.49193 41986.32249 67550.67137 46568.93374 40415.97052 CL 82:15; [M-2H](2-)@5.91 36421.83703 20337.75497 48679.12118 95508.22737 52894.27859 60871.72841 90449.67299 27118.18209 27722.83481 39739.375 22091.02784 51708.31632 35537.41853 38961.39324 CerP 32:1; [M-H]-@5.13 17469.35296 14880.16431 11639.37458 10564.96331 8164.434953 7214.25148 19113.13298 5416.360365 9960.894719 8184.57275 14862.00361 7115.493601 10933.71847 10341.54639 CerP 34:1; [M-H]-@5.84 52995.47647 36212.36901 53970.75221 35851.15715 38571.49711 40117.32222 39343.79377 30900.01127 19735.70311 18651.94093 51342.06539 21336.72346 39454.15463 33493.42181 CerP 34:2; [M-H]-@5.34 43197.90055 22110.64201 29149.30496 34574.61799 18348.61158 22428.04341 27845.09932 11781.58358 24913.20359 28369.01193 35628.25296 19049.95541 16007.97237 17732.92131 FFA(16:0) 127657403.7 71538933.39 87072335.14 80547630.5 48595188.01 60369097.75 96531339.25 48778334.17 65557842.92 56224952.1 69703895.25 51601906.45 73848814.36 51574029.67 FFA(18:0) 111689088.4 67275972.44 63957074.14 67550138.05 47549436.94 54194176.37 90520604.75 47690925.57 66478833.72 53907164.61 62436700.05 46715394.28 56546108.1 47549131.94 FFA(18:1) 89699929.31 64840957.8 134720124.7 76214215.62 59770975.05 81203228.89 59845083.8 65037923.75 29470679 47074123.32 89515922.03 72113449.27 107010448 68616977.18 FFA(18:2) 60804267.2 37154558.66 82450299.02 45661345.94 37070979.47 43911240.98 29179513.07 32046771.63 26930867.89 20909707.84 42969138.11 46559007.21 66448636.71 33346621 FFA(20:0) 2937285.779 1776784.045 1510822.196 1652304.306 1248975.196 1372885.959 2217979.939 1180555.029 1905895.824 1320330.373 1485883.951 1245697.33 1254597.343 1333167.856 FFA(20:1) 2002759.443 1162783.662 3549106.142 1673671.081 1136142.684 1578776.376 1033409.244 1405483.547 528736.1206 753079.6004 1412218.705 1380970.47 2941902.315 1426514.207 FFA(20:2) 2966686.642 921623.5083 2299249.375 1774287.516 600943.2715 896661.7939 1360140.012 733462.1696 734866.0649 543299.4509 990351.5365 796163.6501 2144578.747 868238.5831 FFA(20:4) Arachidonic acid 5014741.772 2351071.627 6166376.619 6036664.805 1467613.66 2689689.571 4277071.549 1282785.435 1999150.154 1503992.464 2369799.038 1544010.301 5116109.698 1339406.411 FFA(22:0) 436220.7479 454602.2104 460410.9691 428559.9223 590587.2881 460727.7842 391030.0132 415049.7801 334783.2558 337854.0312 372178.118 493826.3156 384725.5143 427948.7369 FFA(22:1) 214342.5802 147101.7604 206189.8743 251708.6495 142153.839 163313.7257 165670.3443 113842.9268 110389.4697 155092.4904 119376.6493 120932.2626 115434.7042 150104.2385 FFA(22:2) 105920.688 47456.64688 100248.2791 125746.9447 37899.73641 56697.30102 91755.36201 41006.91321 26736.82164 25645.20229 40904.69147 50155.62268 72872.81628 53392.70822 FFA(22:3) 95089.74899 53111.62417 155336.235 182063.306 71778.59838 101589.1091 112486.2154 55620.67848 35061.27209 45586.7363 54180.71549 68504.71337 120644.6608 93857.18547 FFA(24:0) 380584.32 303564.9627 439763.7805 410435.3094 321038.152 211792.8891 406940.0651 192432.8564 406410.7771 204538.2989 269859.2666 229321.7081 153399.8679 189455.9581 FFA(24:1) 266714.1025 249854.7232 625097.4155 365820.476 340879.1028 391508.8787 368628.0193 201257.142 183506.1656 199184.6303 308939.3717 219410.9323 325827.918 232999.466 FFA(24:2) 91967.79381 66874.12841 233101.6367 89859.39434 102485.0119 172689.5526 105917.3451 66735.85989 45011.31299 54752.77026 87653.41892 84654.65403 100016.1328 106464.5129 FFA(24:3) 12870.81276 3774.041555 24373.76703 18083.7905 17987.41171 21590.47911 17164.42712 10225.83737 9160.719976 8275.254097 8110.624735 18728.43384 12831.92771 12469.01815 N-(15Z-tetracosenoyl)-sphing-4-enine; [M-H]-@8.47 41201.36242 17520.97836 96397.94196 57314.648 43264.33493 48996.54496 56313.47919 38539.00416 26198.56674 31087.62329 26283.26462 41781.8248 51655.75535 43925.627 N-(docosanoyl)-sphing-4-enine; [M-H]-@8.46 49560.81531 38564.57302 64742.76976 73225.33451 56505.6965 34482.41995 48019.47502 31169.75422 22030.31719 27225.22006 15931.24167 57636.97937 23341.20431 32594.96279 N-(hexadecanoyl)-sphing-4-enine; [M-H]-@6.84 16525.80128 22419.24531 46357.04472 22662.08594 20457.44843 12058.50688 12015.16499 13455.00699 6792.075419 11295.21583 14708.88192 19599.4507 19236.21095 21056.71007 N-(octadecanoyl)-sphing-4-enine; [M-H]-@7.44 25233.15775 8552.627229 42607.47894 25237.9998 