#METABOLOMICS WORKBENCH araskind_20170802_132352 DATATRACK_ID:1180 STUDY_ID:ST000841 ANALYSIS_ID:AN001352 PROJECT_ID:PR000599 VERSION 1 CREATED_ON August 9, 2017, 11:32 am #PROJECT PR:PROJECT_TITLE Prelim data for NIH exercise consortium PR:PROJECT_TYPE MS analysis PR:PROJECT_SUMMARY Plasma samples before and after exercise training in obese adults PR:INSTITUTE University of Michigan PR:DEPARTMENT Kinesiology PR:LABORATORY Horowitz Lab PR:LAST_NAME Horowitz PR:FIRST_NAME Jeff PR:ADDRESS Ann Arbor, MI PR:EMAIL jeffhoro@umich.edu PR:PHONE 734-647-3354 #STUDY ST:STUDY_TITLE Metabolomics of muscle in insulin sensitive and resistant obese indivduals. ST:STUDY_TYPE MS analysis ST:STUDY_SUMMARY "OC" samples: muscle biopsy samples collected from insulin sensitive / insulin ST:STUDY_SUMMARY resistant obese indivduals before undergoing a hyperinsulinemic-euglycemic ST:STUDY_SUMMARY clamp. Subjects were previously categorized for the rate of fatty acid release ST:STUDY_SUMMARY from adipose tissue into the bloodstream as a measure of insuline resistance. ST:STUDY_SUMMARY Low-FA, Med-FA, and High-FA stand for low, medium, and high rate of release. ST:INSTITUTE University of Michigan ST:DEPARTMENT Biomedical Research Core Facilities ST:LABORATORY Metabolomics core ST:LAST_NAME Kachman ST:FIRST_NAME Maureen ST:ADDRESS 6300 Brehm Tower, 1000 Wall Street, Ann Arbor, MI 48105-5714 ST:EMAIL mkachman@med.umich.edu ST:PHONE (734) 232-8175 ST:NUM_GROUPS 4 ST:TOTAL_SUBJECTS 28 #SUBJECT SU:SUBJECT_TYPE HUMAN SU:SUBJECT_SPECIES Homo sapiens SU:TAXONOMY_ID 9606 #SUBJECT_SAMPLE_FACTORS: SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Additional sample data SUBJECT_SAMPLE_FACTORS SU0013583 S00020427 Subject group:LOW-FA SUBJECT_SAMPLE_FACTORS SU0013584 S00020428 Subject group:LOW-FA SUBJECT_SAMPLE_FACTORS SU0013585 S00020429 Subject group:MID-FA SUBJECT_SAMPLE_FACTORS SU0013586 S00020430 Subject group:LOW-FA SUBJECT_SAMPLE_FACTORS SU0013587 S00020431 Subject group:LOW-FA SUBJECT_SAMPLE_FACTORS SU0013588 S00020432 Subject group:MID-FA SUBJECT_SAMPLE_FACTORS SU0013589 S00020433 Subject group:LOW-FA SUBJECT_SAMPLE_FACTORS SU0013590 S00020434 Subject group:LOW-FA SUBJECT_SAMPLE_FACTORS SU0013591 S00020435 Subject group:MID-FA SUBJECT_SAMPLE_FACTORS SU0013592 S00020436 Subject group:LOW-FA SUBJECT_SAMPLE_FACTORS SU0013593 S00020437 Subject group:MID-FA SUBJECT_SAMPLE_FACTORS SU0013594 S00020438 Subject group:MID-FA SUBJECT_SAMPLE_FACTORS SU0013595 S00020439 Subject group:HIGH-FA SUBJECT_SAMPLE_FACTORS SU0013596 S00020440 Subject group:HIGH-FA SUBJECT_SAMPLE_FACTORS SU0013597 S00020441 Subject group:MID-FA SUBJECT_SAMPLE_FACTORS SU0013598 S00020442 Subject group:LOW-FA SUBJECT_SAMPLE_FACTORS SU0013599 S00020443 Subject group:MID-FA SUBJECT_SAMPLE_FACTORS SU0013600 S00020444 Subject group:MID-FA SUBJECT_SAMPLE_FACTORS SU0013601 S00020445 Subject group:HIGH-FA SUBJECT_SAMPLE_FACTORS SU0013602 S00020446 Subject group:MID-FA SUBJECT_SAMPLE_FACTORS SU0013603 S00020447 Subject group:HIGH-FA SUBJECT_SAMPLE_FACTORS SU0013604 S00020448 Subject group:HIGH-FA SUBJECT_SAMPLE_FACTORS SU0013605 S00020449 Subject group:HIGH-FA SUBJECT_SAMPLE_FACTORS SU0013606 S00020450 Subject group:HIGH-FA SUBJECT_SAMPLE_FACTORS SU0013607 S00020451 Subject group:HIGH-FA SUBJECT_SAMPLE_FACTORS SU0013608 S00020452 Subject group:HIGH-FA SUBJECT_SAMPLE_FACTORS SU0013609 S00020453 Subject group:N/A SUBJECT_SAMPLE_FACTORS SU0013610 S00020454 Subject group:N/A #COLLECTION CO:COLLECTION_SUMMARY - #TREATMENT TR:TREATMENT_SUMMARY - #SAMPLEPREP SP:SAMPLEPREP_SUMMARY - SP:SAMPLEPREP_PROTOCOL_FILENAME A003_-_Untargeted_Metabolomics.pdf #CHROMATOGRAPHY CH:CHROMATOGRAPHY_TYPE Reversed phase MS:INSTRUMENT_NAME ABI Sciex 5600+ TripleTOF CH:COLUMN_NAME Waters Acquity HSS T3 (50 x 2.1mm, 1.8um) #ANALYSIS AN:ANALYSIS_TYPE MS AN:ANALYSIS_PROTOCOL_FILE A004 - Shotgun Lipidomics.pdf #MS MS:MS_COMMENTS - MS:INSTRUMENT_NAME ABI Sciex 5600+ TripleTOF MS:INSTRUMENT_TYPE Triple TOF MS:MS_TYPE ESI MS:ION_MODE POSITIVE #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS counts norm MS_METABOLITE_DATA_START Samples S00020427 S00020428 S00020429 S00020430 S00020431 S00020432 S00020433 S00020434 S00020435 S00020436 S00020437 S00020438 S00020439 S00020440 S00020441 S00020442 S00020443 S00020444 S00020445 S00020446 S00020447 S00020448 S00020449 S00020450 S00020451 S00020452 S00020453 S00020454 Factors Subject group:LOW-FA Subject group:LOW-FA Subject group:MID-FA Subject group:LOW-FA Subject group:LOW-FA Subject group:MID-FA Subject group:LOW-FA Subject group:LOW-FA Subject group:MID-FA Subject group:LOW-FA Subject group:MID-FA Subject group:MID-FA Subject group:HIGH-FA Subject group:HIGH-FA Subject group:MID-FA Subject group:LOW-FA Subject group:MID-FA Subject group:MID-FA Subject group:HIGH-FA Subject group:MID-FA Subject group:HIGH-FA Subject group:HIGH-FA Subject group:HIGH-FA Subject group:HIGH-FA Subject group:HIGH-FA Subject group:HIGH-FA Subject group:N/A Subject group:N/A CE(16:0); [M+NH4]+@11.03 393.0993579 436.4828077 89.59974335 235.2700364 2944.975143 .467183996 185.3680779 77.67170731 225.7877576 447.6015002 169.2794724 228.101552 149.3483318 44.77756816 357.9324067 105.4925185 300.0167933 226.0093736 279.4777756 149.3309113 410.805719 168.7122483 148.785754 807.3585721 129.0247263 61.82935615 320.3611823 779.1430826 CE(17:1); [M+NH4]+@10.93 257.0463189 913.490258 490.9353195 416.9051452 254.7128277 249.9875145 325.6341445 205.1940148 126.6869365 145.9029061 209.5125433 552.7224344 520.9589676 1065.207728 241.0681849 211.143344 322.4107509 44.53639891 20.36689103 223.9122591 434.2423556 187.5432759 156.8991651 290.6288852 173.6976197 487.2875485 237.184776 20.24704646 CE(18:0); [M+NH4]+@11.42 279.2574061 76.77045017 125.5005351 86.27863963 205.4366448 129.6911956 225.9333484 5.378824138 352.2536259 230.2607943 105.3972214 513.7854008 308.2890357 197.2725227 28.1166824 369.3892855 117.2403111 110.070225 241.8516866 251.4090415 134.5068601 441.9807253 357.3481246 36.08961663 165.7828732 195.476853 467.6945993 92.45419312 CE(18:1); [M+NH4]+@11.05 7098.625672 5035.580837 1232.350853 1166.902382 1652.97492 1308.145205 4590.117826 1194.01191 4717.622283 613.1981514 1459.07666 2316.660263 680.8058969 2905.864786 2860.185305 1812.323264 3277.411535 1988.184739 561.6615522 2830.304887 3065.244433 3473.751891 1156.913399 1591.899143 974.6121434 518.0841894 1570.088956 1978.12972 CE(18:2); [M+NH4]+@10.79 44681.68324 47340.55662 6918.872926 5939.666471 17895.30512 12252.40466 51754.56174 9718.936335 46012.49673 12522.29918 21912.48193 20600.22087 5582.270446 9949.523293 19029.35363 12709.28982 38525.30817 21613.95693 6645.719213 10015.54909 19006.26092 19409.91993 10263.98214 25723.85613 9388.695325 13528.27148 14965.36076 20529.87889 CE(18:3); [M+NH4]+@10.54 1157.409569 7244.10162 117.5655179 2963.286563 109.8500767 510.6025484 1005.660432 65.19832606 975.7958992 690.9778265 625.1030914 877.7190779 310.4150284 523.2695921 1105.241364 304.553749 367.0224498 182.6274109 374.9511865 463.3599464 6077.079511 560.7416363 621.6870551 1020.350537 1051.974962 257.0520046 6339.28732 1451.58922 CE(20:3); [M+NH4]+@10.82 1723.494914 523.6701173 799.0761151 480.0708228 696.7149574 3064.661822 3080.68289 553.2498155 2067.950186 415.3456839 1055.222278 1148.4049 755.5419891 1156.47731 1305.65816 1281.973888 2075.542838 1040.325724 240.4919023 651.9835751 1281.80507 311.6582395 897.6274057 839.5538836 524.5064518 605.1088803 859.4976447 1033.385592 CE(20:4); [M+NH4]+@10.65 11355.83271 2379.344569 1967.720718 958.3657104 1291.776595 3319.275463 6999.863227 2248.849726 8337.099088 3563.810287 3406.782182 2819.437269 2792.077236 3442.938763 4532.315505 3525.61343 12997.53251 3765.587873 584.122496 4293.544192 5013.875348 7622.33785 4384.412582 1805.625651 2741.739053 5675.893264 5798.148026 4100.50587 CE(20:5); [M+NH4]+@10.45 727.319306 286.8829829 3063.897251 73.13258444 150.1497239 254.4249727 382.8361624 260.7969685 232.340405 2478.865528 2210.980688 3829.966145 468.348474 425.845066 2511.010932 2463.553923 3780.240082 183.1952427 36.39005905 517.4203415 109.0907805 294.7205299 684.2710226 1261.310511 7704.610174 454.9085686 5001.053982 5.58480029 CE(22:4); [M+NH4]+@10.93 472.7834284 249782.7226 104.821859 466.7137806 246.9471314 284699.9529 406.556575 238.5618768 310.465356 579.4484684 355425.6956 177.4656179 272548.7561 11.72121279 299502.5637 119438.9567 190509.1565 1086.30576 256763.8713 180776.3159 250.6245477 176216.7605 163852.5072 336390.9597 175524.9538 292455.0014 143.3416424 197.0087131 CE(22:5); [M+NH4]+@10.75 634.978127 1402.694938 480.3292195 144.1711795 176.7893833 130.7529517 616.745684 504.4266909 517.0999163 457.6158821 501.831451 1267.904998 271.8026314 330.2850864 434.375238 97.03704458 316.3724298 568.1927221 838.6888385 751.7193905 130.1239114 954.097099 229.9182463 1402.762022 179.8839621 69.84625539 498.3696775 344.6704771 CE(22:6); [M+NH4]+@10.54 626.7469291 643.0651768 68.02111209 51.92985209 289.5811991 131.6223335 861.4807975 197.063233 541.3196063 505.2055132 453.3867829 275.0595004 417.2674724 44.51102397 327.3474213 896.2511397 907.4562284 83.2171056 523.417679 16.94940796 338.5340254 135.2914625 441.9262999 140.227065 156.9155791 833.6815819 200.3346115 320.0835274 DG 30:0; [M+NH4]+@7.40 5127.298249 7927.659004 4810.987466 3547.674635 3974.271438 1938.295635 3700.013495 4386.470546 2454.534062 1748.932092 2884.012166 8171.751527 5328.045868 12033.73079 1368.47743 7335.326943 7483.453536 4640.144502 9098.778929 6314.14979 5688.677495 6308.400315 4496.036093 5944.50709 4525.533862 2135.687819 11678.19292 5601.118938 DG 30:1; [M+NH4]+@6.93 1145.888071 2648.470765 2411.235973 1388.780474 2407.023705 1124.226222 1085.556937 1313.568329 1376.232958 1452.108957 497.7981251 1849.872709 1319.820531 4854.233797 1187.994049 4059.759634 1441.04541 1143.116989 4140.474851 2156.052159 2135.602017 919.0440313 2943.778506 377.4002904 978.5956691 482.3520062 6555.753584 1338.705223 DG 30:2; [M+NH4]+@6.46 911.0728351 1283.810434 957.8542598 155.9294613 2490.389626 427.1270238 392.9651113 1385.804648 487.9804818 762.6250393 65.17359796 197.8551068 827.9715768 1381.064025 409.0164033 576.1258265 958.4426734 332.1417055 1283.861138 422.5828099 710.3605259 1649.849621 1078.537892 7760.449947 1772.345302 340.0330993 1936.468004 1275.413906 DG 31:0; [M+NH4]+@7.63 470.1399395 1539.268037 1242.073066 767.0501809 727.1068736 608.3233702 361.6556484 676.3322487 267.0987392 819.8374268 1043.42078 976.6143068 397.2229519 2354.66698 372.0141714 841.0789431 1258.827002 1228.086524 695.6173171 1094.840123 833.2394424 798.4242584 987.4592787 755.439998 861.1479633 679.9183882 2122.090083 585.8714193 DG 32:0; [M+NH4]+@7.90 21712.23392 19021.97448 27083.7936 19150.13203 19185.62343 18989.13671 17918.04047 21919.24094 17464.66859 17381.24785 25405.72985 24009.46321 26381.7127 17993.92312 20743.57168 20490.07459 23630.46423 24283.52122 21697.31411 23876.04398 24430.77934 24898.62776 29121.41761 21040.61373 23515.1351 27939.61795 23614.94482 27887.03895 DG 32:1; [M+NH4]+@7.50 8774.551699 27987.16971 10815.47924 8182.181275 11289.20115 4668.228379 11390.51887 13138.09037 7160.142925 6019.574835 6584.146945 20284.46416 7050.792996 32444.06983 8532.527449 19848.19604 13809.62981 8758.974312 