#METABOLOMICS WORKBENCH efahy_20230425_000095 DATATRACK_ID:3992 STUDY_ID:ST002677 ANALYSIS_ID:AN004349 PROJECT_ID:PR001020 VERSION 1 CREATED_ON April 25, 2023, 7:56 am #PROJECT PR:PROJECT_TITLE Molecular Transducer of Physical Activity Consortium PR:PROJECT_SUMMARY MoTrPAC is a national research consortium designed to discover and perform PR:PROJECT_SUMMARY preliminary characterization of the range of molecular transducers (the PR:PROJECT_SUMMARY "molecular map") that underlie the effects of physical activity in humans. The PR:PROJECT_SUMMARY program's goal is to study the molecular changes that occur during and after PR:PROJECT_SUMMARY exercise and ultimately to advance the understanding of how physical activity PR:PROJECT_SUMMARY improves and preserves health. Preclinical and clinical studies will examine the PR:PROJECT_SUMMARY systemic effects of endurance and resistance exercise across a range of ages and PR:PROJECT_SUMMARY fitness levels by molecular probing of multiple tissues before and after acute PR:PROJECT_SUMMARY and chronic exercise. This program is the largest targeted NIH investment of PR:PROJECT_SUMMARY funds into the mechanisms of how physical activity improves health and prevents PR:PROJECT_SUMMARY disease. The MoTrPAC program is supported by the NIH Common Fund and is managed PR:PROJECT_SUMMARY by a trans-agency working group representing multiple NIH institutes and PR:PROJECT_SUMMARY centers, led by the NIH Office of Strategic Coordination, National Institute of PR:PROJECT_SUMMARY Arthritis and Musculoskeletal and Skin Diseases, National Institute of Diabetes PR:PROJECT_SUMMARY and Digestive and Kidney Diseases, National Institute on Aging, and National PR:PROJECT_SUMMARY Institute of Biomedical Imaging and Bioengineering. MoTrPAC Steering Committee: PR:PROJECT_SUMMARY Wendy Kohrt, Chair, Russ Tracy, Co-Chair; NIH Program Manager, Concepcion PR:PROJECT_SUMMARY Nierras. Euan Ashley and Matthew Wheeler are the PIs for the Motrpac PR:PROJECT_SUMMARY Bioinformatics / Data Coordination Center. PR:INSTITUTE MoTrPAC PR:LAST_NAME Ashley PR:FIRST_NAME Euan A. PR:ADDRESS 300 Pasteur Dr Rm A265. MC 5319. Stanford CA 94305. USA PR:EMAIL euan@stanford.edu PR:PHONE (650) 498-4900 #STUDY ST:STUDY_TITLE MoTrPAC: Endurance exercise training study in young adult rats, Rat Liver Powder ST:STUDY_TITLE - Untargeted Lipidomics, Reversed-Phase Negative ST:STUDY_SUMMARY The goal of the endurance exercise training study in young adult rats (internal ST:STUDY_SUMMARY code: PASS1B-06) was to perform exercise training studies in adult (6 month) ST:STUDY_SUMMARY F344 rats, and from these rats collect as many tissues as feasible in order to ST:STUDY_SUMMARY provide high quality samples for detailed analysis by chemical analysis sites. ST:STUDY_SUMMARY Tissues were collected from 10-12 rats sedentary control rats concurrent with ST:STUDY_SUMMARY the collection of the 8-week training groups. The 8-week training group and ST:STUDY_SUMMARY controls were from the same cohort and same age at euthanasia (either 8). For ST:STUDY_SUMMARY the older age group, an additional set of controls (n=5-6) were collected with ST:STUDY_SUMMARY the 1-2 week training group. Rats were either sedentary or underwent an exercise ST:STUDY_SUMMARY training program. Rats were exercised on the rodent treadmill 5 days per week ST:STUDY_SUMMARY using a progressive training protocol designed to exercise the rats at ST:STUDY_SUMMARY approximately 70% of VO2max as outlined in the Table on the next page. Training ST:STUDY_SUMMARY was performed no earlier than 10:00 am and no later than 5:00 pm over 5 ST:STUDY_SUMMARY consecutive days per week. Training was initiated with the treadmill set at 70% ST:STUDY_SUMMARY of VO2 max (see tables) and 5 degrees grade for 20 minutes. The duration of ST:STUDY_SUMMARY exercise was increased by one minute each day until day 31 of training (start of ST:STUDY_SUMMARY week 7), when a duration of 50 min was reached. Speed and grade of each training ST:STUDY_SUMMARY session increased in larger increments due to treadmill parameters. The highest ST:STUDY_SUMMARY intensity and duration of training began on day 31. This intensity was ST:STUDY_SUMMARY maintained for the final 10 days of the protocol to ensure steady state had been ST:STUDY_SUMMARY achieved. If any rats were unable to perform at least 4 days of training per ST:STUDY_SUMMARY week they were removed from the study and euthanized. It is important to note ST:STUDY_SUMMARY that the starting treadmill speed varied depending on the sex and age of the ST:STUDY_SUMMARY rat. The initial and maximum speeds were based on VO2max measurements obtained ST:STUDY_SUMMARY during the pre-training testing of the compliant rats. Rats assigned to the ST:STUDY_SUMMARY control group followed a schedule similar to the training group. They were ST:STUDY_SUMMARY placed in one lane on the treadmill for 15 minutes/day, 5 days per week. The ST:STUDY_SUMMARY treadmill was set at 0 m/min at an incline that corresponded to the incline ST:STUDY_SUMMARY being used by the training group. ST:INSTITUTE Georgia Institute of Technology ST:DEPARTMENT Department of Chemistry and Biochemistry ST:LABORATORY Systems Mass Spectrometry Core (SyMSC) ST:LAST_NAME Facundo ST:FIRST_NAME Fernandez ST:ADDRESS 901 Atlantic Dr NW, Atlanta, GA 30332-0400 ST:EMAIL facundo.fernandez@chemistry.gatech.edu ST:PHONE (404) 385-4432 #SUBJECT SU:SUBJECT_TYPE Mammal SU:SUBJECT_SPECIES Rattus norvegicus SU:TAXONOMY_ID 10116 #SUBJECT_SAMPLE_FACTORS: SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Additional sample data SUBJECT_SAMPLE_FACTORS - QC01 Group:QC-Pooled | Timepoint:0 hour | Sex:- raw_file=QC01.raw SUBJECT_SAMPLE_FACTORS - SampleBlank01 Group:QC-Blank | Timepoint:0 hour | Sex:- raw_file=SampleBlank01.raw SUBJECT_SAMPLE_FACTORS - SampleBlank02 Group:QC-Blank | Timepoint:0 hour | Sex:- raw_file=SampleBlank02.raw SUBJECT_SAMPLE_FACTORS - SampleBlank03 Group:QC-Blank | Timepoint:0 hour | Sex:- raw_file=SampleBlank03.raw SUBJECT_SAMPLE_FACTORS - SED_Reference_Liver 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Group:QC-Pooled | Timepoint:0 hour | Sex:- raw_file=QC07.raw SUBJECT_SAMPLE_FACTORS - QC08 Group:QC-Pooled | Timepoint:0 hour | Sex:- raw_file=QC08.raw SUBJECT_SAMPLE_FACTORS - SED_Reference_Liver02 Group:QC-Reference | Timepoint:0 hour | Sex:- raw_file=SED_Reference_Liver02.raw SUBJECT_SAMPLE_FACTORS - IPE_Reference_Liver02 Group:QC-Reference | Timepoint:0 hour | Sex:- raw_file=IPE_Reference_Liver02.raw SUBJECT_SAMPLE_FACTORS - SampleBlank04 Group:QC-Blank | Timepoint:0 hour | Sex:- raw_file=SampleBlank04.raw SUBJECT_SAMPLE_FACTORS - SampleBlank05 Group:QC-Blank | Timepoint:0 hour | Sex:- raw_file=SampleBlank05.raw SUBJECT_SAMPLE_FACTORS - SampleBlank06 Group:QC-Blank | Timepoint:0 hour | Sex:- raw_file=SampleBlank06.raw SUBJECT_SAMPLE_FACTORS - QC09 Group:QC-Pooled | Timepoint:0 hour | Sex:- raw_file=QC09.raw #COLLECTION CO:SAMPLE_TYPE Liver #TREATMENT TR:TREATMENT_SUMMARY - #SAMPLEPREP SP:SAMPLEPREP_SUMMARY IPA extraction with three cycles of freeze/thaw(with sonication) #CHROMATOGRAPHY CH:CHROMATOGRAPHY_SUMMARY global lipid separation CH:CHROMATOGRAPHY_TYPE Reversed phase CH:INSTRUMENT_NAME Vanquish horizon LC CH:COLUMN_NAME Thermo Accucore C30 (100 x 2.1mm,2.6um) CH:SOLVENT_A 40% water/60% acetonitrile; 10 mM ammonium formate; 0.1% formic acid CH:SOLVENT_B 10% acetonitrile/90% isopropanol; 10 mM ammonium formate; 0.1% formic acid CH:FLOW_GRADIENT t=0 min: 80%/20% (%A/%B) @ 0.4 ml/min | t=1 min: 40%/60% (%A/%B) @ 0.4 ml/min | CH:FLOW_GRADIENT t=5 min: 30%/70% (%A/%B) @ 0.4 ml/min | t=8 min: 10%/90% (%A/%B) @ 0.4 ml/min | CH:FLOW_GRADIENT t=8.2 min: 0%/100% (%A/%B) @ 0.4 ml/min | t=10.5 min: 0%/100% (%A/%B) @ 0.4 CH:FLOW_GRADIENT ml/min | t=10.7 min: 80%/20% (%A/%B) @ 0.4 ml/min | t=12 min: 80%/20% (%A/%B) @ CH:FLOW_GRADIENT 0.4 ml/min CH:FLOW_RATE 0.4 ml/min CH:COLUMN_TEMPERATURE 50C #ANALYSIS AN:ANALYSIS_TYPE MS #MS MS:INSTRUMENT_TYPE Orbitrap MS:INSTRUMENT_NAME Thermo Q Exactive HF hybrid Orbitrap MS:MS_TYPE ESI MS:ION_MODE NEGATIVE MS:MS_RESULTS_FILE ST002677_AN004349_results.txt UNITS:peak area Has m/z:Yes Has RT:Yes RT units:Minutes #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS peak area MS_METABOLITE_DATA_START Samples 90217016809 90218016809 90222016809 90223016809 90225016809 90227016809 90229016809 90232016809 90237016809 90239016809 90245016809 90248016809 90251016809 90252016809 90254016809 90258016809 90259016809 90265016809 90266016809 90267016809 90280016809 90281016809 90283016809 90289016809 90292016809 90406016809 90410016809 90412016809 90416016809 90420016809 90421016809 90422016809 90423016809 90426016809 90430016809 90439016809 90441016809 90444016809 90449016809 90450016809 90559016809 90560016809 90564016809 90567016809 90571016809 90576016809 90578016809 90581016809 90585016809 90587016809 IPE_Reference_Liver IPE_Reference_Liver02 SED_Reference_Liver SED_Reference_Liver02 QC01 QC02 QC03 QC04 QC05 QC06 QC07 QC08 QC09 SampleBlank01 SampleBlank02 SampleBlank03 SampleBlank04 SampleBlank05 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50426.1094 49530.76228 51065.03545 51378.02257 57102.11264 51757.03679 51629.19802 49068.31617 48991.32811 52263.02801 51038.67486 50316.12392 49265.81595 53733.34648 50206.86189 46856.84847 52083.44192 50826.6235 47817.42569 53014.7479 49295.38346 48268.28641 46719.25002 48884.1764 48450.18794 50558.36756 48310.36823 50244.8037 51928.7449 49086.27324 52068.52599 52013.63973 47918.70536 49952.32762 51157.47868 53153.4172 48493.24325 46537.18718 48423.83236 49016.33745 52477.03076 52837.66464 53508.37114 50861.01162 51510.07997 52848.33506 48685.21433 48352.2904 50958.47459 50990.76506 52365.10371 50813.80119 574.6515546 613.9694128 415.6518424 517.2627908 877.211424 652.146309 GTInternalStandard_PE(18:1(d7))>PE(18:1(9z,d7)/0:0)_and_PE(18:1(d7))>PE(0:0/18:1(9z,d7))_feature1 67664.28716 68002.44807 68833.55118 64717.64979 61619.6689 66928.48419 72835.95052 66338.27445 66809.4162 67966.15191 68617.03282 66706.83008 68040.92313 66545.39511 63627.4303 78529.60377 67094.94773 71986.82381 65733.74465 63913.34276 64542.40723 67069.51745 63057.90929 64626.51859 70467.23782 64984.1478 66024.23222 66716.62241 67895.41471 68452.0361 67430.99654 64521.92304 63952.44928 64416.08748 68855.40689 66893.7911 68794.10641 64901.63867 65075.06637 66827.63785 68827.18247 66926.91506 64993.16013 64870.87535 66062.28026 71420.07002 67194.83504 67824.37779 64238.95647 64006.67635 62118.28229 63155.97276 64001.44696 67506.82197 66746.57699 66699.00089 66042.51025 64693.93803 65687.47563 65846.9934 66925.0893 66286.85197 66367.93624 125.2256661 119.4558138 122.7225624 144.2996457 135.0081644 134.5664012 GTInternalStandard_PC(33:1(d7))>PC(15:0/18:1(9z,d7))_M+H2CO2_feature1 576603.5224 573064.6029 607517.2482 582545.058 605008.3116 583965.1862 580780.7524 556010.8092 603379.1481 600975.512 696432.9431 621700.6212 647139.1742 662977.4689 733747.2273 733260.9327 684589.4605 610761.67 628789.2554 648474.7187 669573.0344 581937.6632 518463.2297 582946.6201 627666.5584 746576.7723 619516.0199 657943.323 614504.8677 548196.109 609114.9121 616641.845 546577.3334 566187.0538 588082.7143 553113.7556 651534.9949 506916.9518 591720.6111 649763.7628 603124.288 732667.1904 664912.2967 607640.9892 728270.6426 637530.7319 763049.5261 686011.3678 580816.2764 614150.2351 657466.8403 695847.7702 635554.2412 692146.5078 579994.2741 626452.9963 714738.787 610499.7469 621836.5016 609592.4682 623245.846 607373.9587 646751.7908 169.447293 168.2744014 163.8873409 219.7504046 