9131.44241 7338.053764 31155.50925 6610.30652 6303.192678 7646.010588 14975.70957 9118.055895 12731.15181 11242.53819 N-(octadecanoyl)-sphinganine; [M-H]-@7.61 5507.227644 1849.638071 22954.29939 8128.879978 6740.177777 3134.43762 3693.279431 821.2762914 623.9874604 4083.990002 7011.334694 5516.536763 4928.058981 5116.56917 N-(tetracosanoyl)-sphing-4-enine; [M-H]-@8.92 101558.5401 75762.40933 116056.3824 138154.0676 76269.79771 71944.42737 128741.7953 72831.5412 70979.03179 54992.95162 35903.14758 83762.41104 44001.87575 94772.60791 PA 34:1; [M-H]-@6.72 16603.04219 6823.328344 12226.62619 13675.58334 7759.971217 3174.441125 12964.87769 9846.217005 8057.530452 2943.885965 6459.404365 6019.36266 9913.04303 8957.912821 PA 34:2; [M-H]-@6.28 26363.09459 20905.67339 17033.48755 9324.14016 16704.22156 22938.19376 12943.60762 27903.8866 14424.22402 7205.959065 15536.22795 22441.01896 17148.46109 22093.31992 PA 36:4; [M-H]-@6.24 15551.57061 23158.01917 8987.827141 5397.611449 8374.746272 34073.40049 7820.814514 10947.60891 15155.05583 15051.03387 14660.32475 22727.39977 20490.79447 18178.55857 PC 28:0; [M-Ac-H]-@5.28 21342.14114 25058.60329 25717.80425 14906.72361 18728.55812 28102.29875 73663.23651 27651.54078 9775.847192 18880.30964 22192.70293 24997.16088 14019.27233 63532.78634 PC 30:2; [M-Ac-H]-@4.92 4516.969037 12356.66784 1487.993486 2787.431399 3203.293555 837.0901716 17784.37047 5812.442891 3686.790419 1964.29835 918.0214386 3841.660474 1071.991155 11660.26743 PC 32:2; [M-Ac-H]-@5.61 304021.2155 261535.1771 105677.5173 270444.6008 321715.2097 142419.6532 373955.19 208704.7439 92587.51055 174501.5464 104717.2743 593838.3173 180273.7276 499645.5775 PC 32:3; [M-Ac-H]-@5.18 18887.08866 19056.868 5679.512672 13331.2887 10589.95872 5466.233412 22484.33082 5754.994949 13202.22136 10308.093 4788.734676 12807.60996 3944.079969 14532.46645 PC 33:1; [M-Ac-H]-@6.46 310168.4004 104176.4719 132829.1363 230013.269 80685.62291 68861.11956 180920.3714 93364.90761 84080.61634 91400.82368 155796.5662 140341.5323 152530.5493 119978.3615 PC 33:2; [M-Ac-H]-@6.00 379717.3127 317795.3519 362596.7044 173001.0644 369389.4463 319522.7874 254581.3017 310401.2419 257603.3795 187365.7971 274088.6778 407225.0999 268755.5102 379796.041 PC 34:3; [M-Ac-H]-@5.81 1523275.482 611489.8207 388348.3856 780297.7861 457157.5374 317321.5303 1055069.092 330818.6823 522113.2014 366602.0247 414886.6484 740124.3339 436318.7275 335436.2299 PC 34:4; [M-Ac-H]-@5.54 179732.3779 123057.8072 87468.04555 237247.9752 126497.0435 71973.76372 243161.075 44161.70699 54278.33982 91408.17416 47113.64944 156679.0291 61882.04448 145434.8648 PC 35:1; [M-Ac-H]-@7.09 112203.5834 113909.7169 93413.79694 104119.8979 69443.08025 72625.20046 197758.2617 76366.18656 61649.59022 49867.77584 86372.82327 88748.82142 70702.16448 80386.23979 PC 35:2; [M-Ac-H]-@6.58 226126.7935 240554.3499 207359.2067 129740.3308 210543.7818 160212.7694 189428.0851 195863.435 142012.1604 103295.6355 164671.8767 257254.394 169082.5588 197380.4806 PC 35:3; [M-Ac-H]-@6.12 116977.5729 72456.93415 174254.6559 59354.62366 186640.5135 99967.00524 85052.27377 36832.95969 94879.62604 30512.13759 104259.9756 119307.8252 153685.759 70276.79561 PC 35:4; [M-Ac-H]-@5.94 218573.4531 240390.351 297212.2626 255399.2527 396813.6657 211336.6352 206659.9654 98434.35166 111138.1283 130451.5547 251724.2908 164318.1114 219592.0527 312801.4505 PC 36:5; [M-Ac-H]-@5.70 712930.0098 592891.9793 460961.3023 1180898.83 697163.3321 324695.8482 1016144.513 332517.5325 287149.5664 519290.0685 292547.2266 720032.0722 327428.8838 496423.4082 PC 37:2; [M-Ac-H]-@7.24 40356.7765 146241.7169 19119.75026 12545.54309 48023.76434 99334.74709 19653.07311 60067.86496 79805.08771 30333.88955 49414.95347 95594.98337 78496.11526 77725.11496 PC 37:3; [M-Ac-H]-@6.77 95709.6003 81675.19102 64577.99806 52034.80764 36259.28161 53574.84448 105000.1159 74485.00492 33264.25416 60761.18228 74247.83347 48333.13119 32700.66757 68397.27256 PC 37:4; [M-Ac-H]-@6.53 109376.7942 92258.09535 198162.8748 182800.6652 110746.746 74445.91056 163704.584 74569.98435 77110.80268 143909.4678 114028.8576 107442.6758 106289.4017 141299.2455 PC 37:5; [M-Ac-H]-@6.06 85573.66576 81264.59127 113866.2536 99780.9213 79058.78333 45734.15713 126952.4697 51291.01117 43870.74488 51619.26916 58150.63996 47131.80852 64469.92746 64894.66186 PC 37:6; [M-Ac-H]-@5.80 140290.2816 