18277.01742 8655.108619 15207.19562 11797.03673 11957.71308 11504.18728 8361.515894 3193.322117 21755.6299 9421.442185 DG 32:2; [M+NH4]+@7.09 2551.506919 7166.48712 3744.230508 4155.577348 5033.022304 2295.223358 3417.553598 5389.038736 1947.323842 2215.775341 1654.283911 6189.713822 2522.325656 8201.741646 1761.348842 6196.700053 4460.757853 2985.502521 6400.162124 4992.291759 3439.778341 3840.382209 4327.364042 3293.835491 1915.632755 1438.094504 6185.260785 3672.466063 DG 33:0; [M+NH4]+@8.12 433.5619768 1305.163516 947.4808357 348.4428319 566.1998745 551.4066834 658.7873392 434.6504052 884.1988424 388.5009497 736.787766 1203.91137 1325.773071 1542.420258 358.5436371 1414.687474 1738.246885 1125.507581 1039.115598 891.3192967 973.1013057 1072.67674 1103.199313 633.6694876 723.7980538 772.3961434 1092.265247 1080.334361 DG 33:1; [M+NH4]+@7.76 1850.660999 4363.344493 1337.343139 1616.354049 2755.68087 1452.751503 1264.216058 1590.537647 1407.75695 891.0397032 1370.202871 2470.045078 1473.166954 4422.938982 1103.095676 2186.370201 3646.701679 916.1216783 2888.007106 2700.429442 2398.198113 2241.59632 1937.838716 1434.95958 975.3111812 675.4539201 4818.129013 1501.929097 DG 34:0; [M+NH4]+@8.42 10030.22872 14275.79023 12773.14892 9211.831108 15394.71479 8405.17123 9206.431826 11122.13517 9284.275406 8507.409284 5752.219541 22004.244 11781.14497 19170.2242 7933.158611 23615.80868 16583.47838 7977.566201 18400.54283 16062.12506 16973.13597 20664.5232 17782.87872 12100.1804 10473.58936 8132.941197 23538.96234 12549.35466 DG 34:2; [M+NH4]+@7.61 37499.60034 385328.0998 46566.55342 21794.31624 199245.4004 30424.416 31081.78359 56882.21408 19083.33427 22090.11326 12444.56898 165220.321 30854.19832 96109.20649 22207.26332 33219.54265 40697.67061 41621.68771 144674.1402 31522.70575 62717.62364 37170.43123 24211.52339 126868.3518 22485.12325 11808.14734 48724.43925 114473.6903 DG 34:3; [M+NH4]+@7.22 4530.589113 12510.27166 5585.177437 5243.083746 6971.548528 3341.2868 3434.560321 9730.724504 3672.252862 3477.348227 3328.697328 5867.988901 2088.230441 11431.14394 1435.343836 4371.908034 6306.927445 3857.595395 7737.5036 3646.603206 5624.17857 3733.020626 5521.435199 4813.004144 5035.111709 1879.957418 7038.087068 5978.641089 DG 35:1; [M+NH4]+@8.25 1582.224204 3828.558064 2348.819746 1302.949588 3377.600043 1001.502069 1197.064276 1766.380929 775.47976 669.6365575 1358.54448 3229.968037 1880.737755 5246.254024 765.4962699 3627.430151 2837.305312 1354.438646 2842.131296 2030.34967 2061.470212 1899.233757 2808.982471 1931.18541 732.6987502 422.0942626 2994.802224 2453.145584 DG 35:2; [M+NH4]+@7.87 2977.451211 3575.750704 2975.053254 3597.236912 3350.64424 4053.113529 2962.407702 3969.057602 2829.322217 3763.506436 3212.134383 2642.232776 2976.268488 2935.153083 2536.226316 3253.037759 3176.383281 3070.013142 3587.437053 2301.913233 2536.481717 3174.08463 2341.350201 2571.336187 2143.828872 4017.280104 2431.006579 2729.623113 DG 35:3; [M+NH4]+@7.51 842.9149411 1529.756572 530.7976373 416.2398419 1092.164698 712.131427 669.4804574 676.5562343 590.0144668 510.0612233 654.4031921 811.5068335 670.5810756 2012.341916 328.6834749 2250.559665 1011.722059 704.8227464 1975.724875 673.3480415 879.9716362 1311.265649 836.2452693 394.2073859 969.2890174 492.4408952 1394.280667 766.905929 DG 36:0; [M+NH4]+@8.88 2984.897816 5609.491198 3513.321507 4515.208663 4097.236064 3769.131045 4141.148912 2231.273208 4088.149251 2616.835337 2842.625471 3407.230493 3714.879184 4748.817657 4043.363531 3611.277337 6829.459499 2982.465086 3412.698576 5112.828645 3369.737514 4685.920766 4857.884163 3331.711433 3990.429846 3655.967701 3971.143018 3744.18369 DG 36:1; [M+NH4]+@8.50 15426.79805 33075.82229 15703.96424 15255.78029 29089.6119 10383.8915 16369.96443 23631.34969 13729.33871 14823.2076 8695.67375 29695.93495 19148.16976 50241.89688 12818.38182 33861.27002 27332.45471 13657.72286 29035.97481 20229.58733 19816.56798 26016.0498 17978.56842 15469.9317 14459.55873 11593.23248 30192.22221 19408.79581 DG 36:2; [M+NH4]+@8.07 111847.7859 143056.0732 108080.6346 151199.3787 128641.317 142722.5388 135561.6892 155588.4416 124867.3756 139303.5688 162786.0367 114783.3287 125740.1494 121850.6998 150382.515 119526.2244 119524.0107 115249.8516 132433.9528 96815.0128 100209.8931 112492.625 98388.91156 101100.4544 130824.5374 139217.6591 83924.6921 145802.5411 DG 36:3; [M+NH4]+@7.71 87724.42486 93745.36131 70021.90434 129971.4109 127282.6957 126521.593 107883.8338 183226.6717 94806.31143 119884.1834 122378.6926 87015.99182 81134.44362 92353.20202 106184.5849 77744.18646 88277.25773 91628.80385 95327.74769 76616.58672 72694.52326 87527.22547 76917.5779 71080.26851 85398.73139 89441.64951 56675.70377 123514.0377 DG 36:4; [M+NH4]+@7.38 19142.3655 180736.1249 21460.17516 17056.33815 109714.4854 21230.7074 22254.11362 71659.80183 12992.83077 17589.78677 10088.81833 105645.3421 16487.47748 49053.03843 10975.6486 15844.82979 16490.6977 25418.63481 77194.74446 15650.04893 30928.53938 20988.09473 15236.68594 75679.77174 12561.71236 7353.491857 13911.39312 78323.27446 DG 36:5; [M+NH4]+@6.99 1497.526917 1801.462752 2024.383336 2102.732631 3018.318744 2051.18494 1975.304915 5230.790075 1470.837697 1500.284292 933.3170539 1821.387985 543.0948504 3016.177116 739.8484578 1269.1417 2260.475528 1491.680695 1655.625837 1468.777974 1206.145696 1220.771062 1213.495185 936.1253112 1682.182985 616.9928231 968.8953339 1040.213467 DG 38:1; [M+NH4]+@8.95 1312.534601 1620.972813 1201.77719 1077.881337 1153.27213 754.4444708 807.3624396 817.7011162 717.4221783 1343.642785 669.0652804 2288.238169 856.9280713 2945.265237 740.7025911 1730.615361 2127.9888 756.7734197 1784.930662 1275.827951 780.8311237 1374.355845 1039.924564 819.1055855 1123.757909 449.7655166 1936.067928 710.433068 DG 38:2; [M+NH4]+@8.58 2323.273818 37839.80887 3380.688336 3485.359707 15682.56431 4262.047116 3648.515662 4388.41214 2067.63955 1870.020076 1637.553363 12972.67568 3386.904146 7464.005311 1739.492828 3389.971958 6861.403106 2751.163576 11550.23528 2043.804502 5515.392622 3592.912232 1872.493299 10832.82807 3147.745203 1140.235794 3336.846158 12981.14684 DG 38:3; [M+NH4]+@8.35 22167.70905 193540.7017 25710.69961 11073.68548 56735.0798 12131.87946 18702.42532 19504.27399 10958.01546 11684.67516 19606.66445 82225.18789 20366.53954 21706.77419 12853.29757 18571.52584 21100.50791 24453.02996 79474.97429 14352.12429 31700.21387 20082.61856 15206.91048 88474.4229 8019.091027 10504.11332 13576.04982 32256.87537 DG 38:4; [M+NH4]+@8.04 113480.7351 72443.14544 82271.84593 112185.6719 57554.5008 89101.82787 85403.11565 82536.79572 84882.30504 111943.3616 272309.4494 103341.8438 91671.88657 31422.94012 75327.85085 69023.34923 78994.70889 121758.6777 109847.2118 78616.82224 77856.09558 97017.8384 97264.79007 114038.4694 66300.80047 177159.9052 38420.27253 77349.40929 DG 38:5; [M+NH4]+@7.69 8319.730898 12585.26832 9974.27895 12228.06216 9131.622446 6636.523982 5562.839468 9964.009535 8521.142783 5666.923332 4698.440376 12260.10287 6302.265334 20749.55585 4588.015898 11265.21978 14883.75211 7151.110113 8987.575238 8383.859913 8375.538003 8814.127515 10376.23242 6564.944788 5651.777991 5760.477122 13315.38394 6804.674306 DG 38:6; [M+NH4]+@7.38 2369.276665 3105.161383 2410.957362 2202.007414 3042.208834 444.4822777 1674.670849 2605.819262 2047.241094 796.8848996 1318.877361 2730.572979 1565.306249 5397.95294 1322.799152 4054.814697 3486.061345 2762.280495 1779.483417 2268.40791 1881.562218 2771.821609 2620.916702 1517.331857 1751.994299 1134.339391 3331.060539 1894.884866 DG 38:7; [M+NH4]+@6.93 127.3721173 364.3817571 345.8806064 340.7069223 261.3512083 254.2202089 223.6535567 542.0956182 244.083901 195.4992352 234.4887716 1271.161798 222.0903392 486.3696081 265.8931823 37.66575923 279.9904939 772.1349273 229.9463092 334.9662704 727.4534643 142.1901922 230.2697364 622.9436488 672.3239536 850.3305785 247.643569 688.9221316 DG 40:4; [M+NH4]+@8.49 2745.859847 4355.024917 2338.287993 3030.104877 5437.273088 2077.53428 2850.241407 3162.690136 1530.483752 3632.602487 3592.132804 7001.523988 5620.9151 5685.27176 3053.662352 3126.832642 4384.725093 2739.449711 5149.106932 3816.956946 4041.798706 5444.157336 4047.616411 14259.06504 13538.89397 3239.670624 4581.949095 5515.130206 DG 40:5; [M+NH4]+@8.08 3973.154346 5257.86603 4604.027723 4425.119855 5005.535456 2445.744061 3099.46243 5471.660076 2812.935496 2727.287374 3423.102189 6181.142995 2212.270737 9066.07841 2260.687426 3932.002813 6102.68018 4352.146454 5171.548695 4189.378713 6339.081833 5432.407966 7082.93897 2719.507826 3515.239567 3381.36087 6002.775371 3296.408424 DG 40:6; [M+NH4]+@7.77 2215.772055 2652.520733 4579.244277 3844.072186 2940.254247 1160.43426 1615.285144 5084.549886 2411.531347 1461.29888 2021.70878 3878.316806 3365.878367 8496.140387 1175.516578 4337.42333 4596.316644 4851.683496 1720.758465 4186.776799 3686.462455 3836.650991 7157.109261 1306.427812 2938.07281 1329.831052 6393.087403 2043.919099 DG 40:7; [M+NH4]+@7.60 1429.380592 1949.49736 3049.870551 2752.820026 3076.936413 786.5633129 1089.21059 2288.647934 1014.647854 1077.17764 589.0196809 2722.063313 662.8250287 4961.752225 1028.109901 2100.477004 1984.264184 1672.151912 1833.056876 706.9597458 784.6446189 3285.919115 3205.564927 1106.921971 1356.724686 1121.570657 2884.841267 1617.948076 DG 40:8; [M+NH4]+@7.18 358.5857195 1019.683259 576.3761306 773.5118655 163.5859482 137.8668967 117.120671 554.6657662 305.9702671 309.7533862 293.8808668 399.0542499 153.1792539 535.4264487 265.75961 82.08551246 544.0846755 221.8379993 461.5797231 307.5146974 54.87363087 12.96397822 680.8751418 336.3712637 409.6353247 542.1703162 397.0276669 267.7289606 PC 19:1; [M+H]+@1.78 1523.47067 1399.356889 2215.036793 2039.579954 1852.434191 1194.306335 1384.804262 1320.388684 1937.383577 1794.816156 1742.437772 2543.269613 1846.079978 1561.028266 1944.513794 2078.650579 1946.766297 2031.00229 1321.951767 1754.002779 1791.32598 3034.118732 1846.320327 1663.726455 1835.423806 1730.517806 3823.376629 1063.752118 PC 30:0; [M+H]+@5.87 48112.79287 32573.47816 70630.73561 30132.19287 41416.58606 20451.37115 28191.76081 36030.44535 52097.08942 21042.45858 23608.69757 100938.0116 26474.71421 35428.56556 16221.37102 52294.01309 42489.49864 55806.71129 62615.12585 58126.27106 60194.84967 75652.37718 45832.30137 24020.18177 18552.87259 18321.11051 104539.6639 23854.99053 PC 30:1; [M+H]+@5.37 5429.098219 7482.225146 9191.193189 3389.419658 4687.897162 2699.592346 3745.612257 4928.99202 4244.75647 4106.767977 4773.257821 10461.53936 2072.127944 5540.678295 2881.637127 7613.498439 6680.650917 5400.215547 7863.165745 5552.043712 7036.228065 8132.425733 3594.758866 2299.383572 2646.184475 2728.245094 17224.35784 3216.194236 PC 32:0; [M+H]+@6.48 83990.94889 70531.19626 91782.64114 48389.06322 77418.12368 39982.80484 58283.4313 70285.63325 76489.20098 46398.21108 52806.28909 124429.3464 46536.50565 67731.44769 42576.57305 65433.53434 113106.3291 73205.22208 68447.47063 64499.5711 89792.63459 102428.8918 70709.25648 47319.79792 30061.88998 42778.8029 115936.7143 61961.51585 PC 32:2; [M+H]+@5.50 216825.1354 239740.3785 280528.4076 153972.7306 273891.3237 74053.62009 150153.4166 247638.0835 148252.2649 79464.66681 108009.0204 