189.8438164 197.7099296 GTInternalStandard_PC(18:1(d7))>PC(18:1(9z,d7)/0:0)_and_PC(18:1(d7))>PC(0:0/18:1(9z,d7))_M+H2CO2_feature1 152892.1313 155956.2414 159625.2114 145636.6591 143779.9405 148387.5852 164627.2371 145661.6923 148740.0632 155184.8999 150888.3351 148261.4462 152371.08 143334.7611 146374.6198 179510.7782 148897.309 158287.4796 152508.8472 147950.8473 146766.8575 148397.4311 142721.5468 147288.6344 155293.4639 144027.518 146071.1994 151121.7 148568.2917 146915.8162 154197.4616 148113.0342 144127.8477 146721.4502 147754.0783 154030.6073 155922.5343 145660.7973 153203.4756 151426.8098 149000.4206 146220.0098 150970.5583 144398.5881 146117.579 157478.3985 156747.907 152163.792 149652.9531 145314.5976 143743.505 149951.1776 142545.0251 147756.2739 154545.6199 151066.6911 154959.5566 147069.8512 146517.6581 155009.6818 150136.5664 153762.6155 153545.7616 140.9071591 135.2617142 136.025766 160.5908956 153.110872 151.3195966 GTInternalStandard_PS(33:1(d7))>PS(15:0/18:1(9z,d7))_feature1 12913.86585 12829.74573 8030.218359 7002.644898 6236.82408 9306.842613 12489.85487 10420.38013 9641.244895 8419.642922 11050.53289 18298.0485 17670.9727 9707.017766 8709.80616 14024.31414 9934.976786 17464.09692 10229.91295 10788.63526 9342.05527 11758.08194 8262.273496 8264.527709 16717.66158 9116.291937 11018.72464 12450.63371 15231.75974 15188.76572 8864.276954 10596.02233 8902.357716 9050.949209 14391.06744 13293.07425 9932.348854 9018.20567 9412.197445 11678.86018 12565.20629 13675.64763 9320.644393 14044.68315 14216.27648 9294.173503 15575.64648 10405.10815 12225.33393 12980.44134 6565.992294 6067.045891 9725.553728 10424.29244 11637.97559 9781.591783 9773.516722 11408.40353 11233.43081 10810.70422 11207.2649 10432.30582 10365.2228 189.0288246 166.8436062 173.2145701 181.0750789 180.541876 175.6804342 SM(d44:2)_M+H2CO2_feature1 34836.7037 47358.88907 41830.07435 48217.21661 40167.69051 45423.59742 65510.79638 50168.80934 49428.06589 52366.12285 50496.28105 56066.7446 52325.86957 59537.17619 58008.01269 83368.90695 59388.82546 71615.40361 67570.3454 54549.98636 34914.65337 44897.3515 59431.98809 45193.2641 42258.11402 55868.59614 61690.18063 58065.74195 66264.38782 75388.92574 53644.26664 47229.92215 55428.63657 63288.23354 50565.41464 62634.50375 74452.11798 64102.66685 57531.48375 39368.45539 74619.44726 63028.74126 55367.1305 63219.13883 52980.23212 79135.22484 49767.89692 71278.15207 97409.5087 71854.29236 46573.90833 48042.06173 43005.29646 48578.97487 56556.55633 60644.07517 62765.38142 55811.34314 56053.56098 59213.3366 58551.10565 58802.09964 59716.06014 143.289564 124.4521881 134.8520759 145.2639282 151.8932499 142.2458309 SM(d44:1)_M+H2CO2_feature1 30033.26713 37878.70974 41307.16412 40476.63161 37496.15006 41889.9052 52561.7267 35775.81351 37700.28225 43172.67275 47734.07462 44050.26519 39564.30794 51671.87284 40583.76687 64459.96203 50863.23261 66786.88347 55260.002 53197.99411 27539.04845 32744.72647 55679.48733 42476.52444 34246.09468 42822.92682 54627.96423 52547.52323 61361.22236 55367.51252 47599.26196 39723.92314 45203.98006 57704.76623 43576.42379 60885.6932 56746.15108 56051.53368 45267.50434 35361.28942 65554.19991 49476.20719 43057.78953 63453.18669 46647.55959 67472.68002 50746.4288 60777.8424 87198.15912 71581.39761 29752.33692 38995.01581 29083.78953 28423.16636 49641.96714 56255.13803 58701.63467 41498.07619 44736.78416 51891.53183 52386.3134 52506.81671 54368.7789 198.4428298 177.8864772 194.2117124 243.4815463 208.5382325 205.4781657 SM(d43:2)_feature2 33338.67351 42939.88528 44687.73322 45819.67481 40438.1548 44026.00869 48547.65605 42265.05204 45203.64698 44406.8613 41682.70932 39269.29482 39370.23537 35672.1436 41305.62512 55452.16331 39036.05988 55677.5279 53286.09366 44556.77998 31343.15866 41835.8562 49888.80585 36147.73004 32602.59492 33423.81185 48575.69971 49483.65307 45692.66227 57642.71372 43630.89841 40278.10058 45826.08715 50656.24013 37372.58388 54629.47736 48371.40213 50474.63667 46838.61112 31389.95153 51400.93157 39818.28151 38768.62409 47820.22778 40310.50979 53676.53205 39650.86496 45981.17892 63050.13399 46778.76691 42146.29682 45105.38863 43604.11921 39147.2938 42012.20872 41676.60952 48836.99479 41897.58929 43803.81206 43813.03822 39356.39056 47046.66102 42744.04192 209.9022183 185.3879211 215.8842763 216.6212475 217.902467 244.0941032 SM(d43:1)_feature1 268441.1088 303537.2056 331708.4813 367284.2265 290606.4409 354043.8546 406947.9605 370312.0446 336404.8675 341848.737 223513.0988 193878.8917 157625.5285 227958.9013 233687.2883 349740.9217 171217.9904 248754.6522 268818.9212 206996.7301 230327.8448 310607.8028 419468.8834 288724.0052 241960.0468 213786.1746 251966.1723 233973.5033 266524.7195 346420.2432 384776.2559 338009.5669 366234.0983 442928.138 345360.2744 442403.092 477721.9714 430252.7191 360132.5093 273810.4684 319073.9074 216117.2601 237930.2005 297136.281 217064.3338 354320.8093 246782.8581 255642.6745 436715.7204 407696.6063 279896.0376 350372.4838 250970.3731 316880.8834 265422.156 329752.2306 340871.5283 316604.9484 302173.8973 318384.0925 264102.8561 310082.7494 327027.2416 214.6263082 203.4808557 227.6087968 225.3156167 239.0136735 224.1637712 SM(d42:3)_M+H2CO2_feature1 118031.4737 135657.6878 148044.6891 156520.3964 128881.5732 144420.6968 167613.2952 158415.6793 141115.7079 141658.8544 169452.6833 141187.8161 156836.2104 184805.8835 138871.0246 170256.8957 141166.6288 214298.3739 195517.0832 153014.5731 94738.50208 141574.9798 157955.2929 127438.6734 121218.4086 130244.4568 178314.6634 164784.8633 157482.6425 190624.2513 145686.493 136136.296 167334.7076 176874.8938 123513.8219 204657.1696 161274.957 175091.5779 146808.1754 113008.3892 177426.7443 138993.1915 140118.6362 166035.411 155118.1159 198655.0474 147326.6849 171610.0547 223527.9298 213940.0663 131832.9749 147621.4731 119662.3245 131765.9145 158580.85 159891.828 167869.5685 157619.9559 154483.9556 154283.5273 159028.1422 157461.1084 167698.7936 189.8982384 191.5114573 223.0393994 228.3498741 231.4493525 225.9791555 SM(d42:2)_M+H2CO2_feature2 1299705.475 1642797.087 1721361.258 1786349.599 1416666.047 1559170.298 1873141.906 1577753.458 1511225.427 1599800.061 1587415.435 1225573.611 1252528.356 1390147.207 1189157.107 1466524.405 1177008.882 1663867.227 1539769.515 1279274.979 1234442.852 1277886.387 1734980.783 1514110.443 1369449.392 1093737.865 1486236.141 1341292.733 1373941.096 1652132.3 1590974.856 1500689.657 1841435.931 1935715.93 1473022.445 1983883.569 1883960.108 1927227.963 1692433.646 1312442.669 1527913.151 1149512.412 1180409.76 1451657.876 1249887.925 1668955.721 1268021.167 1805814.756 1838721.815 1800946.831 1202347.968 1281042.782 1322453.942 1435787.541 1435262.15 1467486.441 1723358.784 1652163.375 1360791.176 1401931.562 1739147.386 1440611.018 1495083.737 158.1977859 130.6600759 147.178195 163.8532149 162.4905312 160.5640981 SM(d42:1)_M+H2CO2_feature2 2256243.611 2622623.423 2759929.06 2756845.202 2476023.688 2648436.65 3494752.476 2750844.639 2691592.463 2854598.957 2544110.175 2572304.911 2759646.023 2785176.187 2488989.225 3467345.038 2589435.724 3008763.713 3220406.235 2865270.638 2084832.931 2557457.506 3306584.52 2467710.361 2510930.252 2305974.933 3031549.197 2796482.227 2854160.553 3788000.832 2993809.789 2672869.497 2941371.212 3565437.889 2698116.709 3584332.612 3488057.274 3448661.674 2927621.729 2262496.606 3499519.04 2661539.412 2762190.422 2923993.723 2925734.172 3427806.612 2543206.571 2931032.579 3993489.423 3500993.457 2397671.74 2508370.351 2247829.155 2427559.445 2784999.76 2958545.217 3167242.418 2800230.595 2798684.965 2884893.039 2895083.776 2842596.419 3018550.811 172.5475057 153.3127543 168.3656799 166.8607024 167.7943059 161.854836 SM(d41:2)_M+H2CO2_feature2and3 35543.08857 54343.97114 63093.57321 56518.43505 47911.25055 58353.8756 52964.2114 52133.35442 50064.41143 55815.7251 70069.97585 69531.54306 87607.86735 77488.29254 71106.93101 110682.5806 83294.91809 110256.5532 94076.13742 84327.32953 37736.97501 54404.66039 57593.21703 49567.2387 39459.50889 51597.60187 85199.04887 87039.90404 80883.10704 106756.3759 48562.37254 44922.9049 53396.38892 61881.00783 38286.59942 65455.00659 56335.80582 51042.85554 60955.75704 32843.95898 91104.06199 61048.71694 67610.73087 95241.91149 62262.50243 80325.85969 68614.39086 68295.74115 97798.92671 97436.38809 53250.88527 62308.52957 48978.49724 55862.77693 66665.47275 69400.82085 77920.22528 67649.39602 64688.50386 66372.75604 67673.30289 67826.25769 75008.4126 164.8245611 145.4762282 157.5563542 214.0668662 216.2383779 179.4692834 SM(d41:1)_M+H2CO2_feature1 847275.1512 1136936.387 1198284.333 1274788.196 963929.9999 1163163.507 1178626.043 1075162.154 1073309.315 1035071.561 1090452.537 1050545.07 1168281.814 1105364.002 984250.8871 1394507.791 1033715.652 1218260.689 1266685.697 1186469.183 866251.3365 1043633.456 1232638.908 984662.8032 835870.5158 876612.8211 1266772.31 1185542.675 1153679.235 1478531.258 1100576.215 1049891.631 1148391.739 1343836.751 922873.9786 1375536.519 1235717.005 1333594.096 1066529.209 845746.4472 1321947.891 956110.6066 1084105.996 1282240.252 998470.8576 1352610.582 1072587.221 1224776.639 1582907.697 1454707.181 934019.0946 1015986.154 937949.977 974487.387 1136109.05 1142913.933 1230542.036 1126077.428 1146898.454 1153311.653 1152463.51 1156214.534 1161628.243 143.3655685 126.6674542 148.5103239 141.9777716 150.4626754 142.7823172 SM(d40:2)_M+H2CO2_feature2 27543.67811 26021.00877 39272.28673 39330.71004 34858.76182 35493.216 42844.9643 37109.99383 37346.10938 35830.26014 44421.68781 49395.64609 53398.04849 58512.35163 32361.57345 65574.14209 33676.02118 74987.06513 64576.30246 53522.21097 25269.41876 34427.8524 29350.85571 29858.78017 29073.52293 25459.6473 40353.32366 55235.15939 38814.51267 76296.01288 35314.73531 30138.11021 42163.6223 43630.34849 32587.2724 50363.36247 40491.29264 42331.32651 41883.79956 25649.57564 64409.47835 45575.31516 40880.23957 54572.65966 43970.73284 62051.2379 44688.49168 46700.66165 67825.57669 65882.82572 37261.91388 43608.19829 35097.91276 37766.06457 42332.07423 48583.79463 46533.75915 45635.47041 44511.75763 43167.04277 45589.87762 44684.7289 46956.20206 202.0080413 186.8153051 215.8081438 216.0329144 228.7836072 232.597088 SM(d40:2)_M+H2CO2_feature1 63836.53944 76163.92244 72224.8427 84673.40094 65916.86495 65326.58358 104291.1487 86657.18001 74784.71351 88606.99016 75827.07864 81178.72745 95638.05572 115653.3588 76251.7433 100602.8159 76379.36974 129413.985 100684.0941 82480.47777 55971.89962 70636.46676 76446.93612 81088.51497 72985.37603 84747.38069 88320.67982 98568.79245 74660.01105 118899.2345 96757.02862 91038.66926 116206.1913 122023.0329 106902.3003 126164.7722 151966.763 120194.7566 109702.7304 78205.87996 110288.602 89255.13856 83755.55727 100768.3876 99343.09545 123306.2464 81459.08598 118887.6648 137228.7693 111561.1312 90633.06872 97384.38923 82834.58517 89841.36033 98219.05125 91368.80367 100144.5696 97297.46071 97052.81384 98114.88884 98582.91424 99198.19396 91683.57449 181.0473075 169.3855077 168.6438455 227.3502734 231.574443 206.9243269 SM(d40:1)_M+H2CO2_feature2 861524.8849 1109436.673 1132086.856 1156511.063 938377.7548 994912.4141 1255347.8 1019816.255 1019598.465 1032617.301 998445.0534 982027.6469 1031021.592 1016812.422 859942.7822 1138910.892 918327.8172 1290540.578 1149793.504 1010259.288 733393.8016 943082.2595 1145235.125 1027737.165 840562.4152 792257.3879 1114950.892 1073086.729 1081134.953 1376748.751 1069537.104 1016586.752 1148727.165 1236937.527 970607.5162 1304033.579 1171958.379 