108071.7569 191841.3789 161684.5935 102619.3186 70775.47382 135284.7146 108234.5661 43211.66714 102765.4788 75520.36926 99206.98855 95895.38433 77946.19969 PC 38:2; [M-Ac-H]-@7.51 305737.2923 165841.2732 93014.89983 103472.1265 92223.88728 114949.3464 242332.8508 82614.70934 177059.1658 111946.4242 81488.52117 103881.9618 80801.03436 173402.954 PC 39:5; [M-Ac-H]-@6.66 37264.11804 33178.31126 56517.56252 44987.70416 16891.2531 31968.74138 42212.93254 30358.19289 28903.19552 26254.88567 28565.48895 30470.03405 17363.12062 20955.21487 PC 39:6; [M-Ac-H]-@6.46 23437.074 15508.49791 38894.90525 29905.21492 20458.62621 32761.80963 37273.71831 42815.36563 12682.96142 39943.49875 23386.61422 33382.80509 20373.26252 13482.96666 PC 40:4; [M-Ac-H]-@7.33 202219.1965 106224.5792 127526.084 166308.7284 164145.3126 144552.2078 203900.1699 94724.36791 76126.07041 85432.6614 100734.5889 109810.1661 103875.5859 190392.6345 PC 40:5; [M-Ac-H]-@7.06 293550.724 216767.3058 318626.1763 316976.4907 210611.188 180379.7147 332391.3294 164127.1168 108808.0366 176472.9104 163761.4846 158367.2649 171076.1394 223728.2208 PC 40:6; [M-Ac-H]-@6.69 738414.6865 361012.4689 367090.4227 518080.3383 210212.271 240498.8168 525528.7822 258577.5182 241746.7285 440291.0486 262279.9139 161643.9811 229777.3586 149736.1796 PC 40:8; [M-Ac-H]-@5.80 129366.2068 129804.3803 134773.65 186624.9607 169917.4314 86328.84152 165692.9519 199720.5557 75659.69755 83348.00199 78990.84895 145760.4686 87580.69124 238694.9964 PC 40:9; [M-Ac-H]-@5.38 7291.350951 672.3064652 9628.38538 11282.05294 12041.87415 6667.904102 8046.425646 5862.18885 2829.570359 5968.282718 414.1856145 8687.009073 6289.026861 9306.747089 PC 42:10; [M-Ac-H]-@5.75 58886.34775 173405.2176 57685.86207 84139.31839 82957.2232 34666.492 36335.12652 131405.8983 64861.89056 101906.2706 85834.02463 109553.4465 112551.4742 229926.4193 PE 32:0; [M-H]-@6.75 27969.17633 7176.143456 15073.7417 26379.46863 10895.18357 6862.575175 23974.90314 5526.162073 5592.068398 7289.707453 11164.56561 7882.635755 11106.37044 13421.29818 PE 32:1; [M-H]-@6.24 66142.60042 16349.72017 28152.18945 79997.76979 33941.63496 29969.77438 103212.1042 37369.33909 13638.21165 34276.42104 34091.48946 81535.3651 32077.08527 139279.0935 PE 33:1; [M-H]-@6.53 18180.06443 2958.681761 3865.288375 11793.78707 9211.659966 7593.408348 24836.14924 4305.589524 1753.488943 4663.20068 4552.14016 13374.19268 9631.106607 18941.44325 PE 33:2; [M-H]-@6.06 14089.1069 10682.87902 15329.52775 13125.28933 11149.97702 6966.306488 19523.54383 7099.17747 7141.215521 5482.298582 14185.39374 24717.90547 9592.979211 20867.30236 PE 34:1; [M-H]-@6.86 941848.9633 148043.6047 331088.8304 1073928.919 342423.7623 141563.3123 786015.9823 164449.9963 288829.2485 222085.8295 329507.5576 294622.5715 275188.5495 375500.3061 PE 34:2; [M-H]-@6.42 833447.8041 285870.1508 566767.9102 731073.7576 673585.0175 253829.6463 788186.8648 359845.0508 604940.2707 267809.0977 500698.8533 853672.2066 321236.1365 701213.3372 PE 34:3; [M-H]-@5.95 420843.3146 101556.9497 237397.1932 353185.4148 432476.7648 122976.183 390380.1323 120408.0508 209191.5726 216261.645 147821.2475 394471.01 91587.95823 362414.4153 PE 35:1; [M-H]-@7.12 33056.17216 6057.098658 14130.75977 20338.41697 20673.19635 6775.37536 42474.75973 16009.14672 12404.50418 15467.5646 13749.09065 25239.04475 13518.47074 10088.81957 PE 35:2; [M-H]-@6.68 60553.07702 24809.6902 40397.26051 57517.65757 63648.55175 14656.62745 61928.1559 28275.30953 31980.3193 16769.95216 30263.18741 73822.90768 20892.49687 58974.58466 PE 35:4; [M-H]-@6.06 20055.55083 6898.846622 33882.26464 32477.53749 27286.13972 11097.86841 51546.19415 8797.84434 5426.602915 24555.68675 24436.51414 22695.32982 26316.32713 20668.60881 PE 36:0; [M-H]-@7.86 87168.37229 34078.86543 48519.59145 54331.43727 30187.52409 35109.66616 65948.51647 37492.24902 53302.19948 33542.91191 45059.28951 32399.35448 35624.27164 34182.18092 PE 36:1; [M-H]-@7.44 309490.6986 150780.1306 117931.9573 307879.3469 405409.3531 177008.1028 390123.1173 156640.0534 213362.6801 124905.6276 92842.66889 376987.7212 124428.3442 231802.1418 PE 36:2; [M-H]-@6.99 1222164.111 741874.7725 763097.6256 888927.4381 1642218.617 622351.2876 1561115.722 974678.6771 1243213.233 598626.6381 526748.3947 2386230.68 626308.7931 1454394.384 PE 36:3; [M-H]-@6.54 922381.7122 329642.785 543253.7416 879355.6669 