408523.3267 113684.3368 248408.7186 95307.59706 255048.954 276319.3636 152021.0996 287699.5626 190026.2148 230017.3987 358634.7538 166470.4078 111824.8108 112982.031 96384.40148 444330.1181 188596.4324 PC 32:3; [M+H]+@5.09 5348.942982 5584.440037 5015.586371 2344.214182 4416.673807 1312.498573 1725.519682 3093.068176 2031.629689 1710.996292 2066.551523 6017.049397 1675.47881 2779.319627 1994.225791 4308.599934 2514.029942 2750.301108 3542.354006 2897.833424 2800.047706 3693.935744 2117.001106 1908.585303 2433.911645 1498.430528 4547.484069 2638.933179 PC 33:1; [M+H]+@6.36 29207.82811 226588.0411 33541.57288 10021.51657 101713.0401 14242.08349 18473.08159 19836.04747 15961.18013 21922.1135 13729.50808 126171.0524 28581.24594 32313.31999 19491.7749 23121.81322 26414.45642 33198.99215 76140.70688 25344.65132 48700.39904 30691.97555 13883.55231 64653.7534 12257.26831 9983.169584 42772.85216 54677.6563 PC 33:2; [M+H]+@5.85 102726.8398 141984.9956 124968.5013 101351.2269 182507.8746 40954.10784 85082.03233 127631.2461 99755.21705 52582.86198 72526.06422 177848.145 75122.97477 152219.0016 59624.90654 136590.1393 157983.4614 117273.6071 175111.7063 134224.7567 105879.7968 150700.0715 98209.21644 77978.70175 69160.86895 58144.28369 201037.5882 94247.69655 PC 34:1; [M+H]+@6.61 1352364.136 1466921.85 1452423.74 734465.704 1487957.269 564560.5933 850719.2399 1073402.69 1252552.167 750953.8762 729614.8122 1806429.311 745687.7607 1235757.548 1030127.85 1323322.391 1440461.68 1077518.268 1215584.576 956199.9092 1279326.365 1762072.315 791531.9176 880872.3128 643912.4708 640831.0244 2555210.255 884337.4684 PC 34:2; [M+H]+@6.16 7489117.504 7212689.015 8517507.703 5004253.031 7878284.685 4531686.928 4180793.224 7735822.541 6295883.02 3911589.553 5780519.775 9622970.253 4596110.782 7592610.691 4958258.923 6802965.6 8423740.836 6024591.051 7476506.177 6350980.846 6919423.123 8574164.466 6372897.549 5975767.873 5323785.36 5232684.577 11051480.01 7591676.694 PC 34:3; [M+H]+@5.73 363918.7912 2293133.842 357599.6367 125647.7073 1551545.716 152183.1491 224807.12 336006.7251 169842.2999 173536.8407 161051.5574 1637867.591 192372.051 346585.3536 215548.118 232704.0459 349479.755 342942.935 911554.1477 228107.7578 575956.4403 297778.6656 129973.5577 856518.4193 169709.5165 111019.6459 303437.6993 554002.2417 PC 34:4; [M+H]+@5.40 14020.9033 14434.61332 13336.34669 9450.410847 14057.91682 4619.364175 10822.20655 12363.16653 9868.369876 11925.57332 9612.995201 28374.66448 6829.608544 15531.5767 6492.53105 18096.63698 16457.03272 11826.06303 14269.1056 15994.76635 18014.84344 15615.24697 10814.03615 6173.613371 7807.824892 7254.665459 35596.78428 7036.077941 PC 35:2; [M+H]+@6.45 178809.7078 108152.3943 124929.4301 149961.601 179086.7206 133070.3275 125062.0027 155835.5032 164763.5605 184714.2982 281734.4085 134216.1195 222581.8943 60462.53529 143334.7766 106196.3248 131600.1719 143685.8757 139901.4444 123524.4233 140262.1106 141043.5399 115732.4055 117975.9749 138467.5516 212772.5681 100947.4789 177218.6579 PC 35:3; [M+H]+@6.01 26250.71756 44748.3699 25267.03027 12911.9434 78274.1281 16099.97225 15887.24759 31214.29552 24063.11261 18524.16658 12569.91578 47544.27711 32279.40502 34321.34016 26022.51596 25811.79039 27260.13709 21645.70103 37808.00536 27531.33632 28404.47293 37234.74389 19639.02019 110628.4435 59491.48653 12447.16278 31219.97532 42137.39179 PC 35:4; [M+H]+@5.78 4054.602069 5647.582373 7069.931354 3856.063968 7107.591315 2044.175299 3275.1861 7441.63005 3848.476541 3514.622384 4532.483568 13034.9743 3576.577873 6215.867207 3885.017185 5037.446907 5773.646473 9185.480731 6439.855114 7178.863563 6189.606863 8903.464597 4516.885916 3003.053969 3095.996929 3169.076448 12468.01735 3004.921732 PC 35:5; [M+H]+@5.47 673.9798223 509.4946709 202.354118 153.4536404 1219.288315 49.72595662 403.1802824 260.0572657 545.023054 637.4764057 483.2318564 1613.846876 320.7613134 774.8409221 757.844698 961.1133703 85.94959904 941.2089948 836.1608592 262.9583719 388.2436599 1211.851955 718.1838871 951.1795516 3896.279566 291.4407768 907.7748134 4.379100441 PC 36:1; [M+H]+@7.22 126803.2769 145350.0221 100468.3835 74162.31598 144983.1179 62371.66469 105750.7671 117219.7358 171684.8823 122163.9557 77112.90311 139790.3553 104301.7672 116127.0888 119024.0184 120337.9168 175089.6035 108113.2988 113709.3565 94841.30429 107314.5771 134113.6433 64372.49447 76268.11235 80167.76635 65925.2575 200999.9138 103677.7269 PC 36:2; [M+H]+@6.81 2809998.078 1589167.911 2036647.32 1762293.885 2643237.139 1816674.996 2125856.633 2797330.264 3515378.347 3055928.333 4252796.263 1919875.793 2377456.304 876446.5384 2535522.482 1376465.238 2154064.615 2809966.844 1567564.045 1187028.145 1625712.565 1980940.858 1478439.377 1682315.427 2353324.388 3060835.5 1130462.319 2222958.838 PC 36:3; [M+H]+@6.31 1244196.948 1478670.793 1149040.923 820146.2328 2164437.323 606428.4097 1256482.528 1475275.432 1417165.763 873262.8167 779275.7262 1840814.012 859732.2304 1185742.864 870519.2375 1142269.062 1220492.181 936610.1752 1306815.092 898233.9098 1356341.156 1548384.236 690098.4549 1038603.058 837692.9499 547500.5884 1688065.641 1020503.418 PC 36:4; [M+H]+@5.97 274808.3709 232713.5324 334039.0117 145781.2912 390468.7073 175297.2762 178367.7802 300879.8736 233597.1781 270627.6853 232314.3733 552041.6387 129943.0949 468906.5862 224230.783 273948.7158 287401.3881 286547.3553 256629.3697 380458.2554 331017.9396 416394.9445 292123.7713 221617.0906 172978.6884 188801.9351 877538.4595 172577.4342 PC 36:5; [M+H]+@5.70 34724.97614 42474.47781 46209.48163 27835.3962 44842.07557 15409.08225 24500.73783 32885.8068 26097.68707 27727.30341 37671.47887 80776.17934 14593.16858 47160.24319 23636.20199 37647.34474 32805.62687 41546.92175 37930.30351 36244.97182 41237.29334 46764.16691 28478.85671 25235.47065 17024.18425 18084.55426 70949.92443 17388.82817 PC 36:6; [M+H]+@5.35 1152.107923 28053.65363 27911.86688 16580.54283 31802.39763 525.5650236 16072.97277 12074.30236 694.6041886 11665.84653 19302.03904 30491.34076 8101.793447 1385.278379 706.075761 1585.100867 33401.58532 1586.827213 1257.444539 1182.860885 23350.54974 1372.325831 864.0607566 10211.16648 806.6224193 892.5733663 3190.052286 870.0283876 PC 38:2; [M+H]+@7.31 11256.08354 12064.22054 13243.41539 6164.646279 12094.20855 5896.26628 11352.89401 15751.5544 13447.51728 7460.436006 6417.757951 11608.51367 7914.612805 10147.65181 8201.216781 9753.196055 14710.97752 10268.29343 11582.09699 7170.598575 11464.78545 12998.73642 5441.346446 8126.399437 9940.649703 6584.017141 14550.83963 10624.61541 PC 38:3; [M+H]+@7.00 35350.10874 57317.37299 48681.30829 25925.34123 67204.44704 19031.27586 43086.07606 53875.23238 45450.6818 38447.55092 39359.85792 71805.105 28069.46853 52714.44634 41378.54973 49796.4905 66854.26924 41423.36226 44176.59426 33019.903 52093.66044 52311.40537 38304.89741 33782.33707 30975.41178 26360.46494 63346.10182 36764.68565 PC 38:4; [M+H]+@6.75 127783.9776 137445.2788 117367.644 72544.93177 155249.8731 75278.58949 121471.0949 157969.9624 110998.5215 140303.8527 114340.9575 188899.2977 82105.9848 162665.6458 106159.774 133081.2729 196143.1048 137507.8359 127898.6291 147834.101 143395.2236 186170.5371 114516.0205 110269.0415 77247.61922 83598.98962 240476.0255 107678.2238 PC 38:5; [M+H]+@6.30 102163.6736 98428.11676 118268.8674 67685.93103 125298.3542 55980.10117 73331.86641 106918.25 81536.7943 93787.05135 85592.5754 185143.0369 56087.97285 119580.136 73264.6465 97283.07046 84130.49682 109576.6715 83658.43459 115173.8017 107432.8304 145720.8516 79962.17876 82163.56675 60958.07717 49525.66423 222078.1765 51539.17797 PC 38:6; [M+H]+@6.06 88250.69888 114916.1894 127624.1254 82678.52256 100636.1834 34063.57919 72111.45382 158646.8289 100810.4722 61145.77097 91532.37138 102193.6884 46014.61976 137081.4096 64938.95253 101738.0707 127539.8844 94714.03261 84912.57189 123058.5561 163148.7102 130693.8111 127444.5969 79879.16606 40968.77808 69400.23592 213643.2148 61034.50816 PC 40:4; [M+H]+@7.27 5627.013791 7527.556158 6183.005502 4160.488842 11120.02335 3165.784518 6000.223844 7640.337812 3358.554446 5441.437679 8289.599068 10397.70647 3240.014134 9319.771687 4488.932393 7294.355705 7878.53801 7121.652712 4480.010258 5849.10887 7059.485597 11733.11355 5398.318672 4649.837509 4142.287356 3351.387739 11765.69867 5147.852252 PC 40:5; [M+H]+@6.82 10669.98234 12722.40235 14894.3196 6165.934433 20438.84511 6736.402324 9050.813762 14791.6886 10706.38252 11479.94622 16443.09656 20981.50385 8268.198792 16681.36387 9062.318131 16030.07917 12648.87578 17984.29905 9006.354915 14946.31778 12923.39071 18805.70647 11495.67161 9095.505918 8221.515728 9031.918644 18590.21556 10287.79685 PC 40:6; [M+H]+@6.65 8117.17274 17603.3855 15326.94832 4094.893924 9305.968138 5064.002327 6156.491286 7972.613326 7069.595762 5739.856625 5345.149872 13031.23933 4997.809362 10189.79834 4890.085316 8821.314644 5935.65068 6981.454233 7590.825963 13256.53837 13110.03018 9599.83425 7139.663468 5479.575615 3261.073842 4930.784487 25016.15142 12944.93031 PC 40:8; [M+H]+@5.75 7925.083962 6952.858335 6548.615701 3080.492621 7279.11398 1568.662974 3151.736464 10605.36049 5773.000369 5770.497736 3481.171783 8708.926726 4063.747688 5824.317584 4569.609635 5162.97148 10879.50399 7662.531879 8046.709311 5299.270837 6921.357717 5890.794358 3924.652726 3172.374012 3833.939298 2992.938002 6833.821489 7654.37935 PC 42:5; [M+H]+@7.46 615.2103056 4938.97005 671.7270104 326.5314766 969.0860592 379.9551317 390.9183548 685.9852416 523.5245876 401.2413244 195.3815399 2485.389698 549.8907859 520.8468825 117.5247652 82.8621295 590.9396253 352.9595678 1702.629024 592.8534316 1253.819069 527.8010694 268.9940137 3121.571389 462.0364811 271.7075061 1112.201965 535.9192643 PE 19:2; [M+H]+@1.39 10816.22593 10428.1114 9370.64059 14357.66043 14791.79045 8438.925474 8696.272681 11280.87903 8583.718627 6038.978892 11046.25599 16022.3334 8286.852706 12709.18603 8660.601985 11026.79563 11009.80842 6014.431877 12246.16441 9320.365534 10580.33483 11358.26763 9805.384214 10467.61502 9961.797869 11348.46929 7974.277244 8497.717847 PE 21:4; [M+H]+@1.33 12401.05559 7907.099706 8100.595782 7987.53998 12451.06111 7190.742351 9396.140954 9746.227554 10685.70639 9661.846348 9647.3951 11429.98155 7996.965993 11227.87827 9050.79582 10191.14875 15712.9693 10144.52466 12241.68309 7999.92541 13877.26107 16205.00062 11066.67666 5932.487769 10043.42163 9345.540295 12700.16233 8344.001221 PE 23:4; [M+H]+@1.89 1235.972325 1162.746501 1489.727093 697.8592926 1167.772668 815.0376272 1366.686627 1558.483915 1285.990398 860.9571632 1656.337858 962.7061956 852.7313126 873.5141296 1501.042222 935.8055942 1716.912782 953.9241472 1220.641878 701.7979158 1974.200808 2139.306173 1179.4722 1128.224189 1676.073727 843.3416253 1367.410102 941.3234211 PE 32:2; [M+H]+@5.73 1492.62732 1673.58846 1791.750319 678.0778258 1760.131085 629.9843193 492.0335731 1465.22383 1185.210267 188.0961794 519.9560708 2248.524817 952.0564674 975.0859633 596.667561 1400.52191 1323.486005 697.643961 1352.721851 1008.182676 1427.654002 1161.290294 741.7353247 786.4469164 242.9843003 255.5924867 1583.192052 1682.605148 PE 34:1; [M+H]+@6.81 12259.80155 12643.94822 12760.72542 4757.619902 8925.825329 7699.961665 8848.406842 7721.196403 9457.847782 