1291769.941 1145169.011 883115.4934 1246851.13 885502.5011 920015.602 1090226.24 932554.4331 1253211.307 995348.2654 1069757.899 1338310.994 1302816.064 975346.4751 1001328.501 900406.9868 923815.8419 1043119.887 1124168.885 1105090.68 1041612.3 1014871.383 1050311.322 1050838.742 1087884.365 1112348.83 153.6601015 126.3722264 146.599726 147.3566263 151.3969645 157.6268782 SM(d40:0-OH)_feature1 51976.93928 74314.60924 74528.2471 66178.38402 72054.21014 69858.06954 80899.33255 77999.14295 74178.57393 75277.86362 68720.95231 73491.10482 76447.77944 78768.61593 71622.54681 75040.40125 74211.87304 71521.40955 81286.8931 77948.8644 69623.19062 64946.43056 85196.32495 71519.10713 59653.30807 73978.23972 60938.60753 58528.9663 74185.75131 89166.74813 73038.1831 61113.65333 66620.58773 84743.14536 73643.50107 69462.95578 59998.9123 92776.73684 70196.99014 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81260.79794 51312.50764 43230.72107 44432.03176 65221.73202 52898.77166 53665.62994 61181.7772 77894.86411 70151.63295 73589.61323 79656.91031 63458.45594 65155.03409 70846.67929 68074.46913 64202.17628 85080.00645 74851.6035 75546.33195 65389.46415 54048.47262 85387.1369 72531.73395 75309.67177 69888.67914 74528.42905 89211.72332 73662.7055 92892.44632 103755.3598 105528.7783 55127.43944 57404.21909 39751.39001 45985.0025 63183.40927 66206.6459 72227.96855 63606.06866 65748.84935 67414.43497 64998.54634 65210.55954 66898.17807 170.6732793 163.9832079 158.1589217 190.0248905 183.7869512 186.4407242 PC(O-34:1)>PC(O-18:1/16:0)_M+H2CO2_feature2 40386.48297 49482.24386 54780.56536 53604.12281 46377.41054 52415.81607 65985.24685 57750.8729 55126.59505 57560.5672 66664.35879 51842.82697 62078.72357 68969.48772 68888.65999 77943.13008 57039.13098 74559.09566 79302.18094 57304.03985 37364.23815 47752.04846 57935.39885 44064.80182 46096.43571 55447.77933 78247.33331 67080.4568 64465.6117 87227.01377 55736.28442 50665.81334 74083.11723 66449.33743 48346.53002 71590.15659 64318.45892 69592.14188 58417.07573 43072.153 83262.03324 51661.64412 65724.43737 66640.85144 70783.54775 95776.95825 71529.44081 80007.15438 112094.0419 92044.56836 47263.44928 50876.56761 38890.2835 43240.45345 63950.0415 65198.07172 66439.14665 60699.14458 60752.28584 65057.82918 64250.64277 63819.99992 65452.8226 200.8024926 186.527685 192.9000664 233.2593603 229.2221973 231.5890537 PC(40:7)>PC(18:1_22:6) _M+H2CO2_feature3 364164.3219 306383.7065 364081.2317 394008.4112 323439.1191 298747.0089 431740.5045 475960.5525 405803.906 457589.9691 314584.5815 257464.8762 346370.9845 483008.9327 253213.4337 467022.5406 349982.1382 435517.4439 425203.2268 345449.1932 353540.164 367920.8259 452593.0419 388872.2968 351564.6057 285930.8164 398406.3276 362234.1212 366564.0892 495131.5365 418440.5655 326748.4275 405439.0534 506851.4932 467324.2155 446103.022 534988.6044 501955.9569 447182.085 335408.2915 296217.6314 239497.6947 276755.1256 352661.4625 250292.2505 326332.3717 237149.8241 236383.0144 364444.7826 315999.1682 450036.139 453234.0261 415792.9609 418562.2042 362193.5404 376353.6627 415593.7493 373490.8059 375132.4277 393495.779 386685.2822 357248.1137 385605.8018 195.2413869 178.9923222 181.3329255 206.7007108 202.2293244 199.0248043 PC(40:6)>PC(18:0_22:6) _M+H2CO2_feature3 2395928.161 2627507.457 2602128.916 2921768.156 2494408.274 2332054.191 3557505.718 3122040.003 3041696.697 3464073.248 4289450.922 4396128.637 3656105.42 4451364.575 4141455.651 4109809.797 3639912.398 4947871.986 5150713.423 4168810.61 2398853.622 2767463.726 3708936.867 3002535.533 2663367.9 3739809.928 4327356.792 4313174.606 4361370.673 5251707.698 3220709.986 3067126.153 3971076.223 3988049.529 3434160.385 4011585.484 3450165.631 4505794.218 3238929.672 2499245.365 4633596.883 3771994.937 3807111.72 5505759.97 4230460.917 5814140.671 4209408.005 4925478.203 5735339.697 5533140.493 2427153.582 2421707.881 2203436.326 2374064.23 3696134.026 3765801.908 3859628.832 3803007.372 3721645.228 3811835.683 3740210.495 3789186.127 3738175.39 187.6155863 175.9625736 180.7053855 207.1033523 200.9735349 207.6021749 PC(40:5)>PC(18:0_22:5)_M+H2CO2_feature4 85281.51846 72613.60813 113707.3751 119630.1902 85843.32449 79309.25966 119572.0531 119467.8495 107560.7614 137977.0718 218172.2539 150929.157 162929.8621 245314.6642 175389.1044 207586.6059 167757.2713 204758.5426 229245.7729 184442.9303 67501.9318 65016.6965 82267.16232 82954.79213 111865.397 150824.1463 206584.4657 179018.5176 153611.304 202341.7396 126757.6398 83868.52756 145283.1851 165970.1872 151996.1619 147219.4688 112581.8141 219804.9969 132103.0048 100423.2267 240955.2834 139883.8715 236158.4875 370370.4535 246608.966 261490.2976 282027.3173 278860.068 370407.9846 276734.7442 51850.32953 57018.57009 61207.82039 65494.49009 158562.1016 165663.2385 173492.2473 166020.404 163984.8979 163396.9686 168038.6334 164938.8552 162198.5827 168.4887008 184.6905991 181.7418427 195.2755813 228.1717528 187.8737038 PC(40:4)>PC(20:0_20:4)_M+H2CO2_feature3 29618.57233 34062.63664 36472.24435 36528.97614 29677.99872 31049.44063 39586.46214 41084.82805 36828.59892 38549.92555 20402.09426 17872.0519 21571.47406 27002.45334 21772.3136 32706.96726 23462.28145 33465.15612 28773.49165 26488.06655 30851.14246 41991.07876 44636.53765 30214.84707 30629.8585 17812.56227 24835.51056 23635.81464 23651.49646 33744.11332 41432.84415 31851.68548 41717.62937 49418.84895 31004.56587 45515.50425 47044.78999 41252.48027 44837.80628 25984.93089 24280.11688 16282.8961 20620.34082 26722.74396 20131.87704 26944.48844 21381.23405 21821.52937 34627.67355 30454.93395 34459.61769 42718.78455 31328.72686 33704.2371 31509.1965 31783.96238 32300.03195 30909.8934 30949.51283 30603.76403 29899.21875 31929.73972 33271.12264 210.5045664 176.7784037 228.504379 216.5786268 219.5437418 211.3833746 PC(39:4)>PC(19:0_20:4)_M+H2CO2_feature4 81301.98245 124742.8302 79016.30674 81353.73807 49905.40331 66290.39218 106883.4626 127603.9279 124776.0688 128371.8114 83447.03162 28001.3766 62670.87554 56511.07317 76026.06743 61472.57582 43627.40577 60039.26238 41787.97312 64136.68285 66378.49204 130423.6342 93457.8362 79293.34731 119058.6465 34355.29794 48079.12452 69774.61846 89208.41173 47327.78937 142675.6148 85530.54379 84349.75163 109024.1678 119623.5827 88326.86832 189013.491 82721.77339 147683.5759 103213.1578 84466.50266 55844.47573 80776.57793 83568.81158 68497.5646 96411.74151 56667.32871 72082.28805 122150.0138 97647.4878 105255.4402 163022.5792 102977.6862 150817.6581 78901.79541 86822.27244 66725.25631 68874.59093 72711.89464 76199.25682 82812.89601 74039.929 81449.50823 168.6432955 192.2604383 186.7060701 280.044642 334.275597 271.9755592 PC(39:4)>PC(19:0_20:4)_M+H2CO2_feature5 104878.5167 167231.3729 154612.9708 155204.7604 113381.0476 130080.6752 167652.5125 168870.9211 144727.5952 151627.1887 114207.634 96276.39677 105027.0564 121317.506 109740.3219 124295.4759 103756.1895 131633.8936 140458.8188 118955.4587 122735.5829 167831.1502 200233.3349 122749.6092 113502.4595 100508.5866 127865.0144 117072.8514 131417.0068 155173.8752 163075.1295 148735.2068 173549.975 187607.1417 118790.8398 192428.4037 189336.8983 168588.87 187068.6526 117102.7573 123905.1636 89118.67076 119471.664 159546.9877 112732.3286 144339.0136 122355.7266 134078.2219 184837.0091 178144.5033 142721.4228 153724.3795 128474.4716 146360.9643 138127.4558 143511.6957 142222.6197 138378.6332 134205.796 139709.3986 141898.6794 136138.1523 144360.4129 180.1762818 167.3223141 172.991525 205.4757938 200.5317354 203.8926922 PC(38:6)>PC(18:2_20:4)_M+H2CO2_feature1 712677.2703 1012737.08 1202981.717 1129742.258 1039985.97 1113742.193 937381.4723 840987.0977 850751.3862 1067337.97 525012.4361 579262.696 843109.1355 721298.6526 485252.0202 1217507.095 739631.4802 1040053.511 740530.6716 847717.2752 855394.0391 1167210.826 1121792.997 898754.6261 816157.9745 496453.7114 845466.0707 885183.3413 854225.3305 1193199.93 973924.1316 791550.2408 1001591.148 1279394.168 961753.0361 977013.0109 1264618.497 1088388.631 1083591.851 814821.1223 727646.9986 486309.7647 490931.4324 528242.257 425102.0124 579324.3692 534949.1203 502909.7447 700231.8477 753584.2644 1060937.168 1106235.287 1099071.189 1133274.106 860453.8306 846119.145 879731.6255 853503.8986 854953.795 845356.4677 845954.8777 883506.8746 853933.9946 155.8551402 154.0969477 147.2954771 172.5337882 167.7547256 168.4185751 PC(38:5)>PC(16:0_22:5)_and_PC(18:1_20:4)_M+H2CO2_feature5 145483.2827 140994.7141 287172.5598 229633.8135 225160.9043 244225.199 177787.9831 177923.2034 191411.7656 237459.8562 231109.048 254046.4784 530709.7291 498476.3395 376629.6708 697019.3119 438529.6123 488611.1471 459402.908 532724.3585 202060.3146 284559.3475 159936.6751 164893.9846 189545.6776 265950.7994 350761.7705 384827.4102 356988.1821 554525.4937 184330.0102 137386.397 236401.6577 268681.503 228842.7412 180575.6325 189537.021 250719.3202 202471.5798 155299.8332 384467.12 200663.738 275749.7923 285609.6125 313299.1301 405624.9619 284539.5938 224335.688 357891.1693 340356.8302 154652.1062 150419.1006 181609.7559 176429.8858 287044.2548 269190.829 319704.8871 282519.3793 296522.8001 284378.3345 293172.8343 287057.497 285561.373 181.9669469 180.4996925 175.5919511 202.258811 188.5437627 196.1423809 PC(38:5)>PC(16:0_22:5)_and_PC(18:1_20:4)_M+H2CO2_feature3 2523786.47 2608643.305 2581101.258 1651670.465 2411192.841 2303389.975 2953897.364 3274666.264 2704824.927 2728710.347 1588518.608 1340089.602 1696842.532 2180175.364 1474402.718 2131721.294 1772015.619 2098626.066 1936179.464 1777238.948 2355103.817 2432025.156 3033126.13 2611624.125 2299291.9 1422941.136 1857041.175 1818343.682 1704185.414 2298538.081 2891598.119 2334644.037 2655830.339 2870878.234 2557334.659 2776867.12 3275987.734 2926903.832 2773013.356 2363478.158 1665573.555 1332982.613 1325845.818 1290721.476 1367327.095 1683879.589 1244180.053 1339232.056 1900319.185 1334457.512 3034307.204 3071039.9 2812551.779 2935267.584 2203731.871 2233016.518 2313045.718 2254995.297 2192088.518 2290496.522 2220430.335 2242403.929 2236540.648 198.8073296 189.6910689 189.6325882 222.4026625 223.5842129 218.1560401 PC(38:4)>PC(18:0_20:4)_M+H2CO2_feature4 13895246.59 16505396.95 14316999.9 16219370.23 13005834.37 13271321.7 16862502.88 17086734.78 15989122.37 17671260.15 15039292.34 14954243.96 12900848.13 15293625.3 14963595.21 14305240.54 13607543.97 16224219.04 16886813.82 15061688.64 12336065.91 14848933.96 18400121.81 15331691.66 13048543.73 14523974.1 15555749.19 15034708.3 15547568.85 17585519.6 17529787.61 16933284.54 19700525.7 18722642.08 17095537.01 20687325.26 19199895.61 19063487.66 17267880.92 14888414.57 17220962.29 13968207.72 13877122.62 17615661.34 15270607.09 19071946.6 14631221.31 16839658.8 21663711.34 19939915.72 15109139.36 16148460.83 13501523.83 13785828.85 16104461.41 16146987.33 16699854.05 16360250.68 16018860.01 15947328.29 16284061.87 16702564.51 16020970.88 215.3221787 204.4714596 281.9199173 323.6892765 234.2481613 229.7681458 PC(38:3)>PC(18:0_20:3)_M+H2CO2_feature3 484059.5706 878924.8062 1181070.491 1128725.119 1140048.821 1204325.67 650450.4373 691224.1518 814268.9534 930074.1909 846950.6423 694300.9852 826194.0201 1025162.9 800711.703 1408875.153 971203.4113 1166606.29 974972.7413 1151084.875 606649.1005 911308.9528 803760.4194 827397.5422 738366.6922 496463.6536 968125.0986 1031562.527 792045.5033 1339577.59 802176.8009 367125.4168 747524.7164 1072668.884 840900.2008 520340.5399 778206.2569 1015099.624 846320.6469 605335.0141 1026418.036 497588.2608 696206.5719 867265.6259 702832.8389 880579.6948 616346.3125 