1032352.447 317635.641 1133259.628 358438.3999 1027275.092 278601.8193 363664.2802 1231769.424 331087.3571 952775.6681 PE 36:4; [M-H]-@6.22 876588.0739 243604.132 1065992.638 1389511.431 631228.8654 279538.649 1257601.621 270107.1904 609924.0762 477771.0387 577596.2102 595122.7317 479956.3183 617563.9014 PE 36:5; [M-H]-@5.96 513835.0529 196162.3577 371516.3138 1082925.777 590368.95 102391.2083 887748.157 195139.3323 159880.5393 386644.5009 152442.8779 514065.1273 130006.0755 530135.5672 PE 36:6; [M-H]-@5.61 2666.760509 3717.902478 3096.507318 9475.131237 5184.067118 2849.491894 22807.22003 3125.421812 2263.802591 4806.476894 2670.439845 2844.443753 1093.427899 3515.66657 PE 37:2; [M-H]-@6.45 8336.947933 26342.03114 5415.930824 2349.273768 15018.0737 9476.875787 10347.97549 11006.20793 6299.886052 3698.845391 6507.222628 20626.79933 17363.42531 9194.295556 PE 37:3; [M-H]-@6.92 16092.84159 12973.82331 19048.42948 31654.92856 23149.70005 19776.76518 33414.64179 10224.45864 13072.49602 10669.66985 12403.37491 13308.27368 16467.34972 21780.18088 PE 37:4; [M-H]-@6.65 132622.4694 35084.64269 96355.27786 137663.9904 45788.02669 17833.1691 187994.6628 29367.76307 37489.38847 35695.25904 60129.90849 65283.03757 61845.97042 45108.82717 PE 37:5; [M-H]-@6.19 12803.94373 25928.69961 28380.21095 39438.78054 25146.41074 58411.88277 56560.35052 33555.12587 34753.75194 47065.76205 32352.45911 78784.09917 53592.35996 22520.59111 PE 37:6; [M-H]-@5.97 31137.1311 2477.463113 33421.79448 74620.44117 30248.69009 11055.92697 54590.07143 13536.45658 3836.454373 37687.92608 24990.68427 17577.03148 18844.91817 15480.11445 PE 38:1; [M-H]-@7.35 29903.23886 40631.19125 28455.36328 21245.37325 37355.61986 33952.28136 56383.71236 23050.14392 30404.32088 12648.45942 13045.52968 24768.37814 12208.8581 42581.13143 PE 38:2; [M-H]-@6.86 108452.6417 96313.96669 99518.7962 40240.23627 107206.8556 58964.936 75044.78215 65992.8946 50738.56317 40720.22548 71288.06778 113476.774 54575.44672 96485.42968 PE 38:3; [M-H]-@6.49 55127.70664 71285.98506 75637.9481 47035.20224 65754.47899 44670.99897 61679.76955 58453.17703 30650.60885 45126.09634 39585.70394 62549.87152 55060.65778 74332.59753 PE 38:5; [M-H]-@6.51 1552300.779 431236.4274 1800730.818 3209947.639 1611907.937 684663.8996 2766456.882 586097.7436 593831.9867 821413.6376 912474.4267 1229681.991 803831.9451 1195715.233 PE 38:6; [M-H]-@6.12 2367705.775 551281.5595 3816072.946 5108811.435 2229274.467 1109773.77 4095533.911 1472403.345 620747.6601 2354387.017 1449366.61 1307581.621 1235481.213 895517.9883 PE 38:7; [M-H]-@5.81 47740.19029 16470.23847 72088.25101 132051.1261 51080.24532 29762.77574 43860.18099 15434.94681 7154.828533 40620.64056 17053.97236 29237.98311 17285.65563 33971.01895 PE 39:6; [M-H]-@6.56 41251.89832 16230.72606 49511.08153 110411.7257 34936.37468 39390.52593 115590.6516 28499.57078 14889.57498 49699.79812 41964.61236 46194.71992 42011.00708 18835.07613 PE 40:3; [M-H]-@7.12 75326.65212 28290.81336 35818.96374 35391.07991 29460.96775 23901.32459 34542.69494 35774.22075 29329.07881 43020.76854 17403.89062 34431.39844 23785.82585 18977.23207 PE 40:4; [M-H]-@7.42 210434.1284 28126.38352 71259.33838 165990.4982 89099.81404 44714.97877 288419.3961 39888.04737 77381.61126 132012.6694 93543.48536 54034.54139 34753.62126 93075.3388 PE 40:5; [M-H]-@7.12 427089.7839 137387.9138 333502.237 851020.3914 294755.6321 117877.9313 678371.804 210062.465 165363.373 241250.2481 190269.7076 210354.6385 189543.3543 244378.8422 PE 40:6; [M-H]-@6.89 1583467.865 401447.1236 1106210.976 2919889.789 1155358.016 392048.1061 1904023.956 660516.2949 551205.5337 1402213.696 667943.3062 722952.975 803692.4734 509005.0899 PE 40:7; [M-H]-@6.38 187796.0876 40276.15342 150133.0863 433617.0632 157691.2796 91298.95694 301241.3602 81871.82816 87338.62475 99190.35351 94413.568 87181.86199 92994.77185 50394.04658 PE 40:8; [M-H]-@5.99 75960.19494 25536.2735 79940.78853 159475.7222 62639.09032 42673.79899 130650.915 27382.29881 26853.06536 43094.18769 28961.46859 46998.48132 39632.84045 44977.35437 PG 32:0; [M-H]-@5.80 10320.34937 18281.90278 2159.351865 12315.54903 7571.338931 8397.489132 7325.959806 5670.690324 6360.168789 11219.41698 5233.453578 7602.509456 8664.910539 14232.8708 PG 33:0; [M-H]-@6.09 23227.39438 52083.84019 12506.16447 10218.804 42255.80839 66775.01204 7327.362781 18305.08419 29141.74816 