7298.037233 6674.132582 15561.56377 11958.01549 7931.234982 7479.925041 9538.959788 10443.0006 8437.092112 9436.507126 9522.679003 13101.92236 13130.47297 7876.629988 7594.05024 3881.859599 5823.673521 15280.91016 9826.79307 PE 34:2; [M+H]+@6.38 39001.67571 51992.27007 33063.93146 16777.44337 52631.4363 12880.77122 22906.97071 40240.75297 34554.79056 15984.74991 25726.46585 49100.65256 18213.66148 34902.08368 17114.1791 33105.85602 30752.89997 15108.10059 29335.73664 31411.63403 39262.60322 31996.48017 17085.9858 19481.73696 18011.61114 16111.82099 48847.58396 33077.63352 PE 35:2; [M+H]+@6.68 3285.192188 5353.995336 3125.628793 4449.037281 5403.897808 2440.689365 3118.526694 3161.385855 2618.834394 1714.181951 2038.023331 7781.086766 3667.922845 4063.733156 2177.357512 4083.315515 4541.688597 2198.373172 5123.164298 4684.203414 4520.437208 3606.779085 2443.05536 2227.99973 1966.4966 1182.224043 6856.193739 4043.818855 PE 36:0; [M+H]+@7.82 3405.110379 3942.259423 3073.890998 2407.643649 4229.874362 3263.05149 3684.847229 2818.073696 2666.035417 2393.82484 3179.332639 3417.004145 2367.088303 3731.834114 2926.463578 3839.963423 2587.476901 3410.090597 2717.70032 3818.566155 3609.563093 3175.57704 4060.42945 3283.08394 2306.518701 3192.604445 3420.870584 2547.418796 PE 36:1; [M+H]+@7.39 18081.8062 17967.97356 13003.65476 6567.651646 18194.56144 12672.04389 6354.851693 15608.3682 16378.32761 13655.96643 11098.31635 24510.98316 11364.40267 14796.84421 13646.145 13118.61677 13684.7945 15615.02701 19348.77925 11454.85814 16172.81578 17711.24381 10808.98804 11392.67381 8606.903532 7094.830949 24659.06101 13077.4708 PE 36:2; [M+H]+@6.96 293163.7907 305306.5621 264167.6522 187746.1338 410482.2255 162194.7791 133061.8169 273777.3943 265669.6177 109556.0164 150971.8594 477135.7348 193198.6547 261454.0691 197107.1648 205239.7547 338857.4449 146621.6722 378476.9344 178120.6371 291904.2556 352279.87 185751.9947 249326.5847 170134.347 139187.0804 389963.2423 322234.0499 PE 36:4; [M+H]+@6.35 29067.61564 31539.97764 24070.7752 13379.82862 39343.38432 13179.25868 20611.07348 29377.28503 19149.52893 18577.14858 24252.49437 37378.84125 20477.10607 28168.79859 16308.72762 26768.90064 42192.15473 18753.53354 22112.7769 26163.37192 33375.37897 32959.32504 18863.95844 18683.89226 14313.89998 15716.50191 48528.10047 26673.21415 PE 37:4; [M+H]+@6.64 3574.485881 6566.523016 3448.841357 3108.423791 6554.861884 1607.377407 3280.987681 7396.455148 3043.920541 3070.744078 2833.730531 9696.649334 3085.943484 7819.038411 1861.196463 7703.037733 4159.290917 3666.542314 5138.667662 5549.710908 6129.940378 7686.686506 3649.623209 2474.893913 1841.66549 2706.97551 10716.35143 5443.509933 PE 38:4; [M+H]+@6.98 514930.4083 569334.2674 682088.6891 352710.5421 1110609.835 151393.9332 420630.5044 884439.7357 520169.4478 308985.9451 467392.955 855592.3472 360368.3295 826441.7832 323324.2354 598777.8341 847971.8956 573703.3463 464595.0498 553954.5434 603990.7336 1073325.138 432236.0944 345028.4585 492756.4568 431000.9692 678215.9998 499972.1639 PE 40:1; [M+H]+@8.37 221.2641591 699.4872021 398.9619121 379.2211276 347.484769 471.4093706 400.5675608 238.6603196 62.81666358 329.2278839 232.1184506 645.6895621 247.7257523 635.5024714 168.5259397 492.8007844 428.2255302 3.49177098 145.6012242 581.2569729 707.1959947 246.3321269 255.0466897 422.9999981 279.0821765 480.5551895 288.3781734 581.3810732 PE 40:4; [M+H]+@7.38 20879.28724 15081.21607 19319.3987 10723.88827 27532.9095 14376.24972 8089.05455 26166.42444 9324.135182 8809.643004 13090.76509 40588.5123 20374.00061 20356.21608 12862.13066 12711.39112 26937.30815 18450.05124 25591.71387 15196.21744 29383.54154 30107.69666 24513.21009 15185.37985 17003.14086 10477.92388 63069.41704 17815.62218 PE 40:5; [M+H]+@7.24 30782.87125 28653.0582 40248.40669 23618.48428 52540.70449 20318.46517 15249.35509 45829.65643 26395.00599 19648.90937 25086.75414 73800.36934 17384.33842 37709.26557 22526.11715 25339.17826 33431.06589 29037.28749 34548.14465 32661.32653 36147.69996 50461.57981 33691.73267 20862.52411 19556.23747 20392.5792 99043.62507 27186.85854 PE 40:6; [M+H]+@6.88 46990.72428 45223.03811 90680.99108 40694.93775 65787.2447 15133.80094 28353.54026 98473.59545 68852.53081 29359.04305 48794.53051 52319.76654 30450.26211 47658.01992 32306.61827 53097.66331 58798.36264 59414.70724 28269.32135 29965.9048 46058.36732 52618.28822 27247.08127 35001.30357 23876.66033 31741.1439 121437.0603 40541.66584 SM 30:1; [M]+@4.29 1056.255618 1104.563995 782.0972485 873.5027892 933.0449303 311.3331695 715.4087997 489.0568487 633.2581326 511.5124344 799.442872 904.8022454 619.6295439 896.7070727 707.4400473 868.4571266 772.9009483 774.6014895 642.8419926 843.7392259 1332.794088 1203.184445 762.0865897 742.4080514 517.832013 490.0170668 993.0059632 813.9350229 SM 31:1; [M]+@4.74 346.0612047 445.1776982 172.2219483 445.2748161 464.4096667 181.8114157 161.627687 198.4400623 346.1618673 428.1726966 390.150575 728.9327614 599.7209931 453.6690383 306.7176951 532.6864244 983.6341772 519.278332 425.0364198 376.4723094 563.3313765 669.365789 274.104968 359.0720705 120.5857371 104.3674939 497.3279733 161.5480947 SM 32:1; 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[M]+@5.44 6924.883497 9346.525078 4631.3639 2894.233708 9934.653748 2721.558426 5931.065474 4895.619744 5474.814547 4585.72855 3658.003694 8828.735987 4510.713588 6684.737273 3891.206387 6060.279515 8754.301675 7098.060819 5512.960281 7512.580256 7289.740955 7508.185391 5935.045759 5768.590758 3523.90344 3513.858056 8988.436048 6108.270288 SM 33:2; [M]+@4.94 70.37861772 568.9268716 48.24167308 34.39526979 44.19562257 223.2578931 198.0601084 109.48611 126.7669247 31.59362259 141.2662437 571.1714239 303.5124384 143.0180729 251.7247943 79.31008946 110.195006 200.8407084 .668729502 145.8593097 466.4606129 104.1436352 236.0273243 1769.168863 392.2516015 109.5360263 185.2669662 940.775818 SM 34:0; [M]+@6.04 22529.24746 26794.48051 18536.06456 9070.009775 46561.12961 11067.79243 23360.04154 17493.28414 25260.63856 14903.50503 10691.39463 21960.46275 9809.983309 18925.9661 19302.62372 20946.54711 30580.41828 16258.05971 31772.69714 22409.96696 38963.68289 35401.90874 22968.98632 23561.82713 9267.622628 5998.415842 29847.94427 21400.29293 SM 34:1; 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[M+NH4]+@10.60 277738.4357 174597.69 470233.3535 197031.5698 229420.9851 274964.7016 200043.3403 207255.7334 139705.8033 318128.5054 446121.3001 208473.5889 468589.2424 206993.1419 334285.7057 196592.8381 206064.1615 198818.7462 298700.9486 307715.7169 273703.7448 265874.444 320666.2512 390436.7002 139751.0711 390017.3641 202944.0918 571810.3688 TG 48:1; [M+NH4]+@10.36 496463.1904 922163.9968 806107.6686 184562.6009 996204.5493 366810.4758 349929.6578 390004.862 186596.9067 379125.2814 250939.9062 844551.2363 666796.2985 662591.243 401159.5237 431829.6007 533984.3164 530832.5786 945514.1658 434497.6743 754288.6158 472519.1523 301304.47 1236280.833 176507.6929 293629.1008 726880.4257 1107751.939 TG 48:2; [M+NH4]+@10.15 895234.9052 1658977.402 1098234.012 226289.9234 1481325.882 881303.9345 726119.8337 577770.4192 313363.6334 1581538.128 943282.7318 1205325.106 1379152.694 285002.1392 1028680.863 379069.69 688463.9313 1257054.394 1437756.445 546236.616 1082826.125 441705.8839 382660.5066 2202010.647 274669.102 673132.9361 429214.0843 1898294.404 TG 48:3; [M+NH4]+@9.91 321835.5934 1467708.714 357230.3032 61615.29809 867324.7016 142291.0765 227967.9633 213926.004 85972.05121 274879.2592 134205.7664 757553.0743 213972.939 171110.2616 207427.966 173259.4667 307938.6706 404948.8651 829804.7626 165103.1024 421417.1844 196160.4765 93937.8153 608373.5514 46738.31836 86904.37759 251271.0384 636772.4487 TG 49:0; [M+NH4]+@10.72 13046.17284 16464.54912 29657.9333 11845.47553 15583.70564 11743.69547 10182.85906 6404.987897 5559.98769 8222.644889 13299.20868 21625.7459 25094.98472 32598.05403 10165.7762 16134.98467 11852.24898 13655.80061 15690.53604 20376.74637 15530.66778 23824.687 15621.93953 15535.77549 5718.800974 9630.603575 29141.90979 21602.076 TG 49:1; [M+NH4]+@10.51 32887.73672 76510.53612 50542.76356 19643.59229 64172.54565 22576.76104 25463.59326 25279.21141 14326.09483 34361.14784 24774.33999 73167.31786 61870.83692 70121.46307 35206.4534 50068.23911 47143.3884 43524.89229 54080.91669 58849.89914 46649.38964 39594.30989 40327.25395 86431.33946 23700.88737 22783.17734 93743.61063 86481.59565 TG 49:2; [M+NH4]+@10.29 35953.57038 149629.518 50640.7522 14689.49051 65844.28173 20732.10186 29625.50752 35017.32062 14457.25878 46724.01879 20621.65695 80805.74592 57433.9625 48281.69784 34028.14011 34875.5779 44916.39248 61700.20847 80286.46054 32384.9983 59600.84202 33315.14804 23788.09626 92645.44083 13067.5762 15185.48255 48988.60543 77416.10908 TG 50:0; [M+NH4]+@10.84 142450.8163 270622.8101 320222.2832 96377.46315 182603.2301 99128.44546 129307.2968 186616.4182 95638.92279 133948.8411 118979.5081 262079.8687 119753.6555 342611.1234 168147.5052 195564.4734 170828.7195 135538.5407 227537.3953 225046.4483 228336.8812 255872.5695 284496.5449 209240.4665 84014.34981 104492.2579 213864.9421 238636.1797 TG 50:1; [M+NH4]+@10.59 744131.1459 1501258.124 1439240.2 449168.2578 1244039.849 587186.8027 650162.88 930057.9767 491874.6469 704619.4319 504639.5723 1321404.089 1130802.55 1515098.81 753948.585 753161.6808 995504.025 784716.8693 1215157.954 1012591.548 974621.3643 874280.3088 776499.5506 1634360.803 458364.5266 543567.8282 1340884.791 1806155.976 TG 50:2; [M+NH4]+@10.39 1171597.575 2887499.527 1513761.608 422365.052 1876470.556 1198504.368 1049761.858 1077529.283 467020.5043 1263944.179 624848.2144 2050573.722 1116903.368 1355127.151 1268791.444 856563.3489 1711427.55 1518764.57 2425422.329 901303.1438 1536086.042 862648.7946 597541.3957 2014573.264 442437.9029 582792.6822 1648702.532 2241139.409 TG 50:3; [M+NH4]+@10.18 1279883.093 2531784.485 1467903.248 382157.2497 2149706.776 1795464.299 1199289.97 968418.138 490188.4935 2547749.813 1446342.752 1902382.744 1323458.303 360545.1479 1772814.289 491262.3767 1220854.154 1822455.071 2213523.721 680087.8779 1567381.147 549079.832 507888.1719 2470033.185 398451.5406 1040980.367 532576.6425 2562108.326 TG 50:4; [M+NH4]+@9.97 465698.6867 1453953.799 430151.3991 112016.9455 868641.4429 550246.3166 398240.5207 369396.9285 128831.6351 958570.6973 484937.4239 740062.9807 399151.7256 105019.7015 481851.4301 132548.9363 361778.496 683833.5946 868936.0144 222008.8995 449292.0197 183303.3224 132873.7818 799221.5466 107982.1134 256571.3569 150474.7629 1229158.998 TG 50:5; [M+NH4]+@9.77 61530.58667 370180.7864 70594.69298 13993.33701 179631.7379 38036.04702 47165.73458 63424.98055 14652.67811 64864.54971 25326.54549 209790.8126 38115.01427 37431.82503 36302.75369 30473.59965 73205.79996 78088.85832 165214.356 40212.67333 71482.76917 37014.55189 19457.89093 99282.04541 9680.133524 13188.09114 45742.58912 178168.3381 TG 51:1; [M+NH4]+@10.75 58380.61047 166416.8504 85208.31776 28253.10275 133841.3228 52258.35871 37836.95667 58354.18122 28021.01102 59814.83732 40963.63713 159828.8609 117601.9446 130939.1903 56531.48071 67681.20233 70575.77159 72933.7555 140932.4206 75135.52611 105392.2779 81514.42302 54051.23943 146734.4465 39861.35916 26275.98568 