508049.5328 838156.6619 840206.2221 469883.7347 583855.816 871659.8212 873583.4041 904436.7625 711601.8199 770282.9825 903408.7115 875808.8374 753944.1093 859332.4433 863639.9527 767647.6832 202.1003294 217.076762 205.0664591 228.4131215 251.4138602 219.2745938 PC(38:2)>PC(18:0_20:2)_M+H2CO2_feature4 77327.85905 94792.91658 110360.2655 95071.49508 122076.5659 112443.0732 111441.506 111744.2804 85978.31332 95006.22971 68810.11409 58729.82629 77357.53742 94587.0437 53980.69444 101473.885 69016.83613 103030.5363 73397.19689 83282.16285 54181.07436 95136.88579 93999.30374 87073.5259 71455.4236 48701.29885 76029.42567 84162.59191 66046.2974 109455.266 105354.3316 86454.38457 101324.7173 144578.3302 86994.3499 122936.4501 87096.92697 120927.1198 87199.03508 82015.48131 75647.43988 37147.8067 49833.1261 84380.06453 49477.74092 91272.32459 49145.37512 58548.15198 85470.40642 67666.40704 93547.51497 116547.7859 119732.8883 110663.0812 80263.93862 90541.62327 101555.5686 78433.22978 77258.53392 76270.85161 76230.34807 91747.54835 96723.5007 190.8525468 188.5205614 243.2508964 204.8979315 207.3192327 199.2444358 PC(37:4)>PC(17:0_20:4)_M+H2CO2_feature3 455017.3913 516043.8474 528479.2452 501607.3274 419073.3695 435023.0955 555918.0528 617946.4956 511774.0317 589155.2192 370655.8422 294056.7899 289472.2279 349024.9534 351664.5615 343455.8673 313573.5073 405458.6172 374921.8393 360917.7631 435330.3776 512078.7853 622680.8496 482271.4763 452514.9557 284366.1093 354559.0623 390886.2802 343810.9742 390528.5193 602182.0174 565643.1363 573062.8542 669333.8465 517169.6331 672370.7721 708130.5598 573981.9705 601679.1819 447967.3411 373543.1799 289802.7533 336203.7327 489080.9152 347704.5893 471250.8939 347002.1898 402707.4758 491233.3194 507610.6539 572217.0112 593840.3288 470131.5868 505837.9666 462824.4657 461914.988 484523.9541 457634.5837 461678.523 454404.4442 465969.1089 463802.0854 474029.451 170.2562485 162.3696325 157.9257874 198.8308439 187.5374413 189.9669927 PC(37:4)>PC(17:0_20:4)_M+H2CO2_feature2 52228.18047 45476.34509 51708.20235 56170.69435 55800.10224 51898.39524 58870.60887 61958.70904 52231.74961 60530.79653 29814.43982 22171.24127 29393.96308 38501.62661 24967.61872 40992.03449 33869.07637 40512.91198 32671.92227 33358.75244 47640.26521 55956.11578 60493.64613 53688.32256 45533.02504 24075.81074 31796.22711 31291.40918 29635.45576 32998.08506 56374.25888 47222.47924 53465.81592 71037.41627 52253.0563 58306.91974 62724.33637 57667.53849 64580.44936 49785.93694 29606.26099 20580.37587 26362.51948 35654.86677 26060.03458 32158.29888 29193.38804 22676.7571 38929.81978 32484.65649 70407.37311 55855.93882 68963.00718 70481.19504 40140.79957 43325.35583 45094.50596 40319.76039 48516.71237 28904.00659 44864.55622 44055.99338 43404.72442 175.9481714 176.7428386 172.0789821 208.3439869 190.3979014 202.3060623 PC(37:2)>PC(18:2_19:0)_M+H2CO2_feature1 36449.12505 60370.09669 75539.53379 62181.18242 54582.49351 67935.7562 52285.08238 47988.09324 46242.0428 48423.63809 37258.82973 34940.5618 53951.87662 45767.26339 44811.175 70293.47398 51511.62112 56061.5042 48252.27784 59374.23714 41705.80633 78056.86404 66156.18351 40340.66903 42321.34411 29253.89567 44212.05779 49600.4761 46161.46605 66272.77218 47896.79068 46093.179 55071.2979 68669.47586 37596.71787 50788.46964 65455.07621 52189.63662 56862.49339 37598.18606 55648.51292 30160.07984 40141.60354 51203.60437 39052.61164 49305.13645 38906.70092 39242.91447 58403.37426 57057.88165 47901.07608 55127.1806 51516.13944 55943.80678 49548.04874 54956.82236 54726.63378 49815.78558 53029.24921 49008.91545 49557.5934 52776.32199 55217.05263 181.6183318 174.6515207 172.7164662 231.1958316 212.5200947 224.3409556 PC(36:5)>PC(16:1_20:4)_M+H2CO2_feature2 210516.5465 238022.8522 443565.4209 386695.0068 347157.7309 405025.9438 279783.7861 266819.7387 266216.8397 264139.9557 119061.3399 117636.495 204664.6718 235741.5846 92001.26545 334235.0642 169949.4297 249142.3406 178115.0807 167206.524 212135.842 284789.7996 250363.4276 262756.4636 218276.0711 98880.04228 187637.6336 173262.5256 155833.9252 250912.8046 282814.4688 168028.5407 246298.8668 345320.8986 281558.5962 233756.9691 270599.8316 281532.2201 254949.3391 201067.1469 181296.2036 101229.6476 119187.9319 88253.32609 90733.6976 123489.1246 108193.2356 89843.17556 135563.953 117897.1818 331913.9773 352793.5274 328584.5198 354861.8407 219587.2632 224050.6488 240880.3043 224926.0784 224694.6489 224661.4832 229142.5774 223448.9646 225979.0412 169.816048 158.3067765 166.4950869 195.4463885 195.6119281 198.8278169 PC(36:5)>PC(16:0_20:5)_M+H2CO2_feature3 122662.2896 132734.9515 296643.5488 158716.2801 207690.3279 287349.587 100234.2464 139330.1209 146699.6995 158159.1944 141870.5403 116810.752 298770.8366 244116.202 151235.3081 445345.8628 225791.9492 266372.0966 210769.7864 259816.3587 176966.4371 336398.6969 159278.3669 159931.109 151071.6292 94143.78963 200386.6686 201659.3482 178915.5793 287248.8801 145901.7853 100616.1886 155896.4897 204077.2073 111270.2847 134851.9174 146847.8847 156374.2267 91667.23137 99001.44629 184473.7798 86237.86223 114711.779 120224.4085 109460.3439 158708.7147 92019.76925 79408.56459 127542.654 127670.5716 116918.7206 131829.3478 158536.7528 174005.355 167663.8252 168797.2752 177645.9585 169785.5088 171207.388 169348.5128 168917.6941 171012.1837 170795.5237 147.6849076 150.2782758 160.5088192 194.7144206 184.7476476 193.5755928 PC(36:4)>PC(18:2/18:2)_M+H2CO2_feature2 228895.6355 306930.6741 379641.06 322980.9402 315835.6878 390055.776 267263.976 226537.9175 249349.2998 228156.6019 111394.3573 115097.2762 205268.8875 193724.3063 124183.3072 301755.409 160804.517 219148.4161 166207.7506 182887.6537 245411.5321 379289.2787 338105.4427 254191.7227 207892.3216 122868.296 157173.899 178733.5285 215144.4131 266263.0531 254798.6101 209675.9022 241335.4783 315400.9017 208976.9127 275437.1237 363782.1333 266269.0534 300654.0076 221687.366 170737.1441 115454.4179 122010.3391 99172.82605 106326.1296 123331.8849 102287.5598 116689.8934 188547.7249 158757.2094 328878.6286 339157.7336 340076.4162 350637.2983 230781.7259 214099.8715 245904.8785 215461.9843 249325.2868 233560.1375 218203.0811 221936.0438 234430.079 157.0626397 149.2711554 147.0225978 170.489593 171.4457786 161.9392004 PC(36:4)>PC(16:0_20:4)_M+H2CO2_feature3 8171570.741 9607169.914 9008607.739 9555902.886 8774929.145 8953785.372 9953686.465 9873047.232 9119776.174 9462063.222 5773188.924 5701407.147 6133536.081 6733481.503 5680168.736 7135681.222 5990417.257 7385019.384 6593016.216 6634166.442 7429789.522 8687094.078 10088071.13 8999690.359 7982890.393 5236230.023 6782602.195 6274628.156 6254006.773 7200414.496 10055459.67 8744242.599 9671810.832 10496625.3 9199684.621 11224679.21 10265101.4 10991201.89 9179837.147 8619269.374 7489919.139 5403191.441 5781208.651 6439626.055 6202748.116 7461076.023 6030283.622 6617460.334 7468445.831 7657161.328 9905677.908 9986206.985 8371190.843 8445718.597 7692604.304 7642276.349 8598941.394 7876058.906 7860049.751 8037898.722 7787988.772 7736654.191 8009118.583 174.8709912 166.8612365 166.8187005 194.2695459 191.2141083 600.6825975 PC(36:3)>PC(16:0_20:3)_M+H2CO2_feature3 340792.7643 389799.5226 667633.9441 566674.2147 738235.6326 696025.2601 301594.9826 292854.3547 446122.5427 487418.983 250410.0139 194252.1726 391666.9505 309763.9509 185436.1206 535430.3402 341388.0327 383410.6642 272818.065 371841.6319 346759.6355 505408.2616 354832.2857 427140.5905 396492.0091 193799.6658 321649.3934 353624.0965 281399.5505 395986.4022 405138.4487 288799.1879 380365.908 541196.2276 405963.6993 359546.8601 416680.7568 443346.6795 372920.9933 338973.8102 304073.195 185713.2531 203189.0602 246887.0401 200665.3612 248168.6701 211292.1846 181537.5381 219068.1224 246836.1464 489575.1656 508442.5921 404729.2914 512854.9083 353743.7128 367911.3686 396412.8518 361719.0154 376994.6199 370189.575 372448.8391 367876.6599 363170.4784 166.4259704 150.7931371 154.131438 185.3759672 177.1547135 182.6040674 PC(36:2)>PC(18:0_18:2)_M+H2CO2_feature3 4593855.046 6116589.032 7028359.183 6182690.96 5714614.263 7426289.875 6018263.607 4672299.613 5162288.373 5703462.032 4820604.403 5087373.796 5983708.076 5314093.905 5514104.111 7459988.708 5627835.613 6547223.715 5772703.132 6531233.346 4465051.108 6542925.191 6574550.076 5291619.73 4900165.16 4101936.294 5250369.647 5772520.807 5472515.445 6926862.474 5825117.018 5291070.337 6329025.306 6974489.643 5083066.316 6220205.527 6383187.617 6045240.825 5847073.073 4810443.353 6828998.888 4545212.523 4709565.648 5761503.271 5237706.988 6925839.271 4744144.573 5261863.252 6676587.647 7000133.026 5321175.402 5632352.905 4988159.262 5460901.991 5958853.122 5921903.219 5873077.038 5727329.704 5588429.271 5939373.843 5934421.743 5820093.872 5967229.601 189.2669181 184.9637542 183.6307094 234.3806278 226.5199338 247.9805469 PC(36:1)>PC(16:0_20:1)_and_PC(18:0_18:1)_M+H2CO2_feature1 970550.4825 1486217.552 1716367.316 1664630.273 1420483.887 1744467.627 1468986.777 1308304.798 1202248.836 1217417.628 1438577.83 1406834.223 1829519.042 1858889.398 1533504.527 2453725.462 1563440.997 1892972.81 1616443.73 1866985.016 877554.3632 1297823.93 1395310.49 1178008.482 1109674.875 1193220.562 1707207.442 1660281.975 1527321.037 2052012.782 1302252.673 1206272.066 1460821.946 1653990.732 1319686.109 1623168.301 1507127.881 1649335.718 1357434.604 1097719.162 1930224.234 1140882.448 1557736.061 1528859.127 1439870.529 1945941.514 1358543.802 1425090.327 1853675.643 1860863.455 816533.125 928525.4208 785474.9045 926902.6399 1527031.218 1508052.108 1590271.505 1519524.22 1507223.716 1514336.049 1536686.779 1492222.464 1573300.137 208.7144956 211.7185778 207.3709909 243.6537408 243.2904207 247.0340665 PC(36:0)>PC(18:0/18:0)_M+H2CO2_feature3 40500.83071 52603.39993 40305.10861 42631.40661 30338.81328 33283.79463 52696.873 51816.74637 44335.35522 63460.16544 49791.87322 48507.94498 39776.53952 61551.15087 48224.35824 46373.63863 43130.68888 68942.40933 53290.0957 41128.41121 36082.66005 39494.60575 65490.62667 50636.45907 38982.67114 39454.88289 61968.21415 51478.19555 61485.56498 62517.20459 53449.75492 50865.42457 67058.87479 66594.82755 54601.57628 65471.70871 64426.74542 69446.7112 55831.70841 44955.16653 57731.85271 40323.42908 47585.24431 69209.07814 39885.89958 69628.84998 46940.3973 61544.61124 91181.64276 75603.81543 63352.80123 70471.78362 50502.63838 54357.84731 51137.1948 55036.02843 61890.25847 53506.79633 55359.65468 52906.89097 56130.69324 52360.9224 56491.54884 150.438359 122.981235 141.8206978 149.9906119 148.6547658 146.8048521 PC(35:4)>PC(15:0_20:4)_M+H2CO2_feature2 103659.9763 139528.2819 165543.782 133334.2518 130605.4198 159185.9141 136623.6667 135613.077 118784.9838 115626.3652 53085.54977 46782.45215 56722.05678 56998.68619 46817.6925 83010.57381 62570.18742 77827.3579 58227.07758 69122.26058 91325.73225 141594.7283 136561.9661 111750.216 93073.98915 41079.09869 59405.73848 65722.52813 58824.22358 69407.21027 136335.0177 124054.342 128926.993 156763.1638 100760.4631 141708.8735 151175.2698 119893.0294 132026.3841 103871.7726 70445.84551 43597.83765 51663.6844 66218.2445 49880.38257 60934.10526 50387.9676 54607.16487 72679.26244 69221.9378 181125.4977 196855.9395 151718.0743 157104.7966 97979.44064 95805.28937 98997.06926 95091.96517 90957.71393 101323.0323 95698.67636 96483.15828 97726.66657 144.7894994 137.7100811 138.4729323 164.8347511 162.6455685 156.9463784 PC(35:2)>PC(17:0_18:2)_M+H2CO2_feature2 114891.226 184468.2797 217025.3303 166294.9688 186717.9217 209413.9342 141969.3106 127312.1454 