30039.54559 36043.76599 45402.72654 55776.05451 30405.39648 PG 33:1; [M-H]-@6.55 36536.73049 34709.77309 31015.81929 17494.57038 15125.44168 19239.82669 24416.98679 22799.94802 24387.16895 18637.4642 23513.2637 21008.81318 21095.74203 22532.6613 PG 34:2; [M-H]-@5.50 5699.375712 4945.15214 8575.575044 17338.90155 12459.92056 5911.08387 5720.010445 4620.868601 8333.803185 2497.007126 7389.862257 8949.535501 3688.880023 9857.364469 PG 36:0; [M-H]-@6.90 131558.869 74300.83155 80557.40074 57861.7173 50041.8222 54472.86498 78018.40191 47452.41016 80920.22101 47542.6334 70652.66942 64889.97843 70231.29067 49501.22794 PG 36:1; [M-H]-@6.44 33049.76551 25497.23379 16711.88598 21966.44417 54570.39069 17154.37585 14691.18798 30498.20791 23990.74585 38633.88111 30130.73938 55501.2019 88087.38937 18263.86059 PG 36:2; [M-H]-@5.97 119897.7826 28900.65749 83850.10597 185146.3701 142700.77 45204.82392 128669.3522 53898.76501 56910.09288 65758.05239 44603.49397 86090.17326 73803.07322 82059.68403 PG 36:3; [M-H]-@5.33 19200.27447 6817.891656 11055.77416 24230.65179 20935.69271 11007.26773 21927.75423 11914.10225 11503.2552 11783.91622 12898.86791 13273.01216 15300.11432 33401.06832 PG 38:4; [M-H]-@6.09 13772.92089 6931.211594 11074.3177 6864.999452 23110.40659 7896.090021 11775.80367 7319.454347 6495.862195 7264.32411 4929.025663 18797.81313 4655.987927 10045.85637 PI 34:1; [M-H]-@5.74 30889.88417 32208.67015 41165.08164 51127.76111 47137.8376 29613.29847 69340.39075 63478.83936 15345.91079 30483.68208 47906.94025 74762.71783 48175.59228 113612.8299 PI 34:2; [M-H]-@5.28 86321.74646 48769.2935 36712.80069 56489.343 46027.95409 22315.491 71919.5633 50468.09903 30411.4961 59663.75593 51936.77814 76778.13734 57191.42435 107595.7286 PI 36:1; [M-H]-@6.34 15916.62188 37090.74642 18249.02403 16465.70858 54806.69785 97434.46281 40895.56037 74960.27766 53856.79413 21099.41368 24808.93175 51157.96301 43691.46986 52428.57738 PI 36:2; [M-H]-@5.95 398869.3733 322456.8939 523114.4566 510543.8869 838661.9677 359259.991 349849.559 584395.2646 267444.2015 442681.3376 479741.0157 830894.2451 448648.6697 815798.3825 PI 36:3; [M-H]-@5.41 49043.15556 58088.94981 54293.4192 43363.80002 79380.83147 43876.96409 53375.42581 59169.11105 31305.72682 32222.52714 27254.68652 89682.64246 45631.16847 104841.4211 PI 36:4; [M-H]-@5.28 66443.59256 72266.8668 70341.2724 98785.83239 73633.15276 49151.39201 109517.4808 62660.27491 31009.72535 55771.69167 41000.54402 120988.6339 70164.0962 198576.4121 PI 38:3; [M-H]-@6.13 338114.7103 344085.4003 441466.7459 635657.722 436698.558 234768.6684 433608.083 611630.8504 194507.15 281494.4905 213444.8157 401127.232 320775.312 727823.8394 PI 38:4; [M-H]-@5.88 1396526.346 1113247.599 2576279.384 3046725.029 2212617.752 1642873.445 1701908.779 2096888.235 658794.2892 1379971.893 1099545.018 2101103.663 2243853.229 2479640.567 PI 38:5; [M-H]-@5.35 48986.98295 209591.7493 38971.63849 39193.83759 95573.73143 155837.9285 38300.3717 83818.11812 63102.13239 57721.54423 60067.55618 165142.145 134861.0069 164419.0435 PI 40:5; [M-H]-@5.99 103744.0588 103935.9581 241638.7961 332092.8515 199434.0355 81736.03276 182557.1877 320977.8607 65995.33947 194033.3412 110410.3461 216923.6264 157152.3822 323988.5817 PI 40:6; [M-H]-@5.84 32116.76185 25139.92245 54053.4844 61024.2522 51299.05913 32637.29196 43128.92985 62025.06885 10520.47182 59098.70955 37150.38399 29219.66927 39235.00755 38505.10361 PS 38:4; [M-H]-@6.00 66318.6751 14475.41655 18526.2442 16267.62819 13538.35701 1199.769536 9677.975105 21992.74924 37927.24074 30023.81677 5113.726905 8568.603064 5051.660245 19380.1164 lysoPE 16:0; [M-H]-@1.65 214667.6762 74157.20545 116411.2226 149944.0759 80107.23346 72590.81338 232604.6529 54820.58125 40964.85162 53194.02482 47472.12689 103546.2989 61794.36529 132363.0622 lysoPE 17:0; [M-H]-@2.05 19366.93386 11884.47156 16050.72477 17552.55405 6398.501549 9312.783887 29377.67686 9433.691934 11487.08265 5066.610325 11078.77845 1650.464695 11166.69394 4916.808951 lysoPE 18:0; [M-H]-@2.44 595353.4225 170397.8982 205374.2798 298250.153 109274.5528 89694.4807 460985.8298 100245.4718 97071.73844 111482.2665 112902.488 171465.3683 121855.184 176717.0408 lysoPE 18:1; [M-H]-@1.83 275234.7735 156695.2971 104555.7789 153405.5432 167650.226 105036.8968 338026.3846 69461.11676 132173.6789 42993.03513 62674.2939 275561.0156 109743.1243 147037.1095 lysoPE 