106082.7124 141335.6197 TG 51:2; [M+NH4]+@10.55 109905.8602 385331.224 111283.2834 35310.37482 253158.7309 87755.78844 68998.32782 95615.86687 39900.88089 112890.8116 52534.09891 270909.5833 139874.5039 143477.1513 82945.21404 88487.83409 108364.6309 157851.391 300080.0561 105628.5563 158538.2176 88305.7482 61006.07659 220717.2525 35412.7765 45561.494 185084.7832 212056.9773 TG 51:3; [M+NH4]+@10.36 81924.2229 1543539.821 81627.27325 15723.38465 531458.8208 72923.58671 56204.1737 67380.71968 17806.66097 110756.1139 32604.27006 514998.5003 110166.2873 74607.23184 65836.05697 37553.53971 74239.83335 141199.6995 419095.6638 55945.04179 170231.6305 45071.8915 22920.40468 582875.0057 18774.223 19102.75501 65610.41952 414185.842 TG 52:0; [M+NH4]+@11.09 106090.6103 198339.5635 169500.1411 65587.45799 138811.4777 88505.87981 83133.32197 103283.7568 68686.30784 109629.3031 87819.58663 145443.9154 150852.9424 185611.6302 121086.133 143218.8415 121088.9791 72613.19048 209438.5611 167995.0584 180960.1739 140579.7724 142959.803 167213.879 55689.29609 63321.19581 113239.15 238221.2364 TG 52:1; [M+NH4]+@10.85 690972.0886 1327464.96 923205.4183 345407.9274 1441665.781 717717.1271 539281.4175 607829.8739 403451.9767 605653.3902 428582.1471 1255870.309 1035683.327 1061127.877 750743.9794 719883.3589 688014.1712 654589.0566 1315419.588 922681.0034 1065473.732 876447.83 715755.7426 1643673.581 433469.3554 427290.4657 871050.4028 1738867.68 TG 52:2; [M+NH4]+@10.63 2311297.665 4685619.129 2304437.152 796894.8413 3612938.128 2292255.852 1615023.406 1686420.142 1047310.496 1840618.274 1206383.918 3001987.024 2086714.904 2497600.922 1976403.794 1620177.124 2136677.266 2525896.11 3927998.288 1685914.733 2855515.37 1687284.942 1554359.628 3647016.799 909275.8813 1136620.456 2607084.809 4597382.936 TG 52:3; [M+NH4]+@10.43 2681144.679 5150716.855 2062648.467 800347.6511 3913062.197 2221648.485 2107178.024 2175729.332 1077299.401 2435263.057 1154617.064 3580683.125 2249399.293 2192120.152 1953826.964 1322067.983 3159636.057 2267518.589 4787106.628 1572179.843 2915078.794 1469830.56 1132492.992 4169578.027 865103.8133 1097367.37 2504107.587 5819798.897 TG 52:4; [M+NH4]+@10.23 2278127.843 3880345.049 1635253.805 665824.9137 3228822.366 3297222.929 1905593.382 1844892.109 927322.9654 3844482.707 2119995.296 2843067.456 2471763.499 471528.7238 2453431.225 550914.6143 1692229.167 2669155.953 3782463.248 1287257.93 2192950.197 993793.5263 968177.1375 5005209.998 715788.0337 1880319.821 721850.1705 6315908.904 TG 52:5; [M+NH4]+@10.03 382975.1258 1628329.586 368225.2783 73369.90126 1238188.024 413092.6698 262224.1294 330725.5398 100845.976 355888.6784 165695.0399 1026922.868 239411.3463 233280.4027 245886.469 158899.1494 395793.85 466810.8446 1077840.015 225403.8039 428647.7996 194623.7597 142905.7993 740022.7335 76581.92438 118601.5196 270883.1767 1084984.422 TG 52:6; [M+NH4]+@9.85 60994.40907 301396.6537 63464.76297 14403.17287 200397.4806 45738.153 36205.52307 57331.64777 17683.13029 52185.1753 23159.64152 221634.4158 33502.64455 36990.69406 33344.24142 23479.50793 65090.75373 82806.39872 151029.9789 37577.03396 66574.31532 33955.22684 27314.40663 100585.3777 10310.76055 16035.40325 43563.72916 142903.1426 TG 53:0; [M+NH4]+@11.20 11566.15644 37200.68057 16649.38491 9472.182008 10181.04244 9310.394606 15449.60352 22004.04253 11832.06482 22675.38453 12454.01698 12194.92502 12375.79017 15229.39648 7736.892685 13859.26412 8207.307262 8895.688548 18492.21087 12060.47049 13383.18355 12049.92041 14906.11024 11187.6085 10265.60621 6205.063759 10037.88318 14475.50428 TG 53:1; [M+NH4]+@10.98 27477.58935 615584.9871 23336.74858 9470.420625 236420.5099 24863.99563 22293.91283 31876.03886 9802.588413 30647.43755 10841.81913 177405.4141 67497.37894 28127.19299 24157.43363 18769.39481 26672.34457 39674.56653 153922.4439 25688.84033 69457.9719 28778.15864 20679.94981 304374.4205 7265.554805 11111.13157 22329.43162 140423.532 TG 53:2; [M+NH4]+@10.79 111614.6854 518239.6945 112240.6953 34724.59741 220533.6328 98180.31351 87320.48759 88986.2263 42125.77608 107263.7114 47322.29383 240069.5858 159179.0102 123026.6856 100581.4569 73832.73009 139210.9654 124676.6454 294115.183 91925.23996 157807.04 79976.31562 46889.33417 259599.0179 34497.9468 35676.82459 116383.6243 302570.5657 TG 53:3; [M+NH4]+@10.59 103345.9005 368892.5586 91869.09883 35391.87523 296070.2015 90210.49297 68547.57256 89804.10559 35789.82646 99776.84741 64382.12752 254265.2181 118430.6183 100653.5267 80265.05328 62758.06748 96787.67816 121389.6479 290815.8874 81191.83052 132863.1272 80440.23449 55729.19338 164465.0434 30387.3417 37033.59128 119387.776 236132.0044 TG 53:4; [M+NH4]+@10.40 45784.89156 156329.5435 34730.11683 15081.57862 117631.5827 52191.50714 47862.29655 50350.13446 22789.97981 64138.29832 28614.1519 119776.5893 48858.02516 51326.76464 41995.63685 31784.19159 69653.90337 57640.9362 107546.3026 50266.98926 57061.63297 40182.75162 28019.26755 75744.96907 17512.02458 26391.88469 52373.6013 140699.4849 TG 53:5; [M+NH4]+@10.20 15984.16154 57955.50998 17319.38295 5341.526771 39212.0588 16055.84462 16508.81094 23901.28047 11819.75727 24064.49545 11175.27979 52641.87175 16299.44498 11820.75281 13140.95714 14376.78865 31480.49927 16614.46456 37691.65045 17541.59352 20031.69371 14767.75384 15467.87311 28122.13359 10453.34514 9742.584047 14139.59951 56935.18481 TG 54:0; [M+NH4]+@11.33 15094.26156 50949.38714 25844.90455 9500.446558 29147.20577 11964.65248 20770.86781 17631.3971 12947.79392 21415.58864 11790.7843 22585.51103 34334.51841 46294.85118 36449.06083 18633.79375 19687.36368 13920.75193 40327.14708 24765.8248 38883.96755 26614.61466 12158.05443 64658.68564 14602.27647 7999.912806 11258.50866 41372.73947 TG 54:1; [M+NH4]+@11.11 142589.8783 466250.4637 195613.3658 90818.30264 400852.5005 161851.7596 158261.6436 183901.071 82283.34778 236973.1613 90402.74818 275224.8973 287923.5453 225423.5018 220367.0963 166641.936 182161.7145 153449.4514 379531.0117 185338.5543 237430.9879 174849.9672 99784.92499 546761.5733 93645.32664 71373.36203 193790.3462 535507.1426 TG 54:2; [M+NH4]+@10.90 599147.2721 1905017.532 626279.4865 256803.205 1719412.267 624887.4104 495988.5686 658323.1747 293923.7226 788743.389 362710.186 1369802.415 901335.0983 714660.7822 689261.1094 535640.9838 583963.4747 640081.0104 1631806.487 559017.6271 857016.2 604192.7444 430125.1424 1602201.802 335218.5625 306453.6827 621391.4917 1623662.791 TG 54:3; [M+NH4]+@10.70 1146175.196 3689768.446 1231653.947 635929.6021 2420899.419 1177981.544 1368694.381 1536800.806 745175.2785 1687842.977 801848.7628 2362331.282 1558642.517 1375114.879 1632397.03 1032350.13 1650167.365 1321834.717 2761869.944 992451.7691 1585246.901 1100230.661 659833.4926 2392805.92 602420.8746 573405.0694 1409956.116 3227106.28 TG 54:4; [M+NH4]+@10.48 1299615.482 3483699.829 1235478.74 595542.161 2591690.972 1307701.238 1605408.944 1772827.108 699324.5516 1705550.994 837825.9827 2486843.935 1268549.662 1219697.383 1382790.739 978562.0844 1879559.964 1290564.575 3395296.407 996259.4753 1521107.82 1175100.209 627756.3677 2155075.707 560166.0682 522598.1838 1414660.443 3504589.371 TG 54:5; [M+NH4]+@10.29 1246855.958 2088130.768 1013039.898 711499.5179 2209305.557 2220414.763 1531503.892 1794318.298 802366.808 2653209.171 1911467.12 1762832.882 1472714.482 319070.1013 1717682.513 465408.2804 1064677.86 1659445.447 2530421.861 866380.3456 1219072.671 923992.9633 624285.9807 2249380.393 632467.0993 1177878.091 432773.8527 4088263.834 TG 54:6; [M+NH4]+@10.09 534269.4192 961724.0916 425232.0457 217652.7476 1054189.951 817017.5357 550244.2371 771661.2234 269471.6647 972589.8754 706365.8127 774277.1635 514398.1086 103856.9777 554990.1533 154525.1115 409948.3305 633160.7164 898335.7148 336108.7313 415848.7503 347765.7175 238924.7452 913367.4561 196171.6575 389781.6956 134710.1034 2133315.787 TG 54:7; [M+NH4]+@9.92 70333.1196 1584567.773 69357.69853 15156.56455 669393.5012 68368.41112 48425.37949 115781.0262 17845.98802 67474.49341 22777.13124 625628.4092 52505.06103 34319.85822 37505.25927 18735.55262 65289.5132 99746.05932 367903.6601 33538.14743 106368.1154 42578.78088 17661.65322 453985.2965 11414.63974 11175.86282 29258.77034 639566.5665 TG 54:8; [M+NH4]+@9.73 11670.9145 64542.45631 12822.80179 3827.180182 37140.13088 8530.882974 4829.310608 14716.88762 5607.525426 7958.360853 5818.242757 43681.43831 5778.921423 4302.217461 5454.457255 5714.026264 11483.55969 11809.02363 22666.06153 8127.627593 8799.720733 7375.739761 4856.184711 16873.32519 2092.963909 3396.513435 6120.318885 32619.24736 TG 56:0; [M+NH4]+@11.59 3972.336919 4513.267652 16057.84407 2932.315759 4241.823034 1884.736883 5093.460606 5745.193901 1242.817684 2416.765075 4524.243543 5290.620261 2050.216792 10498.70457 5837.614326 3542.719188 4430.131979 2775.648481 6035.124956 4410.70621 5484.644858 6189.47214 4541.785229 2128.975668 1878.251202 1226.77173 5424.254116 3247.738857 TG 56:1; [M+NH4]+@11.35 9167.822939 49359.12985 37626.79914 10732.27086 32375.26528 11963.9468 15853.35696 31036.747 5034.062645 26290.39442 24973.47413 29089.5314 14618.39251 43044.67308 35763.93718 20567.29779 26478.94877 17653.67218 30402.60002 16340.94008 28207.35497 35195.78434 12587.32895 17337.05197 26408.13022 5238.694395 17038.14873 45115.75916 TG 56:2; [M+NH4]+@11.13 36895.50587 232057.3858 69697.66736 25141.76044 78823.08094 49380.53428 58958.78401 80298.34978 26232.26615 68331.48301 25608.54907 84194.3455 60021.28744 75344.27305 67211.61324 39307.29299 72720.92873 47614.45639 159626.5375 42624.2632 82980.61917 68155.42738 28526.00636 101834.8633 31647.28467 16005.46898 62977.83254 152333.2978 TG 56:3; [M+NH4]+@10.93 65953.28416 328184.4423 98181.45191 33473.34285 205807.058 90787.45489 74214.66623 107671.4915 39667.37919 112978.8824 45010.26914 159948.6529 91927.50404 93086.24401 110856.1486 50610.07627 83510.57147 94102.26542 293927.0195 60228.55337 121219.8064 88337.61489 55181.77998 140504.1438 42125.20581 38489.55888 86994.12234 190970.4964 TG 56:4; [M+NH4]+@10.76 112587.2524 319598.8691 157872.0696 49380.14734 228453.3709 126824.3636 110873.59 149049.2216 52894.32286 124425.9949 83274.7801 255202.2528 96461.98272 147189.1879 122725.3216 87958.19751 137540.6335 121718.6111 325281.8566 118933.3835 146536.2087 170491.281 116522.0398 184141.1748 69132.31489 55376.39832 130013.1705 222561.5044 TG 56:5; [M+NH4]+@10.60 162381.0959 395849.0951 210305.8235 66498.23711 334704.5099 152798.4829 136776.6311 163681.3858 71304.17479 166347.9456 134251.841 303200.6006 115348.3102 188347.56 154935.7739 125374.7405 214762.7454 195094.9247 346364.3914 185935.2837 172756.3314 240653.4487 166368.5362 237579.4405 89442.10921 89725.00666 189421.326 297754.9852 TG 56:6; [M+NH4]+@10.43 153325.2197 363430.1084 183633.5218 72016.93013 266859.1275 125484.8632 167315.529 185688.3356 66026.39523 183437.2907 115986.9403 280596.9004 106101.8936 149504.1362 147935.1345 107907.0185 214102.5624 174640.3515 223289.8165 174509.8034 135352.5176 188893.9748 138588.7424 235158.9064 76738.34487 87318.31429 171151.3498 284017.803 TG 56:7; [M+NH4]+@10.24 113236.1556 308325.6857 159637.4682 50580.81768 208120.494 65986.20216 96905.06523 121200.8664 48775.92017 113919.2581 69338.07744 217451.2577 76664.02293 78560.61131 89034.83855 