131700.5627 139583.5162 80068.68987 75216.22224 103314.7137 83822.24459 86296.22066 130199.3399 103517.1373 117564.938 95788.32548 133152.621 123944.2346 205172.027 160270.2463 130213.5378 115009.8224 63982.09949 90656.86567 105485.9465 96374.83804 120965.5187 146840.6376 135678.6606 157990.3792 180534.5104 108812.9461 150830.9531 180774.8941 138618.2483 152939.6736 123695.0487 103238.6916 74000.91604 80319.38564 102589.2508 89457.57273 110414.0924 84091.81369 86533.57417 110486.6801 121315.4712 163225.2113 182646.3896 154241.3105 160838.6486 123270.5628 130210.8928 130802.6552 121044.9613 123157.2665 125346.0618 131924.9364 126161.6886 124429.281 155.951969 155.8969781 154.0963842 179.8374253 179.0333795 189.4231539 PC(34:4)>PC(14:0_20:4)_M+H2CO2_feature2 105463.2605 148201.1642 181390.7598 198525.1485 174452.4792 219140.7265 135130.8822 143845.0689 153750.4254 153604.4794 65725.42256 53707.6517 82964.69474 95217.70006 61445.96213 178211.8146 106590.6659 130107.3587 86269.87556 102161.7606 111506.2093 172712.5497 135192.184 136092.2548 118115.987 44845.53471 84049.94012 77854.27842 70598.46563 107273.2042 150602.4992 101521.0476 141253.0369 196094.0642 138772.6385 142723.7228 147105.137 135932.7492 147125.6576 108596.8154 107613.5489 49551.2224 59431.53475 64478.72027 58022.84255 81219.00239 60469.55716 43947.4647 86939.43376 72464.85312 181205.9648 198406.4661 175851.9358 210696.8379 109557.285 120945.7698 128321.2381 112776.5781 115619.5002 115103.5637 124793.6126 113764.0553 115709.2115 133.8809385 126.2687838 137.4799551 167.2502873 155.6491747 153.9588945 PC(34:3)>PC(16:1_18:2)_M+H2CO2_feature1 259949.2517 296057.7841 293134.8628 417985.1611 393045.4965 618557.8641 298761.3381 252953.7762 294299.6963 180612.2408 134551.8518 149539.092 292433.467 276496.6556 131914.4058 432468.2336 223278.4163 306758.2639 156523.2781 259892.5177 243060.2599 396594.0944 276902.3637 249264.7356 205738.9143 139964.4236 212827.4156 237745.5395 120155.9731 313030.575 248295.493 216700.6437 230695.6072 324499.5672 214999.3681 280867.7656 310573.1885 177520.3028 274718.601 174072.9664 289155.3709 145270.6655 193777.1514 112477.2175 80271.45657 197210.6405 124391.9507 142601.9717 239305.7951 240236.2555 200938.4928 289885.7663 272115.9464 290719.5399 265249.0273 256929.3593 284224.6737 269229.697 259370.7149 245585.3065 275164.6781 264961.6134 271023.3494 213.3536959 211.0565788 201.8459281 257.3488782 237.8806796 238.9378634 PC(34:3)>PC(16:0_18:3)_M+H2CO2_feature3 179329.9752 268334.2064 355261.0708 335230.7885 334472.4896 411880.7185 256318.1428 178628.2841 189235.0236 235495.7834 289412.7521 343463.4601 457576.0852 420103.4192 359945.4242 606427.6371 377502.8325 440560.4988 395514.4996 408648.6605 204770.5607 246102.2191 214680.5539 169534.9528 185214.9727 233696.1148 475993.9159 377156.2985 345446.2445 560584.0048 229354.2772 186316.3156 265924.1373 332702.9467 273571.2287 266860.2245 262856.7859 319566.6791 248484.0394 182165.2079 559296.8554 281360.8022 428414.2051 305535.4962 333002.9 403529.0835 354254.2406 400305.0326 481668.9948 444046.3774 160116.2265 174293.7546 156052.3694 160112.2486 327306.1602 326491.5731 335384.1324 327495.4862 305229.2691 321983.1024 328960.8721 315548.5668 343321.0452 148.3485941 133.8792742 136.5296901 175.6154269 161.9685702 171.3300483 PC(34:2)>PC(16:0_18:2)_M+H2CO2_feature1 6066809.363 7779812.298 7988065.037 7909601.083 7784374.655 8638417.796 7626530.804 5834425.998 6332670.463 5897396.262 4393586.661 4894506.69 5842368.83 5211550.703 5034022.338 6466858.104 4948319.196 5443040.206 5738461.936 5752415.635 5680706.552 7177237.265 7708008.681 6210463.189 5701072.16 4465961.207 5385981.161 5364640.287 5593087.715 6597010.949 6415678.961 6444208.534 7326233.527 7428818.499 5736866.131 7953810.734 7702764.404 7596618.436 6734165.654 5915155.94 6890777.982 5117427.488 5030456.06 4476244.835 5346149.803 6005994.089 4654547.006 5991847.268 6518430.231 6057446.955 6343630.932 6291785.476 5588718.692 5465211.914 6145643.157 6231736.559 6553602.98 6102224.931 6078417.495 6130215.621 6243721.008 6259863.19 6304399.766 167.5436658 171.9817416 169.6015603 202.6696774 194.4222996 487.4652672 PC(34:1)>PC(16:0_18:1)_M+H2CO2_feature2 3122969.832 4084292.115 4790266.82 4386078.884 4492292.804 5023230.717 3839162.741 3204805.936 3365939.959 3065007.515 2650472.825 2852213.349 3673224.835 3360253.687 2950543.613 4709280.875 3245975.522 3778645.282 3389757.22 3452820.924 2645271.993 3498316.382 3415905.556 3041616.751 2864499.745 2663504.816 3597121.39 3268858.453 3092591.321 4330249.445 3315802.794 3007896.295 3756311.089 3869132.94 3426188.804 4198091.882 3940845.388 4327197.926 3479369.158 3020693.095 4043715.409 2650620.121 2914677.294 2430049.499 2968695.922 3397480.059 2750637.876 3073252.587 3676487.902 3327898.149 2577259.475 2671472.628 2600853.792 2652288.503 3390546.37 3500823.274 3673111.657 3501274.754 3364699.882 3408922.919 3661474.582 3405492.366 3486425.816 189.7240949 176.2224751 179.5737232 545.9475213 213.5027373 213.6215122 PC(32:2)>PC(14:0_18:2) M+ H2CO2_feature3 116504.7546 172083.9478 215725.6821 210959.4324 213675.2334 335866.024 136423.0455 119368.4643 138373.5042 109484.2174 62079.39002 64007.23642 102309.2646 95036.92343 65247.47621 183609.9531 107910.4894 141944.9525 107326.6302 99497.92134 111378.5181 211378.7678 152906.8081 124763.5335 104889.1118 54592.05443 84298.88288 86025.0067 83549.15921 137350.2877 134767.4129 105123.3208 139627.5532 158424.2072 122152.73 161208.2039 149207.6889 134451.8509 144167.2248 107196.8144 124309.4343 63968.8356 69043.87874 51625.47989 64496.40812 85019.70822 61096.17809 62447.4841 106065.3504 74426.55484 130724.6814 128927.7544 139569.4538 152230.7145 123018.0157 121433.606 127926.9728 122579.1156 117214.0101 123570.48 125214.4659 124583.0435 121640.1113 141.575128 135.5061437 138.7743498 157.5220387 157.23159 157.9238462 PC(32:1)>PC(14:0_18:1)_and_PC(16:0_16:1) M+ H2CO2_feature2 182373.0006 196741.2492 604324.2959 388563.2664 444288.8788 624298.8459 213081.5811 200865.5019 225681.2378 224138.7468 172177.2836 186270.5694 356756.5164 322748.7148 164007.5616 545968.9781 275065.848 365688.908 252498.9533 337460.7614 174793.2986 291789.3236 163070.5205 222400.802 243867.0573 139361.042 256693.7039 223245.7261 180470.4599 281861.2386 206399 123302.6964 239007.9467 275282.0716 235539.3807 177206.119 165298.351 264465.6918 185299.1966 170221.7924 278882.6384 149767.5058 169586.7726 152370.0462 157911.5505 217579.5305 159093.6176 141870.5956 190573.8591 183723.8398 170780.0725 171037.3685 229088.0885 224832.288 234281.7365 238218.903 252544.8995 225213.0884 241067.0977 251156.5723 229233.4507 236172.5701 241900.6336 146.4022938 136.5559497 136.1600502 155.0515026 160.3426337 154.6460707 PC(32:0)>PC(16:0_16:0)_M+H2CO2_feature2 682215.0621 713958.8809 761996.5739 804338.6685 667008.7009 739824.7862 937597.8754 926112.5521 815060.7082 880947.8898 761952.6847 777598.0628 838381.9236 864449.0262 810096.6579 905541.6871 719475.3277 917844.2558 934569.7428 730345.9779 638388.4377 697787.6395 893413.8923 745365.7009 783707.8863 704844.614 979072.5472 848646.5891 850745.9978 1003112.694 857018.212 798347.7052 927127.7314 959744.2329 816475.5381 1029013.068 955005.7147 1041999.978 841700.2158 703289.0195 962975.0527 746106.5368 749761.6824 772914.1698 787990.6086 963533.035 786210.8131 943960.7494 1127163.449 1013191.142 725656.3343 765772.9613 631956.9482 697234.035 815406.3276 843004.1629 876819.6126 856440.124 825032.4883 805148.3287 860046.3548 808787.2726 866971.6886 325.4456381 330.52803 342.3082954 396.8358408 413.8218704 397.8138823 PC(30:0)>PC(14:0_16:0)_M+H2CO2_feature1 18249.63246 20337.6543 44432.47065 35390.25185 36758.11902 54965.68459 25610.23942 25270.85929 24451.14552 36058.82794 27333.02819 23553.78648 35603.45362 36218.50146 27918.93929 70542.21174 35401.59125 48523.89531 38112.08853 44522.03209 19431.8306 28154.20918 21283.02264 30131.34924 28307.50454 21489.86505 33092.75258 31540.53627 28642.57086 39647.32035 26133.22294 18203.26649 27511.78335 40408.50555 25924.69347 28220.94543 23442.30996 32455.04121 24906.9674 19489.35032 48214.85459 19496.80761 24855.87394 21443.14518 23229.32053 38184.35349 24921.14483 21879.35568 35510.43545 28724.875 24278.98641 22570.4613 23689.31347 27244.10728 27286.36677 31924.7259 30517.91911 36647.36779 28892.54691 29853.54419 31169.98039 29941.82659 30009.12909 153.851887 136.2115206 143.4086886 183.9346412 181.8099685 179.0679563 LPE(O-15:0)_feature1 34551.88666 36190.88392 34979.7307 31711.36835 29594.12008 33927.24274 38242.04734 34884.19926 35111.47076 33053.47555 35352.57645 36489.2242 35960.44365 34251.03685 32633.6366 39577.64699 33717.54172 39560.0587 33521.74182 33383.47419 33149.86386 36140.78694 32126.25283 32828.06167 37588.68534 34164.56735 34615.04341 36096.74878 37045.57704 35951.66054 34068.51349 35504.99797 31215.06593 32412.43673 33535.62708 34358.4327 35390.72449 31301.67464 34490.66762 35461.53418 36365.73584 34977.16233 34132.72518 34746.69639 34860.57768 36445.93366 36390.49795 35372.39121 34481.74578 33757.10761 30604.28016 32030.31441 32783.62236 33352.33301 34871.64809 35880.90057 34561.25987 34712.20781 35367.69162 34793.49763 34199.71764 35344.0241 35677.47877 117.0842224 111.7071449 114.7801501 136.4859593 127.7199898 127.3243988 LPE(20:4)>LPE(20:4/0:0)_and_LPE(0:0/20:4)_feature1and2 48876.17037 75433.63788 53114.66479 59615.59789 49388.86976 53799.74206 95094.96519 64399.10664 55746.46308 44725.62095 38601.99731 36551.36025 38367.95219 43365.37 41178.09538 61067.32255 42530.98949 59319.7031 56537.91691 51029.82923 30555.38776 69359.40961 55269.58223 46162.368 51632.02264 29246.36768 39767.9525 32369.73386 44030.16537 61309.84388 50946.81762 51122.46357 69943.63701 85594.01123 50293.02313 53362.54603 71521.76539 64577.11245 63023.0747 22354.89773 63029.64027 29673.21785 39399.89813 38989.60978 31691.07481 73417.11542 38948.80082 48034.12628 73754.97821 84065.23227 50017.73677 49647.13612 48779.10763 48798.43555 52140.47858 54007.25998 55948.40555 51846.74205 52089.43524 52792.01055 50277.95861 54183.27818 55535.45079 172.8568513 179.0208238 195.4177683 205.3698296 209.7716574 207.9190828 LPE(18:0)>LPE(18:0/0:0)_and_LPE(0:0/18:0)_feature1and2 161874.5087 193170.5924 194503.1296 153312.6087 183688.6083 287782.8139 195848.7996 139897.3984 137261.0643 135341.2922 164116.8488 139379.2849 176774.9083 190382.1153 179737.7334 259566.9776 145898.351 209467.7798 252678.7913 220094.0082 106709.9207 147744.5844 184176.6555 130423.2638 115486.3794 140150.455 204814.0583 154615.9143 148881.8674 254525.6462 157782.0121 148743.0856 178726.4735 177060.1734 123148.7606 231556.9195 210116.3391 226005.0071 194252.8083 117754.0681 233568.794 143551.1381 176008.7804 201939.9827 176701.2319 305151.6837 179107.1073 202879.7899 290766.0526 256888.6199 103160.7065 107785.7268 96837.43436 102504.491 179412.0611 189493.3041 186397.7373 181373.5068 173982.2124 181141.6671 186683.5442 181921.8468 185986.134 106.6238752 95.1994842 95.75744364 119.1727563 110.5622047 112.2928826 LPE(16:0)>LPE(16:0/0:0)_and_LPE(0:0/16:0)_feature1and2 155935.9835 135912.8544 159496.2287 133801.5185 149286.2797 209719.9626 176425.6984 131698.2839 116911.976 108398.0897 102335.2885 80762.32585 110998.86 135217.1931 101488.8381 191508.8903 99826.28209 145648.8089 162630.0478 130768.537 93589.12618 116676.5518 143383.2921 111384.5919 93083.48227 96734.93929 132739.2499 102941.105 94476.72105 177424.9942 130387.1336 111591.6879 142213.5973 153117.3879 100476.8164 173192.2841 172734.4069 183162.8758 157339.5251 97828.01211 