18:2; [M-H]-@1.37 405558.9268 211328.3058 160511.2904 102505.3118 212618.2317 142117.3686 321732.1048 111290.9572 272284.9964 58039.14546 98442.92757 478316.4698 102863.168 278171.8452 lysoPE 20:3; [M-H]-@1.63 73120.09949 31946.80628 28691.82153 36903.02657 37272.44166 24687.23083 93387.67517 25891.81745 12619.38154 15622.13276 18074.41414 66128.22953 30100.23139 73937.27057 lysoPE 20:4; [M-H]-@1.34 415174.4464 191111.6287 316403.3384 271793.3185 212378.5792 179021.591 424386.7416 109809.6823 129838.5879 85979.31803 121356.2759 292866.0169 189800.1703 180855.0913 lysoPE 22:5; [M-H]-@1.54 118003.7809 41774.20162 66517.62551 66439.07478 47265.53997 50260.43201 156144.3939 26575.87755 23164.23529 26908.51886 25508.17807 63050.50807 39392.1231 62465.0872 lysoPE 22:6; [M-H]-@1.30 359383.87 134803.5158 261261.9731 267447.4047 125952.466 135792.3542 350702.3239 111279.8434 78336.86165 140670.6713 78647.52042 126693.3103 103716.6405 80983.27433 plasmenyl-PE 32:1; [M-H]-@6.58 29070.01327 13966.31656 13385.37297 23580.60756 25739.76283 18646.39671 44740.15021 22999.98003 11760.90837 15856.69193 11506.71733 22594.63733 9334.797822 27044.35054 plasmenyl-PE 34:0; [M-H]-@7.23 52475.61381 36259.33519 54422.05615 35909.43696 38744.8634 49933.90277 62851.48924 36678.08099 18009.95908 19625.84401 19794.94164 40672.38975 24495.87612 36845.0927 plasmenyl-PE 34:1; [M-H]-@7.16 262769.7096 158386.8619 200696.9653 249582.5106 220951.9191 290840.7048 440645.5345 215073.5438 174715.4277 119947.5222 120561.7798 207746.1479 102825.416 151460.9676 plasmenyl-PE 34:2; [M-H]-@6.71 618437.8497 647970.0901 431565.2625 238353.4467 851684.3699 930049.5563 1041521.635 840548.3651 442394.9494 324002.3403 207224.7474 846626.3396 153953.6544 582840.7804 plasmenyl-PE 34:3; [M-H]-@6.33 9389.776675 33491.02284 12854.37261 6490.383342 29844.81862 25954.0325 26348.49291 29923.12117 15858.496 11357.87118 2674.733424 32699.69925 1840.180789 17986.50241 plasmenyl-PE 36:1; [M-H]-@7.73 231026.3526 191521.0516 161695.0727 230127.7328 272058.9182 309096.3331 529087.228 205923.0961 192054.6665 125104.1673 95330.93524 254344.6511 64611.83769 167029.357 plasmenyl-PE 36:2; [M-H]-@7.33 670427.2107 654370.9383 495688.6837 325270.2802 789768.0965 1160873.568 1106703.581 920486.3851 552480.6749 432612.9591 210876.3527 928218.2539 157344.6765 503859.6706 plasmenyl-PE 36:3; [M-H]-@6.90 770582.9458 799055.1688 855410.8559 465978.1814 1006912.061 1277357.407 1445883.129 1080452.987 738036.2885 514747.3134 432561.2905 1207257.465 324982.2963 771124.8553 plasmenyl-PE 36:4; [M-H]-@6.65 3024783.576 2111670.158 3614906.318 1818279.321 1981816.114 3584412.352 5958581.175 2353623.878 1752595.278 1916682.045 1148554.586 2544563.82 982345.3604 1642627.686 plasmenyl-PE 36:5; [M-H]-@6.28 94526.46161 271051.1331 125891.0289 88866.17717 233059.4239 207752.2627 353876.6774 477469.7284 89385.15162 141851.573 36646.32188 225821.5961 33551.91857 130759.7215 plasmenyl-PE 38:1; [M-H]-@8.25 89872.70799 31129.76429 22485.48663 27465.03646 28767.9302 22217.51284 91096.09674 15162.54991 36229.00869 28916.04048 28189.24535 15462.53152 5468.742176 10650.3816 plasmenyl-PE 38:2; [M-H]-@7.83 109287.5198 62955.60101 80655.69775 67251.88032 88470.315 102635.6733 262423.8714 70748.94214 94730.07192 61670.97753 68921.66918 73236.01236 28357.69492 56389.0173 plasmenyl-PE 38:3; [M-H]-@7.53 420321.1101 484150.9395 592164.2924 328966.6371 456545.7135 755363.4501 935391.1167 537140.7116 300891.348 398135.3723 253656.8918 426670.1945 166073.7188 404320.5851 plasmenyl-PE 38:4; [M-H]-@7.24 1582690.1 1785315.164 3166120.183 1667775.968 2183028.864 5384831.812 4145613.863 3207694.061 1886910.709 2589232.42 994846.735 3580770.936 862041.6031 2408336.514 plasmenyl-PE 38:5; [M-H]-@6.74 2744908.325 2665248.694 5007274.734 2011434.699 2928807.022 4139437.63 3590538.373 3525861.541 1500269.313 1805251.032 1551087.942 3607025.908 1546429.704 2532858.343 plasmenyl-PE 38:6; [M-H]-@6.52 1566120.732 1455931.65 2959308.6 1767362.605 1509611.132 2277533.71 2385346.236 1796270.822 1063876.645 1563614.133 1030766.61 1584825.692 963984.8253 1085163.301 plasmenyl-PE 40:3; [M-H]-@8.06 70981.94017 182294.2742 56601.58404 40886.73419 103276.2965 282497.0475 66282.60182 72466.72536 142122.7928 135701.9971 74769.96774 166190.1107 81340.6761 110845.2266 plasmenyl-PE 40:4; [M-H]-@7.76 403119.8054 205787.8461 475058.0049 315838.1497 