71526.11723 131744.4108 142471.0254 137218.1949 107332.7325 105583.1375 122357.2891 103567.8344 195181.7749 37184.46132 59926.37178 108485.2736 227182.6927 TG 56:8; [M+NH4]+@10.05 45075.79218 176192.5185 56549.19641 13296.56513 129296.8201 35282.28887 27141.59968 49416.74778 20210.7463 44605.40493 22678.93662 110992.7982 25118.81683 23743.42402 27799.74246 21359.18569 39239.7895 60929.62863 73171.24519 40822.89202 35006.47642 45439.85028 39541.63099 82525.42159 9763.583417 20778.73628 35133.03639 108910.1274 TG 56:9; [M+NH4]+@9.85 7373.63289 50748.5527 12142.18509 2640.633273 25161.4468 5422.185663 4886.067059 7442.664911 4518.173586 8456.26919 3481.531474 22495.34502 6016.561521 3473.047688 5318.408426 3518.416332 16183.56432 10689.94516 12528.52317 7052.824495 7863.034227 6522.636558 4255.397575 14203.72547 2165.889616 2937.343909 8625.109233 17607.21313 TG 57:7; [M+NH4]+@10.39 1740.720682 5999.020215 3672.485834 1674.509333 5065.687324 1807.64717 2938.558218 2891.0158 2307.436856 2629.947357 484.0725824 5247.364284 1007.553095 3702.346134 2050.752846 2490.480895 3698.563553 4154.514663 3866.742866 1853.300999 2186.293797 3622.063201 2814.752796 4992.284488 1294.449411 4093.457946 3065.53217 7646.42974 TG 58:10; [M+NH4]+@9.98 4026.730722 15694.36848 6349.718339 1270.791117 14000.46478 2010.596553 2452.441699 7955.135349 2284.363336 4391.193096 2626.263818 12236.43463 2868.674155 2220.597325 2923.888933 2416.494868 4118.171989 6987.469789 3925.45111 3745.226053 2171.275192 4697.192054 3473.608271 6844.047174 745.5026266 1893.684161 3641.572322 9723.593929 TG 58:11; [M+NH4]+@9.80 1037.28362 6158.578835 1280.218671 262.9887908 2356.444587 872.6070854 201.1298065 843.8742794 515.385003 1072.06345 510.4272402 2730.392036 707.6266114 121.1206204 880.1005251 464.6948856 1538.758281 1228.221007 1089.338735 406.6894177 412.7171011 1208.330158 456.093833 1554.363818 204.2038963 386.9497234 872.3792457 2114.825347 TG 58:2; [M+NH4]+@11.36 14492.66062 50244.6999 47031.6016 23794.67012 33942.2215 16367.68268 23308.58153 37644.66799 12149.86441 23856.29371 22594.11358 34363.27582 17407.63561 49322.53151 46706.74928 24267.68122 51029.18911 14835.55937 37605.00355 32437.74481 32006.03243 35225.49759 15801.16444 16549.90822 15132.03425 6419.98419 32173.46685 40565.26101 TG 58:3; [M+NH4]+@11.16 12591.10056 41485.95566 29177.45865 15094.53904 32800.16848 10576.89288 19334.19793 39212.54154 7444.619191 24396.76106 16041.00924 28964.54107 11967.44646 29730.21172 27882.22767 17115.91346 33949.07313 16222.7606 40815.52762 17843.73188 27042.05335 36448.04091 11558.11506 19534.12439 11551.15128 6476.125654 21488.48726 43800.92131 TG 58:4; [M+NH4]+@10.99 17507.77267 30496.53027 26978.29451 19178.45464 31378.31158 38060.31146 21734.04524 34235.67243 13000.58965 48600.36848 41894.44857 25707.71281 19923.55955 10013.87141 44041.24898 11043.8037 20811.51011 26037.05529 29198.05643 21621.68779 28086.0016 33656.71831 25769.82857 37003.2373 20302.38515 29004.08055 11808.46786 55536.15532 TG 58:5; [M+NH4]+@10.85 21917.45925 319306.5532 38993.75231 7576.822321 148757.6784 20833.31789 18772.24175 34163.93872 6543.209812 32441.64327 14803.16836 141480.527 25672.05541 25220.24672 26962.76937 17969.72922 31453.77313 28031.46831 81131.73624 27139.38032 54829.58695 32890.29134 22000.89471 164236.727 13577.51564 12370.412 26999.14667 117747.8372 TG 58:6; [M+NH4]+@10.65 22425.45927 67527.45264 59859.57354 23434.55002 59373.96869 21800.52293 28173.88565 46108.58834 15354.82626 40483.26862 27317.14173 56407.11152 26969.65077 34711.18842 33856.25867 23422.43391 49382.18207 40519.83755 37718.72019 45818.79874 30722.09043 54410.52645 53351.48802 44384.30071 18589.49058 23774.42252 51368.37178 54362.35825 TG 58:7; [M+NH4]+@10.49 31247.0611 64054.12725 47736.53838 22429.57146 73840.0211 21857.38726 27811.95748 52480.6812 20490.12014 41416.4696 26198.75991 69078.8963 25388.25054 31792.35089 29432.53675 29258.9303 48535.43964 43735.26963 35039.18859 48812.09143 33018.65605 54157.7613 57835.08198 46124.46395 22047.98177 23576.17928 43782.71059 50829.26317 TG 58:8; [M+NH4]+@10.29 23747.12836 351515.8155 37718.4494 10886.80711 184409.0166 19866.8563 23394.46911 38667.77803 13476.9916 33975.65955 15114.98073 152118.6839 31092.37123 17499.23375 28139.63327 14909.13676 29296.53483 45038.08066 73316.15524 26767.51561 45893.50478 31301.07001 22127.73116 147061.5842 10707.03902 11888.86947 19403.70057 111722.8145 TG 58:9; [M+NH4]+@10.15 17430.57828 53617.32441 24174.48416 12093.35773 39518.57701 9586.977799 14925.89031 24223.6555 12270.12012 16378.54543 9608.796652 33478.64748 12674.65184 10842.22238 16842.26116 11576.06684 26730.65153 20448.83488 15434.60341 20462.41084 12961.25278 15347.78765 15234.15792 29104.61868 5288.470738 10538.81265 14446.72142 33900.0214 TG 62:1; [M+NH4]+@12.22 209.9123461 536.4501992 1066.627844 216.6134312 275.9215893 80.91497057 249.5375575 419.1561241 216.5620072 424.9475535 109.2695549 288.752187 169.4761588 695.4768295 584.1971047 299.5263894 621.4908784 155.2560659 644.1794084 80.88520851 415.0253641 367.5545453 185.7439296 134.5554234 251.8124802 75.71571124 353.488566 388.7890154 lysoPC 14:0; [M+H]+@1.00 171.5758482 67.75352831 410.8473865 225.1585804 251.216432 278.9604176 337.0735972 190.3051156 247.2657132 308.7738793 151.778748 419.8354914 81.93139705 311.9440604 208.07097 420.971546 117.1650085 267.2839674 316.4237277 171.4971221 104.5986016 258.9056213 104.1008562 93.94837136 465.0108812 235.7706038 150.6302043 230.489661 lysoPC 15:0; [M+H]+@1.24 296.5970744 717.8540993 698.6611804 218.8554986 99.20055653 191.3640734 273.9315522 272.121713 330.1627304 211.0141059 125.1073691 306.8037624 47.66176995 424.7369682 303.8759141 327.5513227 149.3880963 390.5568951 38.079164 307.8076666 504.8560169 272.7422096 167.6615216 77.07574541 344.9954889 279.4518406 60.04076879 155.1658006 lysoPC 16:0; [M+H]+@1.55 21027.37141 11413.86855 18192.76115 14350.1424 14439.67388 18533.26222 16251.64863 10039.80683 13641.57668 23873.78071 38601.38071 22173.30948 18604.42341 13322.62826 17122.1039 15324.76187 11932.82472 21182.14456 14346.81569 12631.66315 8985.00607 19249.25297 22816.90785 17252.67534 18333.31471 34742.20246 11657.75202 9576.517806 lysoPC 16:1; [M+H]+@1.15 248.1250404 1887.143133 148.8686269 25.63331515 1131.30157 245.2696946 308.9132561 89.40005061 244.4982356 232.1469077 215.6895813 791.9202165 1826.949217 509.041463 339.5188819 106.8712425 416.0022459 71.54544375 4599.299511 107.4836254 553.8607909 3056.268345 217.8202447 904.8540926 192.5729218 127.7445847 341.3166768 337.6953269 lysoPC 17:1; [M+H]+@1.42 166.0313159 195.3498974 43.21443189 128.604536 186.8514488 102.7675135 71.69190573 149.0757352 108.6734959 122.2530355 204.818424 75.5903693 166.9548525 198.1518995 47.55246989 276.5722207 48.98854691 94.06105689 55.6435587 91.8820319 151.3052701 277.022609 109.8796935 240.9273283 98.54496043 111.8984126 398.599483 77.38144625 lysoPC 18:0; [M+H]+@2.31 10082.99598 10695.37602 5374.799663 4141.81699 7538.326327 6198.269684 7478.673931 5081.731777 5561.726081 7030.019631 6218.468405 15408.31984 5347.526865 8106.966379 4504.251208 9638.686798 5889.434766 8713.764509 6489.223555 4663.06819 4486.715064 9726.640066 8181.120016 6684.744822 4240.857588 7352.190977 5538.542045 4434.287113 lysoPC 18:1; [M+H]+@1.65 4137.36884 3764.162977 3878.097225 4194.269956 3357.470276 3021.467317 3218.613699 2095.942365 4471.610124 6132.184195 5102.578167 3518.376759 4344.275867 2366.961827 3488.480069 2389.377818 3318.627523 4285.249483 2850.722347 2130.854503 1763.99575 2446.607459 2180.770454 3917.365079 4136.503977 8545.661144 2347.595278 1375.249323 lysoPC 18:2; [M+H]+@1.25 10974.68634 10651.02691 9726.590461 8186.724117 12275.93459 4690.630198 8141.684483 8953.111387 8918.121859 6255.680396 8430.716006 12243.92259 9517.922507 17007.49812 5743.069659 10286.83544 17656.5022 8949.700264 11132.684 8927.742191 8590.763476 11650.63879 8761.581756 6019.397065 8674.372192 14339.24199 13005.41406 10100.53241 lysoPC 18:3; [M+H]+@1.06 968.9059141 628.899337 50.47972906 343.5235228 524.9406553 332.5853173 535.7218018 112.2183893 295.5431141 235.9241393 121.4541694 69.88222669 217.3774744 39.35364957 245.7610748 481.3259587 1878.37536 187.7617768 344.0939022 592.3905043 259.7508645 1775.968832 33.69951352 170.6765982 15.63504057 86.59106544 679.0653626 543.8977083 lysoPC 19:0; [M+H]+@2.81 3300.683181 3989.004474 3822.391544 2565.130349 3127.939623 3347.589877 3232.382731 2686.525536 2858.031527 2448.562226 3070.437131 4158.372133 3458.960416 4204.957908 2955.848842 3791.513086 1982.167528 3562.796395 2840.840473 4001.170251 4079.896858 3183.744199 4419.017889 3258.236353 2885.421768 2611.470066 2267.789212 2912.023742 lysoPC 20:0; [M+H]+@3.25 62.1977008 89.36700676 44.94698358 262.5906263 192.4520275 62.36784563 33.52828456 21.01495093 28.5265878 177.6077823 323.9926796 32.26327046 140.7047381 134.920885 118.7335189 100.4142716 33.4744976 214.306466 38.63827152 40.29963331 79.98654444 151.6620362 15.64595887 133.8556173 252.6290076 149.4586839 113.9738479 35.28423278 lysoPC 20:1; [M+H]+@2.51 194.7797459 36.61581577 17.211258 355.7404442 37.14132691 11.29046902 20.36633623 127.6613409 372.5659842 81.84431821 565.8803725 52.34154217 83.68253266 11.87207263 66.25738518 107.7860312 53.3717627 74.59561693 34.71572315 592.3905043 36.92811166 28.71260477 77.10552087 71.72694917 135.662092 49.15419065 60.25132704 71.60268165 lysoPC 20:3; [M+H]+@1.43 397.9949896 232.280015 217.1703529 294.1893305 380.1570613 68.38982694 101.0598245 519.0672119 362.285985 214.2326046 263.6905154 388.1880107 380.3430463 368.9095164 387.6602277 359.1251806 545.1997542 317.0731699 527.3853657 147.8664358 476.4796379 796.0574462 370.8970375 433.2611236 532.856599 304.810855 281.560199 119.0801589 lysoPC 20:4; [M+H]+@1.30 1589.400394 1438.732879 1141.989898 509.0995154 1200.54225 619.4457503 744.8664919 1139.157783 1129.09518 976.1394476 608.7451819 1873.857802 809.5559121 1480.703051 677.6391562 860.7125351 1365.36116 1403.787668 2151.365177 1375.719279 1468.474716 2973.545439 2405.402805 801.2285395 1227.71572 1749.28559 2729.171277 1267.638552 lysoPC 20:5; [M+H]+@1.02 850.3161104 652.7273672 519.5690381 375.1008487 599.2942233 235.6622338 426.8350302 306.8689598 623.8075029 153.2627197 234.5845378 320.196412 512.8274912 1052.958218 241.831853 659.3970144 1208.591389 671.9638159 572.216244 736.9619951 544.1871671 436.7477118 706.5109971 323.6028646 1089.57253 729.6384724 698.9022336 199.6130996 lysoPC 22:0; [M+H]+@4.21 12.72107328 472.2838234 49.32161103 15.84914334 24.87344975 19.02785642 55.71443228 71.83547461 60.3567021 23.84528844 36.43295134 31.3880181 26.81777357 423.0123003 27.72661036 10.00267473 25.00287474 50.35993083 2.293132801 37.76021351 25.68373642 138.3715489 43.53297527 41.0180383 23.33073939 46.19639952 50.37981412 122.4179951 lysoPC 22:6; [M+H]+@1.18 116.9824163 4890.008 32.56459041 173.1537384 5.828983021 95.53771385 73.7859356 389.2225733 134.606016 96.49295793 115.5977951 249.2059278 117.2292236 307.5706291 97.89785406 126.7609248 53.26699645 327.5717042 107.1746236 128.0020586 196.3473381 389.2922551 210.6720714 3612.565978 199.9421016 353.6269474 233.68463 71.83652151 lysoPE 16:0; [M+H]+@1.68 277.1589907 474.580116 285.0116312 320.7306491 