133773.9255 91187.16687 101626.3796 108903.4047 100642.7014 163402.5681 109725.9722 115206.1544 173890.7236 135070.2604 76490.46195 81589.11317 79936.12193 83021.94873 127479.1644 130852.671 134437.7435 126752.2568 126604.2637 126926.6028 130654.4155 126876.4864 133198.7618 145.8474113 130.7068412 131.4644262 156.9505375 149.6667742 147.578794 LPC(20:4)>LPC(20:4/0:0)_and_LPC(0:0/20:4)_M+H2CO2_feature1and2 151235.8778 150713.7829 169679.0493 121145.7492 119730.7803 166080.4056 220379.1016 195190.6183 127173.9656 140455.1427 108196.0105 86959.36706 114594.1191 142166.5239 111552.0185 174811.0169 116675.0923 176864.6228 160726.9492 131591.0406 98801.27319 113550.2232 159093.9219 118973.6767 116849.8666 97394.60062 140789.9089 125152.4285 114115.1624 176846.8399 159861.8457 118789.906 147211.654 178019.7965 119748.4708 180212.9283 264239.9883 204391.4892 182080.0485 119212.2988 139603.8463 87805.50028 104216.5012 145694.9568 110285.26 182850.7983 123908.3525 124470.5191 206711.1974 191722.7565 142781.3831 160308.2816 132235.0255 148038.5005 141020.5267 147667.4968 147009.7708 142853.7412 146802.3948 146849.6799 149998.4228 132017.3743 149832.3385 194.8695615 199.1914482 217.466743 235.2436038 233.950247 227.6826243 LPC(18:1)>LPC(18:1/0:0)_and_LPC(0:0/18:1)_M+H2CO2_feature1and2 85737.05666 68654.07014 86891.03277 73944.76187 70664.18387 101238.9545 73573.42928 84688.20306 54629.56708 53087.70002 47193.77542 35016.26635 58717.69194 97510.00525 44519.01494 97261.91047 54276.33981 74919.52841 77156.60812 64336.99464 42641.40896 66458.39841 71401.67428 48229.43772 48432.20785 44395.99048 63447.57588 59342.71303 49858.61674 85962.9544 56765.60386 48080.37717 59011.27743 71933.51822 55230.46846 69765.2571 87414.457 80216.20454 74168.65168 50399.85571 52732.34862 35224.64873 53842.87804 52500.89446 42288.96408 60850.1675 39202.32246 36082.61194 65351.96818 57405.80303 54410.69773 51694.16415 65244.0572 55539.62606 62077.66127 62817.34248 71027.70736 62337.26579 58559.93117 59419.17503 61137.91337 71386.76819 62359.81107 189.1561312 169.3083359 170.0774071 186.8995912 177.9991794 175.7243149 LPC(18:0)>LPC(18:0/0:0)_and_LPC(0:0/18:0)_M+H2CO2_feature1and2 867157.2996 1051186.905 1002926.834 1017156.109 892154.7995 1200224.941 1169718.767 960767.9689 940918.3017 940505.5127 1245283.158 971414.917 1159300.682 1481392.815 1210732.273 1386939.954 1137699.619 1463073.327 1418041.541 1205261.62 664784.7276 950755.8464 1100301.091 892218.3313 850648.1239 991990.2902 1301105.27 1238491.627 1238652.729 1502812.272 1115209.984 944951.3312 1137693.343 1239274.475 947678.8147 1549936.24 1312087.126 1394728.297 1107132.311 855777.6896 1393533.584 1028486.045 1110638.739 1316408.844 1053716.808 1754950.56 1348188.656 1428519.762 2019146.137 1693826.409 688596.2008 837583.2048 753251.6277 774570.9703 1223736.357 1147175.878 1208163.168 1206361.312 1162201.852 1278016.67 1257104.028 1136159.814 1168067.346 163.988563 92.63585869 146.4089863 381.989961 226.8082472 661.1421131 LPC(16:0)>LPC(16:0/0:0) 2M + H2CO2_feature2 641170.554 709884.6357 790337.8074 768412.6273 728855.5709 959959.4628 833338.4543 718314.9226 663103.5573 609447.084 514783.2136 427292.6389 557646.1612 670860.6117 509295.4411 789913.1096 529752.9047 727997.3982 727328.728 600289.2176 510089.3552 682683.1483 687723.1311 604037.8328 582548.7212 481401.7101 619858.5228 615712.0957 556061.264 736635.8583 701007.0161 610751.7947 740713.0163 839773.1959 626451.9885 874597.4117 862342.8095 892601.5777 737381.9389 573561.7798 665353.6806 443867.4078 503908.6644 541999.2131 531092.1485 695139.0237 508027.0101 546474.9208 785770.4079 707984.2985 535685.4669 569519.9592 531812.5992 553005.0664 651695.6652 689529.0492 702772.2746 628773.6922 639770.5313 643768.3129 711526.8829 669708.9375 658490.1745 397.8845653 141.3520768 145.9253496 166.6991344 513.569721 607.1735046 HexCer(d42:1) M+ H2CO2_feature2 70677.89969 82561.99937 118131.017 104685.6287 94507.52678 107904.831 132047.3111 89057.63176 90721.34194 99855.15508 217575.4826 186020.3971 258167.3988 383525.7723 233318.8256 331754.0092 269138.0193 303295.1625 349658.1118 283423.9262 71933.93743 107850.9618 108684.0705 81169.4592 99163.40185 278122.2001 253820.3358 247623.0461 255489.8336 380409.9444 105226.6953 88905.00753 138585.4001 128575.0702 106158.7211 120684.9014 124896.9308 135943.4693 103061.4473 80633.66471 334920.8438 168179.803 236347.9152 297238.345 268684.4106 411203.36 245139.5922 241040.0131 434118.4515 350613.0435 85821.33465 88620.34095 75750.61386 76588.67207 188628.2687 186595.3699 183523.5974 189375.2575 189352.6593 187434.3862 184407.3162 197123.6742 180202.42 129.4986984 122.7866363 132.0007759 129.2121879 135.3796683 135.5818843 HexCer(d42:0-OH)_M+H2CO2_feature1 10016.10862 12404.47978 18935.27145 15561.0896 14992.78089 20023.41677 22469.36853 12571.6587 13355.12304 17512.19814 22206.91663 23055.44459 30872.50346 30585.51161 28358.32393 45954.9385 33954.16964 31384.78527 33078.47778 34785.30983 10361.70901 15584.69729 16950.36658 13423.55286 18031.15227 20745.42134 28703.78445 27756.77024 29396.84904 41905.64425 16840.36773 13629.45056 25837.52744 23691.32317 16925.0733 18087.41324 19810.52989 22160.86124 17394.25614 11614.91913 37648.93737 18644.22903 27305.36493 30335.24286 29596.65113 40271.73357 26965.69179 29077.27413 42760.29142 36407.99444 14589.55862 14632.89339 12391.79254 11642.34949 22148.28611 22331.46382 23797.48062 22464.4488 20739.16023 22019.65708 21585.94758 23420.91155 22919.42825 116.6060543 107.1748 139.4947247 133.0759556 139.2617884 130.5225477 HexCer(d40:1)_M+H2CO2_feature2 19796.53503 23442.04624 26779.05395 31006.50709 28942.97224 30607.87166 39863.14981 26799.85396 27111.86687 31953.2841 102417.4253 85981.66206 97683.78603 180948.2132 89981.51232 125018.1047 100321.5297 116541.174 140469.1502 120277.0632 19350.99498 27197.48466 27136.84016 23253.25537 27485.73652 97528.94761 111880.0845 93496.18043 94649.19465 148637.8935 29781.09024 22219.94042 33327.13121 40903.43982 30176.13621 34005.64396 28770.43305 49068.78091 21248.54909 22279.97908 150392.4421 64816.56631 91060.9831 124701.5209 107805.6707 153962.959 89350.85281 89632.66506 168095.4706 156341.6591 27218.38028 29171.0713 25583.97005 22909.67189 73710.29705 76667.00617 54178.57538 69898.7379 69997.84039 69435.57158 71285.3997 71225.54147 69244.90629 111.2063937 105.6244493 116.4838542 112.6411006 117.2010847 133.430155 CL(74:11)_feature2 53370.73448 104777.1798 62466.14273 61983.76587 55148.71759 78759.91019 108031.5459 75551.45687 66379.41344 64244.08217 58920.65383 58714.15234 25223.16856 59111.12321 57018.17912 79077.37804 47382.3 104053.2006 61336.66213 70335.71456 52163.34824 80076.48768 75854.58721 57460.1306 70437.69185 50369.90843 77345.6951 80130.46848 74682.34388 88640.87499 61356.16783 65553.44918 74285.53825 65695.37948 66588.36682 87057.5048 81536.3263 97121.7497 77542.25814 53000.15238 87308.166 82574.60745 58687.83296 67761.05458 68614.31391 75578.44176 66178.83321 74794.42887 108340.8591 94777.96974 51328.79857 55043.04196 36919.99763 35416.86914 71627.97459 61841.91332 59269.64571 75816.70344 75675.96137 62338.74586 70894.96661 69641.27462 61949.30754 200.8322651 197.1840315 227.1709123 180.276823 187.2286335 173.1746744 CL(74:10)_feature1 37190.55695 59023.63275 41890.73604 36970.35233 28720.55797 40710.20863 73517.52739 50988.9003 41975.22682 34722.7487 46545.5941 44645.10974 39057.28738 42356.25484 27297.5093 50543.72793 31627.16198 55961.48253 49990.92164 47163.9032 27259.24767 31547.93662 43791.50394 28363.57336 38033.28416 31845.15554 64757.98265 52512.37818 50337.52219 64233.5929 40355.97311 36346.72559 50343.13231 35672.15484 46875.79547 63365.2099 52888.15208 63831.40061 43367.87569 34470.5452 63467.72799 53073.69584 35919.67311 40628.9648 39637.20984 56610.33106 41464.11859 55176.56303 52484.25855 64226.6185 31144.98779 24442.04009 23067.58039 14399.72868 40092.42716 34333.7741 40391.53394 46925.18253 46094.48547 47614.98688 39421.67727 39665.3956 36314.83918 237.3620875 229.1139755 235.2609632 175.8476637 194.1994693 175.5274298 CL(72:8)_feature1 164464.6214 400080.0485 226789.7613 213145.8809 172055.6982 279691.2621 464197.1301 222165.1985 206580.5972 158921.5328 196990.7691 187358.5445 203012.4539 156418.2877 175609.2089 266779.1932 165125.3885 286951.6811 224621.2584 229546.2835 153561.2042 290060.5692 277817.4624 173200.3233 271505.5311 178765.3773 280454.1912 254757.0417 295075.1122 337762.5775 190829.3576 208655.8798 231412.7663 227882.2747 203493.3516 379085.9445 311183.3282 331419.3442 257878.1968 175949.9326 382159.7459 270166.8335 175446.3969 200872.3158 211045.5513 238125.9478 211953.0408 249454.678 360819.7426 292262.617 164011.0602 187920.0158 105675.0267 113302.4954 218256.5574 240741.7489 249712.5804 238890.4009 244192.6131 224243.8395 248168.3175 226325.3938 233280.5787 606.7070836 651.8567705 751.029805 608.1864685 493.5434387 725.3363467 CL(72:7)_feature1 99839.49751 208858.8767 125996.3737 117121.4933 88781.08693 143056.7253 280308.5249 148420.6345 125657.0895 112836.6193 162158.4774 130930.644 124587.5593 139434.3885 107478.2309 175458.4411 104814.5811 203971.0426 161643.9291 143073.1428 76184.50584 133994.0432 126021.5663 98635.58071 156132.3087 111741.1056 223751.6825 156052.6922 195525.5072 218942.5354 109481.0375 119927.5556 134971.1926 142038.2585 143833.2965 239476.4349 181429.1132 210524.2816 143135.6115 104406.6172 231632.9185 162258.2452 151473.8334 165545.2674 146848.5173 179358.4142 142206.7587 184060.9966 250562.098 207731.0654 70051.38552 82277.64745 53030.06133 60794.49749 143118.9917 155398.6904 185906.0615 152099.6909 148402.5381 164054.6715 148175.9024 157200.3904 159579.7521 714.4418889 816.8623553 872.9899604 675.3125603 835.493583 901.9234339 CL(72:6)_feature1 16672.56671 31974.20293 18664.2536 18611.71618 13617.06205 21796.6264 43277.309 23048.95986 20546.68715 17869.27021 25041.75891 20453.33547 19681.21471 23218.32093 17155.48117 29200.52919 16808.45244 31952.68207 25606.45203 23197.78823 11884.61999 20063.3162 21055.68966 15140.17538 23259.60804 18582.74209 37466.57347 24450.17906 29322.52014 34216.32252 17657.8343 18427.60646 21710.38627 21349.3209 22278.38606 36043.44513 26975.09657 34529.87732 21322.02258 16642.70823 33339.15274 24950.33331 22917.06803 26748.63351 23405.42527 27269.28278 22055.25432 28834.13706 36299.16275 33080.58191 12727.39417 12835.2129 8754.045674 8451.533045 21825.47698 22570.32453 26508.26989 23881.75915 23685.1191 25430.98206 22242.19754 23095.03708 23291.2283 206.4747428 199.9735235 206.0281704 183.789562 200.8610634 184.2237193 Cholesterol sulfate_feature1 70198.53821 72822.88195 87607.40767 98392.56753 84149.63122 92159.54127 99929.22973 68336.52187 84781.74119 82872.37843 249016.8766 261740.216 212507.7026 208197.7432 220160.3758 366214.0633 232586.2905 336218.1582 247256.0497 262422.9597 63486.38768 83549.92945 76539.41574 77317.15452 78268.59107 190908.8326 308717.9661 322706.2677 240123.5717 311948.6511 79199.73655 68989.56061 127857.5113 104630.7585 78403.30521 91354.663 100698.5546 118359.5824 97022.49627 56125.01065 309646.2262 271864.7021 225128.83 306819.3143 245651.2515 323162.9459 246925.3595 290396.4162 325149.5122 360598.6276 81822.02771 85305.8552 73425.33767 77509.69231 173572.1188 182862.3255 183620.9664 168286.2744 178504.3586 172542.5477 184752.6791 173608.3221 179142.265 106.2370841 99.9519982 107.6969513 122.1518175 162.1413676 117.6303657 Cer(d44:2)_M+H2CO2_feature2 88982.92458 106332.5381 93416.633 103682.0037 83908.72861 77965.47633 127286.9882 96396.70331 95111.81155 107454.9615 