330457.7304 401155.9437 692223.0902 214659.5179 262877.52 354640.6545 276263.4049 262673.5109 220962.7698 276850.9382 plasmenyl-PE 40:5; [M-H]-@7.37 445874.887 409096.1075 846682.4321 399465.2547 367723.2137 558486.6112 771166.8164 363804.5534 345153.6046 447239.5329 278420.4852 387213.4262 162390.2011 484891.0545 plasmenyl-PE 40:6; [M-H]-@7.17 546672.4147 647690.2701 1187485.508 665567.4626 555687.4608 852449.6507 888078.0164 762181.6844 344080.0262 859993.9133 334691.8492 624486.9788 268891.0718 362301.5102 plasmenyl-PE 42:5; [M-H]-@7.88 97112.06813 62406.86465 105583.9751 90406.82898 73896.10548 89213.02805 174971.6573 58883.32686 48420.57086 90940.7011 107343.3995 57356.81633 25665.30195 54179.32748 plasmenyl-PE 42:6; [M-H]-@7.75 95023.46145 38535.45435 103847.6586 99978.96261 83141.10923 83999.70118 171087.1595 71795.10382 55752.86521 190846.1131 95389.07232 60119.40855 28864.05306 63906.3016 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 72:5; [M-2H](2-)@6.24 6.24 CL(72:5) LipidMaps Bulk ID CL 74:5; [M-2H](2-)@6.55 6.55 CL(74:5) LipidMaps Bulk ID CL 74:7; [M-2H](2-)@6.09 6.09 CL(74:7) LipidMaps Bulk ID CL 78:5; [M-2H](2-)@6.45 6.45 CL(78:5) LipidMaps Bulk ID CL 82:15; [M-2H](2-)@5.91 5.91 CL 82:15 LipidBLAST CerP 32:1; [M-H]-@5.13 5.13 CerP 32:1 LipidBLAST CerP 34:1; [M-H]-@5.84 5.84 CerP 34:1 LipidBLAST CerP 34:2; [M-H]-@5.34 5.34 CerP 34:2 LipidBLAST FFA(16:0) FA(16:0) LipidMaps Bulk ID FFA(18:0) 5281 LMFA01010018 LipidMaps FFA(18:1) FA(18:1) LipidMaps Bulk ID FFA(18:2) FA(18:2) LipidMaps Bulk ID FFA(20:0) 10467 LMFA01010020 LipidMaps FFA(20:1) FA(20:1) LipidMaps Bulk ID FFA(20:2) FA(20:2) LipidMaps Bulk ID FFA(20:4) Arachidonic acid FA(20:4) LipidMaps Bulk ID FFA(22:0) 8215 LMFA01010022 LipidMaps FFA(22:1) FA(22:1) LipidMaps Bulk ID FFA(22:2) FA(22:2) LipidMaps Bulk ID FFA(22:3) FA(22:3) LipidMaps Bulk ID FFA(24:0) 11197 LMFA01010024 LipidMaps FFA(24:1) FA(24:1) LipidMaps Bulk ID FFA(24:2) FA(24:2) LipidMaps Bulk ID FFA(24:3) 52921854 LMFA01030902 LipidMaps N-(15Z-tetracosenoyl)-sphing-4-enine; [M-H]-@8.47 8.47 5283568 N-(docosanoyl)-sphing-4-enine; [M-H]-@8.46 8.46 5283567 N-(hexadecanoyl)-sphing-4-enine; [M-H]-@6.84 6.84 5283564 N-(octadecanoyl)-sphing-4-enine; [M-H]-@7.44 7.44 5283565 N-(octadecanoyl)-sphinganine; [M-H]-@7.61 7.61 5283573 N-(tetracosanoyl)-sphing-4-enine; [M-H]-@8.92 8.92 5283571 PA 34:1; [M-H]-@6.72 6.72 PA(34:1) LipidMaps Bulk ID PA 34:2; [M-H]-@6.28 6.28 PA(34:2) LipidMaps Bulk ID PA 36:4; [M-H]-@6.24 6.24 PA(36:4) LipidMaps Bulk ID PC 28:0; [M-Ac-H]-@5.28 5.28 PC(28:0) LipidMaps Bulk ID PC 30:2; [M-Ac-H]-@4.92 4.92 PC(30:2) LipidMaps Bulk ID PC 32:2; [M-Ac-H]-@5.61 5.61 PC(32:2) LipidMaps Bulk ID PC 32:3; [M-Ac-H]-@5.18 5.18 PC(32:3) LipidMaps Bulk ID PC 33:1; [M-Ac-H]-@6.46 6.46 PC(33:1) LipidMaps Bulk ID PC 33:2; [M-Ac-H]-@6.00 6 PC(33:2) LipidMaps Bulk ID PC 34:3; [M-Ac-H]-@5.81 5.81 PC(34:3) LipidMaps Bulk ID PC 34:4; [M-Ac-H]-@5.54 5.54 PC(34:4) LipidMaps Bulk ID PC 35:1; [M-Ac-H]-@7.09 7.09 PC(35:1) LipidMaps Bulk ID PC 35:2; [M-Ac-H]-@6.58 6.58 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]-@5.94 5.94 PC(35:4) LipidMaps Bulk ID PC 36:5; [M-Ac-H]-@5.70 5.7 PC(36:5) LipidMaps Bulk ID PC 37:2; [M-Ac-H]-@7.24 7.24 PC(37:2) LipidMaps Bulk ID PC 37:3; [M-Ac-H]-@6.77 6.77 PC(37:3) LipidMaps Bulk ID PC 37:4; [M-Ac-H]-@6.53 6.53 PC(37:4) LipidMaps Bulk ID PC 37:5; [M-Ac-H]-@6.06 6.06 PC(37:5) LipidMaps Bulk ID PC 37:6; [M-Ac-H]-@5.80 5.8 PC(37:6) LipidMaps Bulk ID PC 38:2; [M-Ac-H]-@7.51 7.51 PC(38:2) LipidMaps Bulk ID PC 39:5; [M-Ac-H]-@6.66 6.66 PC(39:5) LipidMaps Bulk ID PC 39:6; [M-Ac-H]-@6.46 6.46 PC(39:6) LipidMaps Bulk ID PC 40:4; [M-Ac-H]-@7.33 7.33 PC(40:4) LipidMaps Bulk ID PC 40:5; [M-Ac-H]-@7.06 7.06 PC(40:5) LipidMaps Bulk ID PC 40:6; [M-Ac-H]-@6.69 6.69 PC(40:6) LipidMaps Bulk ID PC 40:8; [M-Ac-H]-@5.80 5.8 PC(40:8) LipidMaps Bulk ID PC 40:9; [M-Ac-H]-@5.38 5.38 PC(40:9) LipidMaps Bulk ID PC 42:10; [M-Ac-H]-@5.75 5.75 PC(42:10) LipidMaps Bulk ID PE 32:0; [M-H]-@6.75 6.75 PE(32:0) LipidMaps Bulk ID PE 32:1; [M-H]-@6.24 6.24 PE(32:1) LipidMaps Bulk ID PE 33:1; [M-H]-@6.53 6.53 PE(33:1) LipidMaps Bulk ID PE 33:2; [M-H]-@6.06 6.06 PE(33:2) LipidMaps Bulk ID PE 34:1; [M-H]-@6.86 6.86 PE(34:1) LipidMaps Bulk ID PE 34:2; [M-H]-@6.42 6.42 PE(34:2) LipidMaps Bulk ID PE 34:3; [M-H]-@5.95 5.95 PE(34:3) LipidMaps Bulk ID PE 35:1; [M-H]-@7.12 7.12 