827.1183121 588.3941921 255.9836715 969.5811577 129.1877877 502.5783498 451.6145207 1029.955194 390.4810352 689.9276182 85.54192996 278.8219325 565.3061545 562.2841891 510.6863399 786.1094495 336.2458253 859.9990916 237.5698938 1660.173906 1003.457687 314.6629266 662.8344601 836.6583794 lysoPE 18:0; [M+H]+@2.48 5091.417222 6614.735028 6470.468683 4035.866605 7686.812107 1995.464336 4134.524853 9732.146028 4120.860226 3747.734437 7766.160417 10580.29866 5724.837152 16092.83406 3782.011688 9614.155447 7995.934352 8008.087105 6270.704591 5312.241745 4969.004876 7121.96394 5841.350804 4890.019072 8008.638828 4681.992029 8543.994437 4877.267769 lysoPE 18:2; [M+H]+@1.32 3084.490878 3476.936224 2650.858074 2170.954764 4028.987113 1918.791268 2558.482034 3386.777325 2053.830469 1686.245432 2721.23973 4792.544599 2404.809822 3579.647086 2167.044944 3194.081529 5291.819877 1637.318846 3116.658747 2371.831187 2570.244457 2994.910894 1746.888103 2550.798915 2401.68827 4348.145978 3500.249449 2956.510272 lysoPE 20:4; [M+H]+@1.26 3773.187057 2318.512622 3038.344481 1838.49148 5380.203926 1772.95501 2449.707437 2116.220711 2610.594726 1957.62533 2041.3583 4398.204583 2244.675635 3895.39515 2345.598724 3749.760097 4222.728876 3644.253326 2964.431765 2678.387382 4366.394832 5068.655786 2840.837241 1711.470495 2915.217429 5487.280333 5359.272457 2776.797614 plasmenyl-PE 32:1; [M+H]+@6.57 2181.665618 6893.461068 4798.049095 1719.977548 1786.758382 1283.548775 2941.146511 1894.975712 462.3429933 694.5114249 3245.18789 4693.034749 1335.652393 6597.911659 1439.819456 5343.20907 4035.558747 2759.991997 1868.598199 3225.108162 2163.062002 5609.77071 2030.891363 2028.040601 2305.483167 1942.085729 6399.983205 1276.511667 plasmenyl-PE 34:1; [M+H]+@7.11 26420.65718 31759.48806 33736.87842 13457.43462 25661.65604 9970.552061 27063.40177 27246.48307 21864.54781 11650.96165 25598.36846 37577.4822 9761.684979 38297.59059 24643.02228 30202.21586 28320.52333 26869.34273 30489.6936 27115.39279 27495.04357 39780.43989 15347.90747 17388.82217 14588.1075 9742.815744 61609.74016 27915.04727 plasmenyl-PE 34:2; [M+H]+@6.67 295601.1056 383652.7278 388282.249 331445.6094 409066.979 113150.6973 185608.8957 308334.238 255588.6504 119434.4424 223568.5092 509060.41 195429.7504 473372.1286 207507.2779 285686.7202 473115.5349 152054.4468 223681.8867 343262.9135 233154.1559 295643.6409 193175.7249 267938.9607 198273.7768 236403.0488 420646.6452 275531.0971 plasmenyl-PE 36:1; [M+H]+@7.68 13801.75694 21438.39188 15504.77936 7559.425519 21320.05496 9246.374174 8029.199665 9280.567037 13236.2808 10984.46363 10020.37613 25355.95856 7799.636041 18067.23725 23002.67615 18704.67557 13576.91987 10267.76928 19414.39998 13432.92809 10092.56785 21504.57907 10435.24469 13583.5705 9730.645533 6030.761483 30013.19032 11047.86644 plasmenyl-PE 36:2; [M+H]+@7.26 207030.2181 253073.0649 233005.1705 188871.6812 432250.0081 147196.1686 181525.5349 228291.8641 194301.1549 132957.5321 167673.5705 357094.8589 170413.2609 294579.2931 216961.5242 248813.741 277617.9293 140669.5825 314407.9641 262178.3499 167668.5236 316680.1273 232575.3335 219369.8105 161278.128 152811.1713 314854.3693 237626.969 plasmenyl-PE 36:4; [M+H]+@6.63 443652.6758 222186.6188 476130.0431 258611.8821 416894.1466 214475.3191 282656.7825 373158.497 454241.1207 417204.8234 641166.7343 366876.0357 360768.6621 175137.9951 361019.484 228111.5617 357318.458 506615.7798 308527.0536 326137.4452 364854.3203 491107.1492 403936.0674 296733.906 359860.2906 584169.048 343458.2684 349101.3435 plasmenyl-PE 36:5; [M+H]+@6.30 22348.97205 26495.03794 42115.3592 21695.54083 30463.66141 8309.209834 14784.47117 18677.94445 38900.42045 10794.52315 15055.06921 48121.86455 16674.03127 33731.27788 12955.89486 20865.20284 53573.48843 32414.51591 24652.3073 24914.92415 25219.23313 29256.1451 17699.69763 16987.75886 18321.43565 14761.25565 44846.6236 16996.42785 plasmenyl-PE 38:1; [M+H]+@8.18 1253.509786 4011.092371 1595.529927 930.5822019 1827.546339 816.7487823 1752.841245 1793.384352 940.0356822 1652.160011 1411.264315 2172.608366 1041.950615 2477.552012 2620.090043 1882.880516 2213.245821 1521.31744 2976.047884 1987.509358 1679.359008 2409.884609 1201.333087 1424.620657 1091.149434 386.6076024 2191.5069 839.8772897 plasmenyl-PE 38:2; [M+H]+@7.82 5018.818764 41099.02113 5862.934228 2370.146879 21256.69686 4759.135549 4447.744522 5095.231847 3149.219742 2880.518331 3138.651337 17067.9195 3764.73186 8046.360523 5104.203925 3757.458776 4581.191324 4575.756472 15256.79646 3280.145137 7635.317155 6641.573421 2674.115052 18620.25399 3110.199406 1491.801285 4832.410425 8839.028958 plasmenyl-PE 38:3; [M+H]+@7.49 74724.17836 72549.11265 61972.23729 33518.85348 97253.93945 33259.35815 52793.7079 72264.69696 60238.19493 56127.0352 59127.7056 70720.65337 52405.53141 80828.46546 64476.50853 64719.67056 96434.82366 54998.82514 81265.21853 57222.29113 82282.38617 104986.2476 79358.79008 52299.63616 50667.98141 36415.50762 95284.67938 49265.55709 plasmenyl-PE 38:4; [M+H]+@7.25 429127.9763 222441.6567 383396.147 250938.1618 451912.9861 347291.9129 359648.2699 341022.5637 471399.7598 551554.7722 568395.2383 313936.7579 379234.9584 161468.4522 531242.3257 223722.5262 383006.4145 462210.2802 383534.0169 347624.8814 365532.8873 511435.8113 454070.9295 291567.6499 377827.8453 465198.2524 321154.2934 357666.3122 plasmenyl-PE 40:4; [M+H]+@7.67 71878.41238 44647.93968 46482.60287 31084.4129 65065.05172 62157.44161 62422.92422 46474.23891 41642.58512 68104.4543 105981.1686 49690.02058 47188.6072 20160.06836 93786.01552 34371.89738 59110.05959 47854.13527 47888.98311 62287.11644 57699.88732 86561.36605 48550.52033 51426.17421 46521.09757 69936.01351 42385.23695 52506.18358 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 CE(16:0); [M+NH4]+@11.03 642.6189 11.03 Time, min 246520 LMST01020005 LIPIDMAPS CE(17:1); [M+NH4]+@10.93 654.6189 10.93 Time, min 24779603 LMST01020023 LIPIDMAPS CE(18:0); [M+NH4]+@11.42 670.6502 11.42 Time, min 118246 LMST01020007 LIPIDMAPS CE(18:1); [M+NH4]+@11.05 668.6345 11.05 Time, min 5283632 LMST01020003 LIPIDMAPS CE(18:2); [M+NH4]+@10.79 666.6189 10.79 Time, min 5287939 LMST01020008 LIPIDMAPS CE(18:3); [M+NH4]+@10.54 664.6032 10.54 Time, min 6436907 LMST01020009 LIPIDMAPS CE(20:3); [M+NH4]+@10.82 692.6345 10.82 Time, min 14274976 LMST01020013 LIPIDMAPS CE(20:4); [M+NH4]+@10.65 690.6189 10.65 Time, min 6479222 LMST01020014 LIPIDMAPS CE(20:5); [M+NH4]+@10.45 688.6032 10.45 Time, min 10372299 LMST01020015 LIPIDMAPS CE(22:4); [M+NH4]+@10.93 718.6502 10.93 Time, min 16061341 LMST01020018 LIPIDMAPS CE(22:5); [M+NH4]+@10.75 716.6345 10.75 Time, min 42608400 LMST01020031 LIPIDMAPS CE(22:6); [M+NH4]+@10.54 714.6189 10.54 Time, min 14274978 LMST01020019 LIPIDMAPS DG 30:0; [M+NH4]+@7.40 558.5094 7.4 Time, min DG(30:0) LipidMaps Bulk ID DG 30:1; [M+NH4]+@6.93 556.4938 6.93 Time, min DG(30:1) LipidMaps Bulk ID DG 30:2; [M+NH4]+@6.46 554.4782 6.46 Time, min DG(30:2) LipidMaps Bulk ID DG 31:0; [M+NH4]+@7.63 572.5251 7.63 Time, min DG(31:0) LipidMaps Bulk ID DG 32:0; [M+NH4]+@7.90 586.5407 7.9 Time, min DG(32:0) LipidMaps Bulk ID DG 32:1; [M+NH4]+@7.50 584.5251 7.5 Time, min DG(32:1) LipidMaps Bulk ID DG 32:2; [M+NH4]+@7.09 582.5094 7.09 Time, min DG(32:2) LipidMaps Bulk ID DG 33:0; [M+NH4]+@8.12 600.5564 8.12 Time, min DG(33:0) LipidMaps Bulk ID DG 33:1; [M+NH4]+@7.76 598.5407 7.76 Time, min DG(33:1) LipidMaps Bulk ID DG 34:0; [M+NH4]+@8.42 614.572 8.42 Time, min DG(34:0) LipidMaps Bulk ID DG 34:2; [M+NH4]+@7.61 610.5407 7.61 Time, min DG(34:2) LipidMaps Bulk ID DG 34:3; [M+NH4]+@7.22 608.5251 7.22 Time, min DG(34:3) LipidMaps Bulk ID DG 35:1; [M+NH4]+@8.25 626.572 8.25 Time, min DG(35:1) LipidMaps Bulk ID DG 35:2; [M+NH4]+@7.87 624.5564 7.87 Time, min DG(35:2) LipidMaps Bulk ID DG 35:3; [M+NH4]+@7.51 622.5407 7.51 Time, min DG(35:3) LipidMaps Bulk ID DG 36:0; [M+NH4]+@8.88 642.6033 8.88 Time, min DG(36:0) LipidMaps Bulk ID DG 36:1; [M+NH4]+@8.50 640.5877 8.5 Time, min DG(36:1) LipidMaps Bulk ID DG 36:2; [M+NH4]+@8.07 638.572 8.07 Time, min DG(36:2) LipidMaps Bulk ID DG 36:3; [M+NH4]+@7.71 636.5564 7.71 Time, min DG(36:3) LipidMaps Bulk ID DG 36:4; [M+NH4]+@7.38 634.5407 7.38 Time, min DG(36:4) LipidMaps Bulk ID DG 36:5; [M+NH4]+@6.99 632.5251 6.99 Time, min DG(36:5) LipidMaps Bulk ID DG 38:1; [M+NH4]+@8.95 668.6189 8.95 Time, min DG(38:1) LipidMaps Bulk ID DG 38:2; [M+NH4]+@8.58 666.6033 8.58 Time, min DG(38:2) LipidMaps Bulk ID DG 38:3; [M+NH4]+@8.35 664.5877 8.35 Time, min DG(38:3) LipidMaps Bulk ID DG 38:4; [M+NH4]+@8.04 662.572 8.04 Time, min DG(38:4) LipidMaps Bulk ID DG 38:5; [M+NH4]+@7.69 660.5564 7.69 Time, min DG(38:5) LipidMaps Bulk ID DG 38:6; [M+NH4]+@7.38 658.5407 7.38 Time, min DG(38:6) LipidMaps Bulk ID DG 38:7; [M+NH4]+@6.93 656.5251 6.93 Time, min DG(38:7) LipidMaps Bulk ID DG 40:4; [M+NH4]+@8.49 690.6033 8.49 Time, min DG(40:4) LipidMaps Bulk ID DG 40:5; [M+NH4]+@8.08 688.5877 8.08 Time, min DG(40:5) LipidMaps Bulk ID DG 40:6; [M+NH4]+@7.77 686.572 7.77 Time, min DG(40:6) LipidMaps Bulk ID DG 40:7; [M+NH4]+@7.60 684.5564 7.6 Time, min DG(40:7) LipidMaps Bulk ID DG 40:8; [M+NH4]+@7.18 682.5407 7.18 Time, min DG(40:8) LipidMaps Bulk ID PC 19:1; [M+H]+@1.78 550.3509 1.78 Time, min 24778752 LMGP01010668 LIPIDMAPS PC 30:0; [M+H]+@5.87 706.5387 5.87 Time, min PC(30:0) LipidMaps Bulk ID PC 30:1; [M+H]+@5.37 704.523 5.37 Time, min PC(30:1) LipidMaps Bulk ID PC 32:0; [M+H]+@6.48 734.57 6.48 Time, min PC(32:0) LipidMaps Bulk ID PC 32:2; [M+H]+@5.50 730.5387 5.5 Time, min PC(32:2) LipidMaps Bulk ID PC 32:3; [M+H]+@5.09 728.523 5.09 Time, min PC(32:3) LipidMaps Bulk ID PC 33:1; [M+H]+@6.36 746.57 6.36 Time, min PC(33:1) LipidMaps Bulk ID PC 33:2; [M+H]+@5.85 744.5543 5.85 Time, min PC(33:2) LipidMaps Bulk ID PC 34:1; [M+H]+@6.61 760.5856 6.61 Time, min PC(34:1) LipidMaps Bulk ID PC 34:2; [M+H]+@6.16 758.57 6.16 Time, min PC(34:2) LipidMaps Bulk ID PC 34:3; [M+H]+@5.73 756.5543 5.73 Time, min PC(34:3) LipidMaps Bulk ID PC 34:4; [M+H]+@5.40 754.5387 5.4 Time, min PC(34:4) LipidMaps Bulk ID PC 35:2; [M+H]+@6.45 772.5856 6.45 Time, min PC(35:2) LipidMaps Bulk ID PC 35:3; [M+H]+@6.01 770.57 6.01 Time, min PC(35:3) LipidMaps Bulk ID PC 35:4; [M+H]+@5.78 768.5543 5.78 Time, min PC(35:4) LipidMaps Bulk ID PC 35:5; [M+H]+@5.47 766.5387 5.47 Time, min PC(35:5) LipidMaps Bulk ID PC 36:1; [M+H]+@7.22 788.617 7.22 Time, min PC(36:1) LipidMaps Bulk ID PC 36:2; [M+H]+@6.81 786.6013 6.81 Time, min PC(36:2) LipidMaps Bulk ID PC 36:3; [M+H]+@6.31 784.5856 6.31 Time, min PC(36:3) LipidMaps Bulk ID PC 36:4; [M+H]+@5.97 782.57 5.97 Time, min PC(36:4) LipidMaps Bulk ID PC 36:5; [M+H]+@5.70 780.5543 5.7 Time, min PC(36:5) LipidMaps Bulk ID PC 36:6; [M+H]+@5.35 778.5387 5.35 Time, min PC(36:6) LipidMaps Bulk ID PC 38:2; [M+H]+@7.31 814.6326 7.31 Time, min PC(38:2) LipidMaps Bulk ID PC 38:3; [M+H]+@7.00 812.617 7 Time, min PC(38:3) LipidMaps Bulk ID PC 38:4; [M+H]+@6.75 810.6013 6.75 Time, min PC(38:4) LipidMaps Bulk ID PC 38:5; [M+H]+@6.30 808.5856 6.3 Time, min PC(38:5) LipidMaps Bulk ID PC 38:6; [M+H]+@6.06 806.57 6.06 Time, min PC(38:6) LipidMaps Bulk ID PC 40:4; [M+H]+@7.27 838.6326 7.27 Time, min PC(40:4) LipidMaps Bulk ID PC 40:5; [M+H]+@6.82 836.617 6.82 Time, min PC(40:5) LipidMaps Bulk ID PC 40:6; [M+H]+@6.65 834.6013 6.65 