79708.70611 118472.7643 107745.3831 130495.673 87329.10719 162534.2233 103174.2187 130709.1061 126909.7615 108549.3587 65869.88608 74532.05413 116865.1928 100976.9633 75468.36251 92134.00055 105905.5841 112495.8881 110307.3522 176922.4092 94473.14856 82733.67554 144334.5536 131394.791 116073.5365 151406.5544 129678.3128 139552.6915 118559.9143 82452.98625 132672.7622 104819.6361 115135.8361 117687.9975 103173.9047 153871.9975 95148.62123 139088.9967 141989.983 149619.6287 88461.10756 81892.10194 71804.80418 67984.62851 104433.946 103669.2702 97161.77555 107800.4492 111159.8531 102530.8857 103820.2723 107359.6375 98838.77986 185.883542 178.0482633 195.7337532 177.2230163 181.8605163 178.2504181 Cer(d44:1)_M+H2CO2_feature1 57264.44275 67906.68403 66273.90144 77800.01901 58985.40368 60420.07104 86070.57436 62498.87265 65951.56728 69335.44851 59997.08541 83040.72053 67822.39515 85773.80184 62792.89419 105263.5396 84381.91484 91424.37159 93253.89008 86725.3902 43185.21354 56361.15469 76853.32971 71289.848 50484.19166 69243.89825 78671.97687 85234.49272 80302.12759 126945.1805 67880.57848 62518.81991 88819.2472 87384.37235 74962.42173 99308.94925 86929.307 101039.5561 78003.69134 53530.926 87545.77942 67315.36391 65098.87992 74339.46842 65458.55503 103857.8844 66249.9669 83106.79025 102987.1665 99934.73551 56761.22734 51232.23981 46612.40972 42522.59844 69676.43598 67011.21919 61587.73008 75081.26828 75717.39263 70735.40679 67406.57424 67607.12844 66698.8021 175.8513359 170.4787298 186.5916733 166.900666 180.5290808 166.674374 Cer(d43:1)_M+H2CO2_feature1 107826.35 96877.18323 111249.0973 143561.3253 110030.4721 97053.36475 152034.489 176643.9005 134200.8948 91461.49614 89944.40494 134263.0008 126322.1249 130566.449 99307.6115 126920.5194 101027.889 126050.1688 152506.2657 144677.3325 109232.0301 4663.453245 189201.9687 85007.49355 1553.059574 101988.8973 135960.4142 128032.8716 130216.315 185475.8936 19147.75165 131793.6232 132663.5042 111185.907 11030.39049 191767.5436 157742.6818 143576.2928 11212.86512 114867.2998 135845.1177 97349.92493 99769.81742 130209.2882 116957.409 153419.0964 96618.72429 125000.1805 142585.2782 164625.3762 142135.5162 70279.54156 4161.220665 9155.218815 96609.76786 88233.27502 122567.8348 137523.4287 130814.6827 117237.6848 79582.39364 112833.3838 112522.2344 238.1249191 201.6034799 210.8151928 153.8417156 155.3557994 144.9986558 Cer(d42:2)_M+H2CO2_feature4 302204.0426 270069.0076 316079.7841 273063.1528 268591.4076 274701.2119 284473.9809 307733.6118 282546.2471 273869.6481 195127.3919 238309.8764 289818.2278 274237.4188 240702.5288 400422.0807 248446.6689 327188.8869 368341.8542 347024.5315 194838.0789 260432.6015 310117.3968 257988.8977 178074.285 194792.9699 246405.2359 286312.0193 162893.0253 263519.0993 283085.8485 219336.5419 351235.3837 317428.2601 228295.0422 342403.2405 281776.0471 359715.9485 288069.0129 203590.9914 299913.8472 233565.5186 202744.1411 212199.3934 204621.2881 311637.5597 139608.3499 227933.5432 301676.452 259665.8388 321107.4552 258427.8996 225628.1033 186600.4316 249275.67 245450.8686 230587.6019 268319.3981 247979.1935 252689.6773 238145.4712 249879.6828 246421.1591 170.0071134 162.17651 174.8561121 141.0530662 151.6116592 140.8439988 Cer(d42:2)_M+H2CO2_feature3 1083283.336 862626.567 1015241.317 811557.9644 914274.9922 864520.7878 1018113.664 1209474.761 848805.803 889225.5104 614338.6259 827007.3335 838172.5486 1009312.428 635278.8671 853946.5289 609365.8201 885005.1599 1070968.128 872165.6661 684442.1146 751761.5101 1041629.425 827498.7473 623721.2483 702648.6205 767968.0399 811357.6706 687884.6638 1257996.995 980672.5849 847177.8846 1441856.45 1133055.896 1043868.397 1221432.609 1018880.055 1405402.22 898388.2883 818533.9638 868911.1872 717440.2382 670767.2318 1017845.404 701062.9875 1113494.329 644098.3573 894686.9116 1014228.237 1169479.039 1172350.989 843022.489 759847.6897 594122.4589 824926.245 751699.4976 623612.5226 870925.3954 881933.7184 845889.9617 753366.6131 798427.3762 723784.7112 173.0198835 161.8081552 190.1914904 128.0000938 132.7751324 119.7917741 Cer(d42:1)_M+H2CO2_feature2 3866241.338 3697433.084 4219518.072 3760420.931 3823761.496 3816780.762 3999902.65 4165191.614 3725249.794 3772565.627 2444715.707 2906238.918 3366180.351 3390181.301 2801193.975 3498656.489 2680700.805 3144721.641 3570193.702 3861096.223 2875412.898 3428290.882 4497440.774 4244582.099 3071511.749 2606561.268 3585808.968 3173432.472 3009169.105 3922705.915 3890082.445 3553456.448 4899009.616 4644176.744 3944912.459 4722821.297 4192310.481 5115057.625 3992275.905 3287904.173 3315861.068 2589296.975 2898904.98 3492532.964 2905946.435 3728916.47 2871026.6 3233742.582 3931252.552 3935349.746 3609972.915 3163838.627 3062084.707 2689254.295 3537913.31 3286242.991 2934695.267 3450545.3 3628440.65 3471533.258 3303099.759 3350138.014 3259410.123 563.1291479 516.1818892 570.7881597 498.127255 511.6476923 492.3576887 Cer(d42:0)_M+H2CO2_feature1 127373.7023 114076.5593 98693.58826 104017.5071 98755.86949 96898.83632 90189.52665 135924.9991 107023.6664 117000.2026 74909.38219 51909.433 76074.74912 95936.28312 68868.5592 53327.01633 49516.41081 80494.2554 117969.1822 63127.23917 108834.6562 115211.7589 156518.5287 129097.2221 62132.954 46429.39363 70598.85796 63490.94984 59418.76437 84337.5951 157248.1165 108462.2228 143251.0537 169264.8815 122426.4011 157560.9192 161613.459 149928.9251 120886.1793 92457.53412 116006.8371 59436.36514 76118.816 103082.5339 61810.0001 140489.5257 42826.68851 82265.70753 173930.5568 104042.2849 60851.19544 54098.7595 67700.11604 53849.77542 86193.10913 82901.91256 73704.49241 105101.0167 98898.92769 90040.10464 86655.54021 83717.14118 82409.22489 181.0933967 177.427076 203.9787526 140.6021462 146.4850942 136.3352161 Cer(d41:2)_M+H2CO2_feature1 77443.21643 82617.79262 97846.55006 70415.33661 95273.53175 84761.99704 76074.33672 107149.3405 78944.0112 84616.17494 58756.38878 91743.78469 98834.07855 100922.3957 79131.17348 108136.2007 80923.262 103414.3391 118383.9729 138012.2783 59948.57789 70043.07412 104710.753 66612.67813 53099.22912 71488.02729 81037.86549 94267.65595 83339.38402 139055.9048 84317.7201 71881.61688 107879.6116 92471.74527 63574.30135 94202.71814 69175.65468 106701.8612 76977.25012 53991.20496 88607.63634 87412.62966 66042.3866 129756.9921 65425.72031 95556.58659 66314.29353 74161.78858 94773.85137 131502.9489 128419.5557 79714.16782 85431.66188 53395.95629 78994.40359 65356.25764 54811.91002 85625.98761 77088.31291 78772.33028 70844.45455 67010.11438 70767.12598 173.9200301 149.6987854 160.7618363 103.6599675 107.1533338 103.5446327 Cer(d41:1)_M+H2CO2_feature1 570654.2421 575183.1835 733737.2885 559006.1231 579625.7812 631031.928 620279.6948 726517.2127 565017.0712 591498.2144 446213.4066 580855.7391 604525.2344 619289.1324 498785.3509 628579.6284 484630.3226 615038.3337 701123.7756 688317.1581 391894.6097 509505.6075 620503.2646 514731.1399 418511.4065 448261.7201 615355.369 547735.9473 536367.8259 806134.2843 652380.6827 558335.7439 730778.744 707876.1592 541761.3548 715434.5556 610276.8473 789571.9861 534591.2884 456629.9328 623660.9693 399613.3416 466174.0302 669587.7181 465475.402 690244.3018 471504.5586 571774.2216 741785.6413 779527.2286 595459.4572 521956.0202 405138.666 355730.1816 569239.6386 519280.5173 503416.3034 542843.4515 555078.8356 574179.9609 564711.0004 499917.5092 535307.9317 143.3890484 132.9144384 148.9912629 126.1882511 134.7292408 131.2052539 Cer(d40:2)_M+H2CO2_feature2 26849.00611 22449.90709 28291.7239 24037.00751 29079.18263 25475.99338 29128.89084 28046.89768 23794.47546 29473.30972 21697.85304 33821.60754 29589.92268 41468.56319 26955.827 34236.63227 28929.44626 47334.89316 54133.49612 39780.81366 18838.48335 24497.74253 31308.54341 25669.83745 18266.03602 24485.59383 27543.72006 37462.94425 32055.01859 47636.90354 27082.96633 22618.4857 40603.92748 35823.6163 26655.04826 34165.87932 28253.59964 36952.88685 24423.18165 16157.79611 36730.25759 28020.53739 20126.82636 37159.66426 20547.54235 41422.32806 21654.72185 25491.87425 38431.68872 56159.97975 43482.68414 31564.43448 24914.12267 18510.1249 28515.87283 24683.45891 26923.9223 31642.46718 28627.96034 29384.12028 27838.80771 27834.02828 26019.20205 167.0890105 146.9750553 165.9003155 135.1035273 135.4784588 125.6120402 Cer(d40:2)_M+H2CO2_feature1 38007.21741 37755.42014 29899.62435 37784.63943 38498.92707 31029.13559 46083.1971 48331.49095 37049.31919 47614.90311 24132.9583 38483.63266 62006.53499 79769.20364 25269.85641 48253.23075 40167.3849 58572.0035 54413.51989 45428.24533 29589.05736 38039.05331 53154.22065 46259.3185 30017.67863 36491.31521 49442.98012 32760.7224 40181.60822 84050.52039 46794.50428 39363.99544 77351.78437 63629.31477 56728.13837 60864.31851 59205.55532 79849.59519 53127.87238 38271.84589 48037.56169 38719.46654 44344.61911 60109.18402 47771.33614 66322.42893 33996.57625 57530.22843 80790.96877 66487.28797 76618.20326 55382.82409 34208.10076 34496.22989 53090.13253 46140.55381 24441.11154 48988.41523 40366.46805 41215.92341 47336.37345 44774.93784 43115.59868 131.5678773 143.4682564 136.5092642 111.2583247 110.3215044 119.7428868 Cer(d40:1)_M+H2CO2_feature1 449950.5337 362911.1447 439651.1234 386359.918 394020.6678 427870.356 447905.5341 476698.8438 394808.4196 426953.0201 300143.415 423520.4599 404602.59 466040.2548 317892.3048 430450.2607 325872.9531 482879.3654 536116.6544 467457.6593 282754.2463 356828.269 452322.3572 383579.1979 294895.9004 329440.6649 385961.5049 446561.3224 383035.5063 621596.9189 433169.8171 364377.9225 568802.2692 536305.9832 456511.9902 553844.6722 453665.8706 624565.0756 401448.3078 345629.4502 490233.9707 330291.3766 327915.3429 439998.6965 340310.0162 543276.1668 332692.5941 410691.8901 547949.7253 601036.9488 490035.1077 424178.8518 347386.5782 295264.602 395819.4444 367074.1709 335095.4499 438656.5856 422159.4155 388439.5938 392116.6521 385382.7362 361491.0589 148.0506063 139.8199525 149.7174637 115.5707167 120.6929502 120.4805732 Cer(d38:1)_M+H2CO2_feature1 34636.14046 31126.61771 34537.1714 38483.33446 33015.90769 31741.32542 41091.83883 43127.41975 33516.64446 40700.84454 38223.75594 50696.23849 52844.51685 60471.88586 34883.69111 50535.45474 35813.05474 54964.28883 54689.00663 49866.75952 22179.00059 29323.84511 38420.71732 36197.14888 29336.29225 32883.57365 53036.41312 48146.82521 45935.19101 68475.55339 36714.29466 32084.2602 48967.0428 47545.37397 38924.25878 53062.97105 36588.74279 59278.97591 37079.80378 28740.62828 58841.85705 37225.83197 45452.53023 46606.80957 38873.57921 78350.19293 35915.30588 48770.69567 76444.20981 71833.03022 52545.03165 44744.24577 34324.59515 28122.0262 43570.10003 37173.87466 37841.8587 43324.41962 39366.56615 40938.14773 38682.07312 41530.04289 40370.63826 120.4510755 129.2232653 129.2145848 113.3670015 115.2126467 132.8349762 Cer(d34:1)_M+H2CO2_feature1 290210.0612 324702.4962 337055.6332 288680.8528 295700.3258 315795.5918 331386.4881 349944.2836 280754.4709 319951.5179 112016.1265 109997.2685 81986.41481 131872.3518 129240.1613 124655.398 97800.82078 124807.5939 139389.4144 109460.2453 241825.2465 294151.3728 396390.1257 322669.036 269131.6838 88217.43389 123292.109 105294.1427 120807.4509 153432.9224 357692.1476 314448.8132 413677.9447 373832.9356 344134.1663 417642.7873 347039.817 399591.8123 302513.968 286197.6833 148303.9544 115332.8333 113432.1866 120541.8321 112872.6657 153564.9439 100221.0448 127789.3864 169836.856 161866.1113 655408.6005 635418.5908 278422.7447 265695.2971 234632.6314 229351.4269 236039.4204 238888.4959 228057.6641 