PE(35:1) LipidMaps Bulk ID PE 35:2; [M-H]-@6.68 6.68 PE(35:2) LipidMaps Bulk ID PE 35:4; [M-H]-@6.06 6.06 PE(35:4) LipidMaps Bulk ID PE 36:0; [M-H]-@7.86 7.86 PE(36:0) LipidMaps Bulk ID PE 36:1; [M-H]-@7.44 7.44 PE(36:1) LipidMaps Bulk ID PE 36:2; [M-H]-@6.99 6.99 PE(36:2) LipidMaps Bulk ID PE 36:3; [M-H]-@6.54 6.54 PE(36:3) LipidMaps Bulk ID PE 36:4; [M-H]-@6.22 6.22 PE(36:4) LipidMaps Bulk ID PE 36:5; [M-H]-@5.96 5.96 PE(36:5) LipidMaps Bulk ID PE 36:6; [M-H]-@5.61 5.61 PE(36:6) LipidMaps Bulk ID PE 37:2; [M-H]-@6.45 6.45 PE(37:2) LipidMaps Bulk ID PE 37:3; [M-H]-@6.92 6.92 PE(37:3) LipidMaps Bulk ID PE 37:4; [M-H]-@6.65 6.65 PE(37:4) LipidMaps Bulk ID PE 37:5; [M-H]-@6.19 6.19 PE(37:5) LipidMaps Bulk ID PE 37:6; [M-H]-@5.97 5.97 PE(37:6) LipidMaps Bulk ID PE 38:1; [M-H]-@7.35 7.35 PE(38:1) LipidMaps Bulk ID PE 38:2; [M-H]-@6.86 6.86 PE(38:2) LipidMaps Bulk ID PE 38:3; [M-H]-@6.49 6.49 PE(38:3) LipidMaps Bulk ID PE 38:5; [M-H]-@6.51 6.51 PE(38:5) LipidMaps Bulk ID PE 38:6; [M-H]-@6.12 6.12 PE(38:6) LipidMaps Bulk ID PE 38:7; [M-H]-@5.81 5.81 PE(38:7) LipidMaps Bulk ID PE 39:6; [M-H]-@6.56 6.56 PE(39:6) LipidMaps Bulk ID PE 40:3; [M-H]-@7.12 7.12 PE(40:3) LipidMaps Bulk ID PE 40:4; [M-H]-@7.42 7.42 PE(40:4) LipidMaps Bulk ID PE 40:5; [M-H]-@7.12 7.12 PE(40:5) LipidMaps Bulk ID PE 40:6; [M-H]-@6.89 6.89 PE(40:6) LipidMaps Bulk ID PE 40:7; [M-H]-@6.38 6.38 PE(40:7) LipidMaps Bulk ID PE 40:8; [M-H]-@5.99 5.99 PE(40:8) LipidMaps Bulk ID PG 32:0; [M-H]-@5.80 5.8 PG(32:0) LipidMaps Bulk ID PG 33:0; [M-H]-@6.09 6.09 PG(33:0) LipidMaps Bulk ID PG 33:1; [M-H]-@6.55 6.55 PG(33:1) LipidMaps Bulk ID PG 34:2; [M-H]-@5.50 5.5 PG(34:2) LipidMaps Bulk ID PG 36:0; [M-H]-@6.90 6.9 PG(36:0) LipidMaps Bulk ID PG 36:1; [M-H]-@6.44 6.44 PG(36:1) LipidMaps Bulk ID PG 36:2; [M-H]-@5.97 5.97 PG(36:2) LipidMaps Bulk ID PG 36:3; [M-H]-@5.33 5.33 PG(36:3) LipidMaps Bulk ID PG 38:4; [M-H]-@6.09 6.09 PG(38:4) LipidMaps Bulk ID PI 34:1; [M-H]-@5.74 5.74 PI(34:1) LipidMaps Bulk ID PI 34:2; [M-H]-@5.28 5.28 PI(34:2) LipidMaps Bulk ID PI 36:1; [M-H]-@6.34 6.34 PI(36:1) LipidMaps Bulk ID PI 36:2; [M-H]-@5.95 5.95 PI(36:2) LipidMaps Bulk ID PI 36:3; [M-H]-@5.41 5.41 PI(36:3) LipidMaps Bulk ID PI 36:4; [M-H]-@5.28 5.28 PI(36:4) LipidMaps Bulk ID PI 38:3; [M-H]-@6.13 6.13 PI(38:3) LipidMaps Bulk ID PI 38:4; [M-H]-@5.88 5.88 PI(38:4) LipidMaps Bulk ID PI 38:5; [M-H]-@5.35 5.35 PI(38:5) LipidMaps Bulk ID PI 40:5; [M-H]-@5.99 5.99 PI(40:5) LipidMaps Bulk ID PI 40:6; [M-H]-@5.84 5.84 PI(40:6) LipidMaps Bulk ID PS 38:4; [M-H]-@6.00 6 PS(38:4) LipidMaps Bulk ID lysoPE 16:0; [M-H]-@1.65 1.65 LPE(16:0) LipidMaps Bulk ID lysoPE 17:0; [M-H]-@2.05 2.05 52925149 LMGP02050030 LipidMaps lysoPE 18:0; [M-H]-@2.44 2.44 LPE(18:0) LipidMaps Bulk ID lysoPE 18:1; [M-H]-@1.83 1.83 LPE(18:1) LipidMaps Bulk ID lysoPE 18:2; [M-H]-@1.37 1.37 LPE(18:2) LipidMaps Bulk ID lysoPE 20:3; [M-H]-@1.63 1.63 LPE(20:3) LipidMaps Bulk ID lysoPE 20:4; [M-H]-@1.34 1.34 LPE(20:4) LipidMaps Bulk ID lysoPE 22:5; [M-H]-@1.54 1.54 LPE(22:5) LipidMaps Bulk ID lysoPE 22:6; [M-H]-@1.30 1.3 LPE(22:6) LipidMaps Bulk ID plasmenyl-PE 32:1; [M-H]-@6.58 6.58 PE(P-32:1) LipidMaps Bulk ID plasmenyl-PE 34:0; [M-H]-@7.23 7.23 PE(P-34:0) 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]-@6.71 6.71 PE(P-34:2) LipidMaps Bulk ID plasmenyl-PE 34:3; [M-H]-@6.33 6.33 PE(P-34:3) LipidMaps Bulk ID plasmenyl-PE 36:1; [M-H]-@7.73 7.73 PE(P-36:1) LipidMaps Bulk ID plasmenyl-PE 36:2; [M-H]-@7.33 7.33 PE(P-36:2) LipidMaps Bulk ID plasmenyl-PE 36:3; [M-H]-@6.90 6.9 PE(P-36:3) 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]-@6.28 6.28 PE(P-36:5) LipidMaps Bulk ID plasmenyl-PE 38:1; [M-H]-@8.25 8.25 PE(P-38:1) LipidMaps Bulk ID plasmenyl-PE 38:2; [M-H]-@7.83 7.83 PE(P-38:2) LipidMaps Bulk ID plasmenyl-PE 38:3; [M-H]-@7.53 7.53 PE(P-38:3) LipidMaps Bulk ID plasmenyl-PE 38:4; [M-H]-@7.24 7.24 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 38:6; [M-H]-@6.52 6.52 PE(P-38:6) LipidMaps Bulk ID plasmenyl-PE 40:3; [M-H]-@8.06 8.06 PE(P-40:3) LipidMaps Bulk ID plasmenyl-PE 40:4; [M-H]-@7.76 7.76 PE(P-40:4) LipidMaps Bulk ID plasmenyl-PE 40:5; [M-H]-@7.37 7.37 PE(P-40:5) LipidMaps Bulk ID plasmenyl-PE 40:6; [M-H]-@7.17 7.17 PE(P-40:6) LipidMaps Bulk ID plasmenyl-PE 42:5; [M-H]-@7.88 7.88 plasmenyl-PE 42:5 LipidBLAST plasmenyl-PE 42:6; [M-H]-@7.75 7.75 PE(P-42:6) LipidMaps Bulk ID METABOLITES_END #END