Time, min PC(40:6) LipidMaps Bulk ID PC 40:8; [M+H]+@5.75 830.57 5.75 Time, min PC(40:8) LipidMaps Bulk ID PC 42:5; [M+H]+@7.46 864.6482 7.46 Time, min PC(42:5) LipidMaps Bulk ID PE 19:2; [M+H]+@1.39 506.2883 1.39 Time, min PE 19:2 LipidBLAST PE 21:4; [M+H]+@1.33 530.2883 1.33 Time, min PE 21:4 LipidBLAST PE 23:4; [M+H]+@1.89 558.3196 1.89 Time, min PE 23:4 LipidBLAST PE 32:2; [M+H]+@5.73 688.4917 5.73 Time, min PE(32:2) LipidMaps Bulk ID PE 34:1; [M+H]+@6.81 718.5387 6.81 Time, min PE(34:1) LipidMaps Bulk ID PE 34:2; [M+H]+@6.38 716.523 6.38 Time, min PE(34:2) LipidMaps Bulk ID PE 35:2; [M+H]+@6.68 730.5387 6.68 Time, min PE(35:2) LipidMaps Bulk ID PE 36:0; [M+H]+@7.82 748.5856 7.82 Time, min PE(36:0) LipidMaps Bulk ID PE 36:1; [M+H]+@7.39 746.57 7.39 Time, min PE(36:1) LipidMaps Bulk ID PE 36:2; [M+H]+@6.96 744.5543 6.96 Time, min PE(36:2) LipidMaps Bulk ID PE 36:4; [M+H]+@6.35 740.523 6.35 Time, min PE(36:4) LipidMaps Bulk ID PE 37:4; [M+H]+@6.64 754.5387 6.64 Time, min PE(37:4) LipidMaps Bulk ID PE 38:4; [M+H]+@6.98 768.5543 6.98 Time, min PE(38:4) LipidMaps Bulk ID PE 40:1; [M+H]+@8.37 802.6326 8.37 Time, min PE(40:1) LipidMaps Bulk ID PE 40:4; [M+H]+@7.38 796.5856 7.38 Time, min PE(40:4) LipidMaps Bulk ID PE 40:5; [M+H]+@7.24 794.57 7.24 Time, min PE(40:5) LipidMaps Bulk ID PE 40:6; [M+H]+@6.88 792.5543 6.88 Time, min PE(40:6) LipidMaps Bulk ID SM 30:1; [M]+@4.29 647.5128 4.29 Time, min SM 30:1 LipidBLAST SM 31:1; [M]+@4.74 661.5284 4.74 Time, min SM 31:1 LipidBLAST SM 32:1; [M]+@5.08 675.5441 5.08 Time, min 11433862 SM 32:2; [M]+@4.48 673.5284 4.48 Time, min SM 32:2 LipidBLAST SM 33:0; [M]+@5.73 691.5754 5.73 Time, min SM 33:0 LipidBLAST SM 33:1; [M]+@5.44 689.5597 5.44 Time, min 52931139 SM 33:2; [M]+@4.94 687.5441 4.94 Time, min SM 33:2 LipidBLAST SM 34:0; [M]+@6.04 705.5911 6.04 Time, min 9939965 SM 34:1; [M]+@5.75 703.5754 5.75 Time, min SM 34:1 LipidBLAST SM 34:2; [M]+@5.27 701.5597 5.27 Time, min SM 34:2 LipidBLAST SM 35:2; [M]+@5.65 715.5754 5.65 Time, min SM 35:2 LipidBLAST SM 36:0; [M]+@6.74 733.6224 6.74 Time, min 52931167 SM 36:1; [M]+@6.43 731.6067 6.43 Time, min 44260139 SM 36:2; [M]+@5.94 729.5911 5.94 Time, min SM 36:2 LipidBLAST SM 37:1; [M]+@6.70 745.6224 6.7 Time, min SM 37:1 LipidBLAST SM 37:2; [M]+@6.33 743.6067 6.33 Time, min SM 37:2 LipidBLAST SM 38:0; [M]+@6.20 761.6536 6.2 Time, min 44260131 SM 38:1; [M]+@7.12 759.638 7.12 Time, min SM 38:1 LipidBLAST SM 38:2; [M]+@6.66 757.6224 6.66 Time, min SM 38:2 LipidBLAST SM 39:1; [M]+@7.40 773.6536 7.4 Time, min SM 39:1 LipidBLAST SM 39:2; [M]+@7.01 771.638 7.01 Time, min SM 39:2 LipidBLAST SM 40:0; [M]+@7.89 789.6849 7.89 Time, min 44260132 SM 40:1; [M]+@7.65 787.6693 7.65 Time, min SM 40:1 LipidBLAST SM 40:2; [M]+@7.20 785.6536 7.2 Time, min SM 40:2 LipidBLAST SM 40:4; [M]+@6.30 781.6224 6.3 Time, min SM 40:4 LipidBLAST SM 41:1; [M]+@7.90 801.6849 7.9 Time, min SM 41:1 LipidBLAST SM 41:2; [M]+@7.43 799.6693 7.43 Time, min SM 41:2 LipidBLAST SM 41:5; [M]+@6.60 793.6224 6.6 Time, min SM 41:5 LipidBLAST SM 42:1; [M]+@8.16 815.7006 8.16 Time, min 44260133 SM 42:2; [M]+@7.70 813.6849 7.7 Time, min SM 42:2 LipidBLAST SM 42:4; [M]+@6.86 809.6536 6.86 Time, min SM 42:4 LipidBLAST SM 42:5; [M]+@6.53 807.638 6.53 Time, min SM 42:5 LipidBLAST SM 43:1; [M]+@8.34 829.7163 8.34 Time, min SM 43:1 LipidBLAST SM 43:2; [M]+@7.86 827.7006 7.86 Time, min SM 43:2 LipidBLAST SM 44:1; [M]+@8.66 843.7319 8.66 Time, min SM 44:1 LipidBLAST SM 44:2; [M]+@8.23 841.7163 8.23 Time, min SM 44:2 LipidBLAST TG 40:0; [M+NH4]+@9.50 712.6451 9.5 Time, min TG(40:0) LipidMaps Bulk ID TG 42:0; [M+NH4]+@9.79 740.6764 9.79 Time, min TG(42:0) LipidMaps Bulk ID TG 42:1; [M+NH4]+@9.53 738.6608 9.53 Time, min TG(42:1) LipidMaps Bulk ID TG 44:1; [M+NH4]+@9.83 766.6921 9.83 Time, min TG(44:1) LipidMaps Bulk ID TG 44:2; [M+NH4]+@9.56 764.6764 9.56 Time, min TG(44:2) LipidMaps Bulk ID TG 46:0; [M+NH4]+@10.35 796.739 10.35 Time, min TG(46:0) LipidMaps Bulk ID TG 46:1; [M+NH4]+@10.11 794.7233 10.11 Time, min TG(46:1) LipidMaps Bulk ID TG 46:2; [M+NH4]+@9.86 792.7077 9.86 Time, min TG(46:2) LipidMaps Bulk ID TG 48:0; [M+NH4]+@10.60 824.7702 10.6 Time, min TG(48:0) LipidMaps Bulk ID TG 48:1; [M+NH4]+@10.36 822.7546 10.36 Time, min TG(48:1) LipidMaps Bulk ID TG 48:2; [M+NH4]+@10.15 820.739 10.15 Time, min TG(48:2) LipidMaps Bulk ID TG 48:3; [M+NH4]+@9.91 818.7233 9.91 Time, min TG(48:3) LipidMaps Bulk ID TG 49:0; [M+NH4]+@10.72 838.7859 10.72 Time, min TG(49:0) LipidMaps Bulk ID TG 49:1; [M+NH4]+@10.51 836.7702 10.51 Time, min TG(49:1) LipidMaps Bulk ID TG 49:2; [M+NH4]+@10.29 834.7546 10.29 Time, min TG(49:2) LipidMaps Bulk ID TG 50:0; [M+NH4]+@10.84 852.8015 10.84 Time, min TG(50:0) LipidMaps Bulk ID TG 50:1; [M+NH4]+@10.59 850.7859 10.59 Time, min TG(50:1) LipidMaps Bulk ID TG 50:2; [M+NH4]+@10.39 848.7702 10.39 Time, min TG(50:2) LipidMaps Bulk ID TG 50:3; [M+NH4]+@10.18 846.7546 10.18 Time, min TG(50:3) LipidMaps Bulk ID TG 50:4; [M+NH4]+@9.97 844.739 9.97 Time, min TG(50:4) LipidMaps Bulk ID TG 50:5; [M+NH4]+@9.77 842.7233 9.77 Time, min TG(50:5) LipidMaps Bulk ID TG 51:1; [M+NH4]+@10.75 864.8015 10.75 Time, min TG(51:1) LipidMaps Bulk ID TG 51:2; [M+NH4]+@10.55 862.7859 10.55 Time, min TG(51:2) LipidMaps Bulk ID TG 51:3; [M+NH4]+@10.36 860.7702 10.36 Time, min TG(51:3) LipidMaps Bulk ID TG 52:0; [M+NH4]+@11.09 880.8328 11.09 Time, min TG(52:0) LipidMaps Bulk ID TG 52:1; [M+NH4]+@10.85 878.8172 10.85 Time, min TG(52:1) LipidMaps Bulk ID TG 52:2; [M+NH4]+@10.63 876.8015 10.63 Time, min TG(52:2) LipidMaps Bulk ID TG 52:3; [M+NH4]+@10.43 874.7859 10.43 Time, min TG(52:3) LipidMaps Bulk ID TG 52:4; [M+NH4]+@10.23 872.7702 10.23 Time, min TG(52:4) LipidMaps Bulk ID TG 52:5; [M+NH4]+@10.03 870.7546 10.03 Time, min TG(52:5) LipidMaps Bulk ID TG 52:6; [M+NH4]+@9.85 868.739 9.85 Time, min TG(52:6) LipidMaps Bulk ID TG 53:0; [M+NH4]+@11.20 894.8484 11.2 Time, min TG(53:0) LipidMaps Bulk ID TG 53:1; [M+NH4]+@10.98 892.8328 10.98 Time, min TG(53:1) LipidMaps Bulk ID TG 53:2; [M+NH4]+@10.79 890.8172 10.79 Time, min TG(53:2) LipidMaps Bulk ID TG 53:3; [M+NH4]+@10.59 888.8015 10.59 Time, min TG(53:3) LipidMaps Bulk ID TG 53:4; [M+NH4]+@10.40 886.7859 10.4 Time, min TG(53:4) LipidMaps Bulk ID TG 53:5; [M+NH4]+@10.20 884.7702 10.2 Time, min TG(53:5) LipidMaps Bulk ID TG 54:0; [M+NH4]+@11.33 908.8641 11.33 Time, min TG(54:0) LipidMaps Bulk ID TG 54:1; [M+NH4]+@11.11 906.8484 11.11 Time, min TG(54:1) LipidMaps Bulk ID TG 54:2; [M+NH4]+@10.90 904.8328 10.9 Time, min TG(54:2) LipidMaps Bulk ID TG 54:3; [M+NH4]+@10.70 902.8172 10.7 Time, min TG(54:3) LipidMaps Bulk ID TG 54:4; [M+NH4]+@10.48 900.8015 10.48 Time, min TG(54:4) LipidMaps Bulk ID TG 54:5; [M+NH4]+@10.29 898.7859 10.29 Time, min TG(54:5) LipidMaps Bulk ID TG 54:6; [M+NH4]+@10.09 896.7702 10.09 Time, min TG(54:6) LipidMaps Bulk ID TG 54:7; [M+NH4]+@9.92 894.7546 9.92 Time, min TG(54:7) LipidMaps Bulk ID TG 54:8; [M+NH4]+@9.73 892.739 9.73 Time, min TG(54:8) LipidMaps Bulk ID TG 56:0; [M+NH4]+@11.59 936.8954 11.59 Time, min TG(56:0) LipidMaps Bulk ID TG 56:1; [M+NH4]+@11.35 934.8797 11.35 Time, min TG(56:1) LipidMaps Bulk ID TG 56:2; [M+NH4]+@11.13 932.8641 11.13 Time, min TG(56:2) LipidMaps Bulk ID TG 56:3; [M+NH4]+@10.93 930.8484 10.93 Time, min TG(56:3) LipidMaps Bulk ID TG 56:4; [M+NH4]+@10.76 928.8328 10.76 Time, min TG(56:4) LipidMaps Bulk ID TG 56:5; [M+NH4]+@10.60 926.8172 10.6 Time, min TG(56:5) LipidMaps Bulk ID TG 56:6; [M+NH4]+@10.43 924.8015 10.43 Time, min TG(56:6) LipidMaps Bulk ID TG 56:7; [M+NH4]+@10.24 922.7859 10.24 Time, min TG(56:7) LipidMaps Bulk ID TG 56:8; [M+NH4]+@10.05 920.7702 10.05 Time, min TG(56:8) LipidMaps Bulk ID TG 56:9; [M+NH4]+@9.85 918.7546 9.85 Time, min TG(56:9) LipidMaps Bulk ID TG 57:7; [M+NH4]+@10.39 936.8015 10.39 Time, min TG(57:7) LipidMaps Bulk ID TG 58:10; [M+NH4]+@9.98 944.7702 9.98 Time, min TG(58:10) LipidMaps Bulk ID TG 58:11; [M+NH4]+@9.80 942.7546 9.8 Time, min TG(58:11) LipidMaps Bulk ID TG 58:2; [M+NH4]+@11.36 960.8954 11.36 Time, min TG(58:2) LipidMaps Bulk ID TG 58:3; [M+NH4]+@11.16 958.8797 11.16 Time, min TG(58:3) LipidMaps Bulk ID TG 58:4; [M+NH4]+@10.99 956.8641 10.99 Time, min TG(58:4) LipidMaps Bulk ID TG 58:5; [M+NH4]+@10.85 954.8484 10.85 Time, min TG(58:5) LipidMaps Bulk ID TG 58:6; [M+NH4]+@10.65 952.8328 10.65 Time, min TG(58:6) LipidMaps Bulk ID TG 58:7; [M+NH4]+@10.49 950.8172 10.49 Time, min TG(58:7) LipidMaps Bulk ID TG 58:8; [M+NH4]+@10.29 948.8015 10.29 Time, min TG(58:8) LipidMaps Bulk ID TG 58:9; [M+NH4]+@10.15 946.7859 10.15 Time, min TG(58:9) LipidMaps Bulk ID TG 62:1; [M+NH4]+@12.22 1018.9736 12.22 Time, min TG(62:1) LipidMaps Bulk ID lysoPC 14:0; [M+H]+@1.00 468.309 1 Time, min LPC(14:0) LipidMaps Bulk ID lysoPC 15:0; [M+H]+@1.24 482.3246 1.24 Time, min 24779458 LMGP01050016 LIPIDMAPS lysoPC 16:0; [M+H]+@1.55 496.3403 1.55 Time, min LPC(16:0) LipidMaps Bulk ID lysoPC 16:1; [M+H]+@1.15 494.3246 1.15 Time, min LPC(16:1) LipidMaps Bulk ID lysoPC 17:1; [M+H]+@1.42 508.3403 1.42 Time, min LPC(17:1) LipidMaps Bulk ID lysoPC 18:0; [M+H]+@2.31 524.3716 2.31 Time, min LPC(18:0) LipidMaps Bulk ID lysoPC 18:1; [M+H]+@1.65 522.356 1.65 Time, min LPC(18:1) LipidMaps Bulk ID lysoPC 18:2; [M+H]+@1.25 520.3403 1.25 Time, min LPC(18:2) LipidMaps Bulk ID lysoPC 18:3; [M+H]+@1.06 518.3246 1.06 Time, min LPC(18:3) LipidMaps Bulk ID lysoPC 19:0; [M+H]+@2.81 538.3873 2.81 Time, min 24779472 LMGP01050041 LIPIDMAPS lysoPC 20:0; [M+H]+@3.25 552.4029 3.25 Time, min 24779473 LMGP01050045 LIPIDMAPS lysoPC 20:1; [M+H]+@2.51 550.3873 2.51 Time, min LPC(20:1) LipidMaps Bulk ID lysoPC 20:3; [M+H]+@1.43 546.356 1.43 Time, min LPC(20:3) LipidMaps Bulk ID lysoPC 20:4; [M+H]+@1.30 544.3403 1.3 Time, min LPC(20:4) LipidMaps Bulk ID lysoPC 20:5; [M+H]+@1.02 542.3246 1.02 Time, min 11757087 LMGP01050050 LIPIDMAPS lysoPC 22:0; [M+H]+@4.21 580.4342 4.21 Time, min 24779479 LMGP01050053 LIPIDMAPS lysoPC 22:6; [M+H]+@1.18 568.3403 1.18 Time, min 10415542 LMGP01050056 LIPIDMAPS lysoPE 16:0; [M+H]+@1.68 454.2934 1.68 Time, min LPE(16:0) LipidMaps Bulk ID lysoPE 18:0; [M+H]+@2.48 482.3246 2.48 Time, min LPE(18:0) LipidMaps Bulk ID lysoPE 18:2; [M+H]+@1.32 478.2934 1.32 Time, min LPE(18:2) LipidMaps Bulk ID lysoPE 20:4; [M+H]+@1.26 502.2934 1.26 Time, min LPE(20:4) LipidMaps Bulk ID plasmenyl-PE 32:1; [M+H]+@6.57 674.5125 6.57 Time, min PE(P-32:1) LipidMaps Bulk ID plasmenyl-PE 34:1; [M+H]+@7.11 702.5438 7.11 Time, min PE(P-34:1) LipidMaps Bulk ID plasmenyl-PE 34:2; [M+H]+@6.67 700.5281 6.67 Time, min PE(P-34:2) LipidMaps Bulk ID plasmenyl-PE 36:1; [M+H]+@7.68 730.5751 7.68 Time, min PE(P-36:1) LipidMaps Bulk ID plasmenyl-PE 36:2; [M+H]+@7.26 728.5594 7.26 Time, min PE(P-36:2) LipidMaps Bulk ID plasmenyl-PE 36:4; [M+H]+@6.63 724.5281 6.63 Time, min PE(P-36:4) LipidMaps Bulk ID plasmenyl-PE 36:5; [M+H]+@6.30 722.5125 6.3 Time, min PE(P-36:5) LipidMaps Bulk ID plasmenyl-PE 38:1; [M+H]+@8.18 758.6063 8.18 Time, min PE(P-38:1) LipidMaps Bulk ID plasmenyl-PE 38:2; [M+H]+@7.82 756.5907 7.82 Time, min PE(P-38:2) LipidMaps Bulk ID plasmenyl-PE 38:3; [M+H]+@7.49 754.5751 7.49 Time, min PE(P-38:3) LipidMaps Bulk ID plasmenyl-PE 38:4; [M+H]+@7.25 752.5594 7.25 Time, min PE(P-38:4) LipidMaps Bulk ID plasmenyl-PE 40:4; [M+H]+@7.67 780.5907 7.67 Time, min PE(P-40:4) LipidMaps Bulk ID METABOLITES_END #END