224626.0337 244437.7793 233484.6798 229872.9642 154.2254203 142.7267302 148.5945061 167.4151619 167.011476 162.5625624 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name formula mz neutral_mass refmet_name rt GTInternalStandard_SM(d36:2(d9))>SM(d18:1/18:1(9z,d9))_M+H2CO2_feature1 C42 H74 D9 N2 O8 P 782.6384534 783.6457 GTInternalStandard_SM(d36:2(d9))>SM(d18:1/18:1(9z,d9))_[iSTD] 4.47 GTInternalStandard_PG(33:1(d7))>PG(15:0/18:1(9z,d7))_feature1 C39 H68 D7 O10 P 740.5468134 741.5541 GTInternalStandard_PG(33:1(d7))>PG(15:0/18:1(9z,d7))_[iSTD] 4.49 GTInternalStandard_PE(33:1(d7))>PE(15:0/18:1(9z,d7))_feature1 C38 H67 D7 N O8 P 709.5523034 710.5596 GTInternalStandard_PE(33:1(d7))>PE(15:0/18:1(9z,d7))_[iSTD] 5.08 GTInternalStandard_PE(18:1(d7))>PE(18:1(9z,d7)/0:0)_and_PE(18:1(d7))>PE(0:0/18:1(9z,d7))_feature1 C23 H39 D7 N O7 P 485.3376134 486.3449 GTInternalStandard_PE(18:1(d7))>PE(18:1(9z,d7)/0:0)_and_PE(18:1(d7))>PE(0:0/18:1(9z,d7))_[iSTD] 2.33 GTInternalStandard_PC(33:1(d7))>PC(15:0/18:1(9z,d7))_M+H2CO2_feature1 C42 H75 D7 N O10 P 797.6049034 798.6122 GTInternalStandard_PC(33:1(d7))>PC(15:0/18:1(9z,d7))_[iSTD] 4.84 GTInternalStandard_PC(18:1(d7))>PC(18:1(9z,d7)/0:0)_and_PC(18:1(d7))>PC(0:0/18:1(9z,d7))_M+H2CO2_feature1 C27 H47 D7 N O9 P 573.3903034 574.3976 GTInternalStandard_PC(18:1(d7))>PC(18:1(9z,d7)/0:0)_and_PC(18:1(d7))>PC(0:0/18:1(9z,d7))_[iSTD] 2.28 GTInternalStandard_PS(33:1(d7))>PS(15:0/18:1(9z,d7))_feature1 C39 H67 D7 N O10 P 753.5417134 754.549 GTInternalStandard_PS(33:1(d7))>PS(15:0/18:1(9z,d7))_[iSTD] 4.42 SM(d44:2)_M+H2CO2_feature1 C50 H99 N2 O8 P 885.7075734 886.7149 SM(d44:2)_ln_a 7.13 SM(d44:1)_M+H2CO2_feature1 C50 H101 N2 O8 P 887.7235234 888.7308 SM(d44:1) 7.47 SM(d43:2)_feature2 C49 H97 N2 O8 P 871.6918934 872.6992 SM(d43:2)_ln_b 7.01 SM(d43:1)_feature1 C49 H99 N2 O8 P 873.7077534 874.715 SM(d43:1)_ln_a 7.27 SM(d42:3)_M+H2CO2_feature1 C48 H93 N2 O8 P 855.6607234 856.668 SM(d42:3)_ln_a 6.29 SM(d42:2)_M+H2CO2_feature2 C48 H95 N2 O8 P 857.6776734 858.685 SM(d42:2)_ln_b 6.84 SM(d42:1)_M+H2CO2_feature2 C48 H97 N2 O8 P 859.6933834 860.7007 SM(d42:1)_ln_b 7.17 SM(d41:2)_M+H2CO2_feature2and3 C47 H93 N2 O8 P 843.6609434 844.6682 SM(d41:2)_ln_bc 6.76 SM(d41:1)_M+H2CO2_feature1 C47 H95 N2 O8 P 845.6775834 846.6849 SM(d41:1) 7.04 SM(d40:2)_M+H2CO2_feature2 C46 H91 N2 O8 P 829.6450534 830.6523 SM(d40:2)_ln_b 6.41 SM(d40:2)_M+H2CO2_feature1 C46 H91 N2 O8 P 829.6450534 830.6523 SM(d40:2)_ln_a 6.16 SM(d40:1)_M+H2CO2_feature2 C46 H93 N2 O8 P 831.6619434 832.6692 SM(d40:1)_ln_b 6.88 SM(d40:0-OH)_feature1 C46 H95 N2 O9 P 849.6630534 850.6703 SM(d40:0-OH) 7.17 SM(d39:1)_M+H2CO2_feature2 C45 H91 N2 O8 P 817.6452034 818.6525 SM(d39:1)_ln_b 6.65 SM(d38:1)_M+H2CO2_feature2 C44 H89 N2 O8 P 803.6295134 804.6368 SM(d38:1)_ln_b 6.22 SM(d36:1)_M+H2CO2_feature1 C42 H85 N2 O8 P 775.5980234 776.6053 SM(d36:1) 5.25 SM(d34:1)_M+H2CO2_feature1 C40 H81 N2 O8 P 747.5670934 748.5744 SM(d34:1) 4.41 PS(O-40:7)>PS(O-20:3/20:4)_feature2 C48 H82 N O9 P 846.5641534 847.5714 PS(O-20:3/20:4)_ln_b 6.67 PS(O-40:7)>PS(O-20:3/20:4)_feature1 C46 H78 N O9 P 818.5327234 819.54 PS(O-20:3/20:4)_ln_a 6.11 PS(40:6)_feature3 C46 H78 N O10 P 834.5297034 835.537 PS(40:6)_ln_c 4.73 PS(40:5)_feature3 C46 H80 N O10 P 836.5449234 837.5522 PS(40:5)_ln_c 4.96 PS(38:4)>PS(18:0_20:4)_feature2 C44 H74 N O10 P 806.4984834 807.5058 PS(18:0_20:4)_ln_b 4 PS(38:4)>PS(18:0_20:4)_feature4 C44 H78 N O10 P 810.5301234 811.5374 PS(18:0_20:4)_ln_d 4.93 PS(36:4)>PS(16:0_20:4)_feature1 C42 H74 N O10 P 782.4983834 783.5057 PS(16:0_20:4) 4.16 PS(36:2)>PS(18:0_18:2)_feature4 C42 H78 N O10 P 786.5298334 787.5371 PS(18:0_18:2)_ln_d 5.05 PS(36:1)>PS(18:0_18:1)_feature1 C42 H80 N O10 P 788.5446634 789.5519 PS(18:0_18:1) 5.74 PI(40:6)>PI(18:0_22:6)_feature1 C49 H83 O13 P 909.5496434 910.5569 PI(18:0_22:6)_ln_a 4.64 PI(40:5)>PI(18:0_22:5)_feature1 C49 H85 O13 P 911.5653434 912.5726 PI(18:0_22:5)_ln_a 4.86 PI(38:6)>PI(16:0_22:6)_feature1 C47 H79 O13 P 881.5191434 882.5264 PI(16:0_22:6) 3.92 PI(38:5)>PI(18:1_20:4)_feature1 C47 H81 O13 P 883.5348734 884.5422 PI(18:1_20:4)_ln_a 4.12 PI(38:4)>PI(18:0_20:4)_feature2 C47 H83 O13 P 885.5515934 886.5589 PI(18:0_20:4)_ln_b 4.83 PI(38:3)>PI(18:0_20:3)_feature2 C47 H85 O13 P 887.5655034 888.5728 PI(18:0_20:3)_ln_b 5.17 PI(36:4)>PI(16:0_20:4)_feature1 C45 H79 O13 P 857.5197334 858.527 PI(16:0_20:4) 4.08 PI(36:2)>PI(18:0_18:2)_feature2 C45 H83 O13 P 861.5504734 862.5578 PI(18:0_18:2)_ln_b 4.95 PI(34:2)>PI(16:0_18:2)_feature1 C43 H79 O13 P 833.5195334 834.5268 PI(16:0_18:2) 4.17 PG(44:12)>PG(22:6/22:6)_feature1 C50 H75 O10 P 865.5037734 866.5111 PG(22:6/22:6) 3.18 PG(42:10)>PG(20:4_22:6)_feature1 C48 H75 O10 P 841.5034834 842.5108 PG(20:4_22:6) 3.27 PG(40:8)>PG(18:2_22:6)_feature1 C46 H75 O10 P 817.5035534 818.5108 PG(40:8)_ln_a 3.33 PG(40:7)>PG(18:1_22:6)_feature1 C46 H77 O10 P 819.5191334 820.5264 PG(18:1_22:6) 3.69 PG(36:2)>PG(18:0_18:2)_feature2 C42 H79 O10 P 773.5341134 774.5414 PG(36:2)_ln_b 5.13 PG(34:2)>PG(16:0_18:2)_feature1 C40 H75 O10 P 745.5026434 746.5099 PG(16:0_18:2) 4.33 PG(34:1)>PG(16:0_18:1)_feature1 C40 H77 O10 P 747.5184034 748.5257 PG(16:0_18:1) 4.88 PE(O-40:7)>PE(O-18:1/22:6)_and_PE(O-22:7/18:0)_feature10 C45 H78 N O7 P 774.5448734 775.5522 PE(O-40:7)_ln_j 5.86 PE(O-40:6)>PE(O-18:2/22:4)_feature2 C45 H80 N O7 P 776.5607334 777.568 PE(O-40:6)_ln_b 5.85 PE(O-40:6)>PE(O-18:1/22:5)_feature3 C45 H80 N O7 P 776.5607334 777.568 PE(O-18:1/22:5)_ln_c 6.15 PE(O-40:5)>PE(O-18:1/22:4)_feature3 C45 H82 N O7 P 778.5769634 779.5842 PE(O-18:1/22:4)_ln_c 6.67 PE(O-38:6)>PE(O-18:2/20:4)_and_PE(O-16:1/22:5)_feature2 C43 H76 N O7 P 748.5292734 749.5366 PE(O-38:6)_ln_b 5.22 PE(O-38:6)>PE(O-16:1/22:5)_feature3 C43 H76 N O7 P 748.5292734 749.5366 PE(O-16:1/22:5)_ln_c 5.52 PE(O-38:5)>PE(O-18:1/20:4)_feature6 C43 H78 N O7 P 750.5459134 751.5532 PE(O-18:1/20:4)_ln_f 6.11 PE(O-38:5)>PE(O-16:1/22:4)_feature5 C43 H78 N O7 P 750.5458734 751.5532 PE(O-16:1/22:4)_ln_e 5.81 PE(O-36:5)>PE(O-16:1/20:4)_feature3 C41 H74 N O7 P 722.5136234 723.5209 PE(O-16:1/20:4)_ln_c 5.17 PE(O-36:4)>PE(O-18:3/18:1)_feature6 C41 H80 N O7 P 728.5608634 729.5681 PE(O-18:3/18:1)_ln_f 6.8 PE(O-36:3)>PE(O-18:1/18:2)_feature6 C41 H78 N O7 P 726.5449834 727.5523 PE(O-18:1/18:2)_ln_f 6.28 PE(O-34:2)>PE(O-16:2/18:0)_and_PE(O-18:2/16:0)_feature1 C39 H76 N O7 P 700.5293234 701.5366 PE(O-34:2)_ln_a 6.05 PE(40:8)>PE(18:2_22:6)_feature1 C45 H74 N O8 P 786.5084534 787.5157 PE(18:2_22:6) 4.06 PE(40:7)>PE(18:1_22:6)_and_PE(18:0_22:7)_feature3 C45 H76 N O8 P 788.5240334 789.5313 PE(40:7)_ln_c 4.6 PE(40:6)>PE(18:0_22:6)_feature2 C45 H78 N O8 P 790.5404234 791.5477 PE(18:0_22:6)_ln_b 5.43 PE(40:5)>PE(18:0_22:5)_feature3 C45 H80 N O8 P 792.5552234 793.5625 PE(18:0_22:5)_ln_c 5.71 PE(40:5)>PE(18:0_22:5)_feature4 C45 H80 N O8 P 792.5552234 793.5625 PE(18:0_22:5)_ln_d 6.01 PE(40:4)>PE(20:0_20:4)_feature3 C45 H82 N O8 P 794.5702834 795.5776 PE(20:0_20:4)_ln_c 5.4 PE(40:4)>PE(18:0_22:4)_feature2 C45 H82 N O8 P 794.5718934 795.5792 PE(18:0_22:4)_ln_b 6.28 PE(39:6)>PE(17:0_22:6)_feature2 C44 H76 N O8 P 776.5238434 777.5311 PE(17:0_22:6)_ln_b 4.97 PE(39:4)>PE(19:0_20:4)_feature3 C44 H80 N O8 P 780.5558234 781.5631 PE(19:0_20:4)_ln_c 6.14 PE(39:4)>PE(19:0_20:4)_feature2 C44 H80 N O8 P 780.5558634 781.5631 PE(19:0_20:4)_ln_b 5.93 PE(38:7)>PE(16:1_22:6)_feature1 C43 H72 N O8 P 760.4927834 761.5001 PE(16:1_22:6) 3.93 PE(38:6)>PE(18:2_20:4)_feature2 C43 H74 N O8 P 762.5090634 763.5163 PE(18:2_20:4)_ln_b 4.23 PE(38:6)>PE(16:0_22:6)_feature3 C43 H74 N O8 P 762.5090534 763.5163 PE(16:0_22:6)_ln_c 4.56 PE(38:5)>PE(18:0_20:5)_feature6 C43 H76 N O8 P 764.5244334 765.5317 PE(38:5)_ln_f 5.08 PE(38:5)>PE(16:0_22:5)_and_PE(18:1_20:4)_feature3 C43 H76 N O8 P 764.5244634 765.5317 PE(38:5)_ln_c 4.8 PE(38:4)>PE(18:0_20:4)_feature5 C43 H78 N O8 P 766.5408534 767.5481 PE(18:0_20:4)_ln_e 5.68 PE(38:3)>PE(18:0_20:3)_feature3 C43 H80 N O8 P 768.5562734 769.5636 PE(18:0_20:3)_ln_c 6.03 PE(38:3)>PE(18:0_20:3)_feature4 C43 H80 N O8 P 768.5562834 769.5636 PE(18:0_20:3)_ln_d 6.32 PE(37:4)>PE(17:0_20:4)_feature2 C42 H76 N O8 P 752.5241234 753.5314 PE(17:0_20:4)_ln_b 5.19 PE(36:5)>PE(16:1_20:4)_feature2 C41 H72 N O8 P 736.4930534 737.5003 PE(16:1_20:4)_ln_b 4.09 PE(36:5)>PE(16:0_20:5)_M+H2CO2_feature3 C41 H72 N O8 P 736.4930634 737.5003 PE(16:0_20:5)_ln_c 4.27 PE(36:4)>PE(18:2/18:2)_feature1 C41 H74 N O8 P 738.5093934 739.5167 PE(18:2/18:2)_ln_a 4.34 PE(36:4)>(16:0_20:4)_feature3 C41 H74 N O8 P 738.5093734 739.5167 PE(16:0_20:4)_ln_c 4.76 PE(36:3)>PE(18:1_18:2)_feature1 C41 H76 N O8 P 740.5241734 741.5315 PE(18:1_18:2)_ln_a 4.95 PE(36:3)>PE(16:0_20:3)_and_PE(36:3)>PE(18:1_18:2)_feature2 C41 H76 N O8 P 740.5240534 741.5313 PE(36:3)_ln_b 5.1 PE(36:2)>PE(18:0_18:2)_feature2 C41 H78 N O8 P 742.5410834 743.5484 PE(18:0_18:2)_ln_b 5.81 PE(36:1)>PE(18:0_18:1)_feature3 C41 H80 N O8 P 744.5564134 745.5637 PE(18:0_18:1)_ln_c 6.49 PE(35:2)>PE(17:0_18:2)_feature1 C40 H76 N O8 P 728.5237534 729.531 PE(17:0_18:2) 5.33 PE(34:3)>PE(16:1_18:2)_feature1 C39 H72 N O8 P 712.4925734 713.4999 PE(34:3)_ln_a 4.2 PE(34:3)>PE(16:0_18:3)_feature2 C39 H72 N O8 P 712.4926234 713.4999 PE(16:0_18:3)_ln_b 4.48 PE(34:2)>PE(16:0_18:2)_feature2 C39 H74 N O8 P 714.5090534 715.5163 PE(16:0_18:2)_ln_b 4.9 PE(34:1)>PE(16:0_18:1)_feature1 C39 H76 N O8 P 716.5242434 717.5315 PE(16:0_18:1)_ln_a 5.57 PE(32:1)>PE(16:0_16:1)_feature1 C37 H72 N O8 P 688.4920434 689.4993 PE(16:0_16:1) 4.73 PC(O-40:9)>PC(O:20:5/20:4)_M+H2CO2_feature1 C49 H82 N O9 P 844.5634334 845.5707 PC(O:20:5/20:4) 5.39 PC(O-36:5)>PC(O-16:1/20:4)_M+H2CO2_feature5 C45 H82 N O9 P 810.5651434 811.5724 PC(O-36:5)_ln_e 4.9 PC(O-34:1)>PC(O-18:1/16:0)_M+H2CO2_feature2 C43 H86 N O9 P 790.5973234 791.6046 PC(O-18:1/16:0)_ln_b 5.86 PC(40:7)>PC(18:1_22:6) _M+H2CO2_feature3 C49 H84 N O10 P 876.5766634 877.5839 PC(18:1_22:6)_ln_c 4.39 PC(40:6)>PC(18:0_22:6) _M+H2CO2_feature3 C49 H86 N O10 P 878.5940134 879.6013 PC(18:0_22:6)_ln_c 5.16 PC(40:5)>PC(18:0_22:5)_M+H2CO2_feature4 C49 H88 N O10 P 880.6073134 881.6146 PC(18:0_22:5)_ln_d 5.75 PC(40:4)>PC(20:0_20:4)_M+H2CO2_feature3 C49 H90 N O10 P 882.6243034 883.6316 PC(20:0_20:4)_ln_c 6.35 PC(39:4)>PC(19:0_20:4)_M+H2CO2_feature4 C48 H88 N O10 P 868.6082934 869.6156 PC(19:0_20:4)_ln_d 5.68 PC(39:4)>PC(19:0_20:4)_M+H2CO2_feature5 C48 H88 N O10 P 868.6082734 869.6156 PC(19:0_20:4)_ln_e 5.87 PC(38:6)>PC(18:2_20:4)_M+H2CO2_feature1 C47 H82 N O10 P 850.5624134 851.5697 PC(18:2_20:4)_ln_a 4.04 PC(38:5)>PC(16:0_22:5)_and_PC(18:1_20:4)_M+H2CO2_feature5 C47 H84 N O10 P 852.5765334 853.5838 PC(38:5)_ln_e 4.85 PC(38:5)>PC(16:0_22:5)_and_PC(18:1_20:4)_M+H2CO2_feature3 C47 H84 N O10 P 852.5765534 853.5838 PC(38:5)_ln_c 4.58 PC(38:4)>PC(18:0_20:4)_M+H2CO2_feature4 C47 H86 N O10 P 854.5938034 855.6011 PC(18:0_20:4)_ln_d 5.39 PC(38:3)>PC(18:0_20:3)_M+H2CO2_feature3 C47 H88 N O10 P 856.6085334 857.6158 PC(18:0_20:3)_ln_c 5.77 PC(38:2)>PC(18:0_20:2)_M+H2CO2_feature4 C47 H90 N O10 P 858.6241134 859.6314 PC(18:0_20:2)_ln_d 6.35 PC(37:4)>PC(17:0_20:4)_M+H2CO2_feature3 C46 H84 N O10 P 840.5767234 841.584 PC(17:0_20:4)_ln_c 4.95 PC(37:4)>PC(17:0_20:4)_M+H2CO2_feature2 C46 H84 N O10 P 840.5768834 841.5842 PC(17:0_20:4)_ln_b 4.8 PC(37:2)>PC(18:2_19:0)_M+H2CO2_feature1 C46 H88 N O10 P 844.6082534 845.6155 PC(18:2_19:0)_ln_a 6.02 PC(36:5)>PC(16:1_20:4)_M+H2CO2_feature2 C45 H80 N O10 P 824.5459034 825.5532 PC(16:1_20:4)_ln_b 3.92 PC(36:5)>PC(16:0_20:5)_M+H2CO2_feature3 C45 H80 N O10 P 824.5458734 825.5532 PC(16:0_20:5)_ln_c 4.09 PC(36:4)>PC(18:2/18:2)_M+H2CO2_feature2 C45 H82 N O10 P 826.5620434 827.5693 PC(18:2/18:2)_ln_b 4.15 PC(36:4)>PC(16:0_20:4)_M+H2CO2_feature3 C45 H82 N O10 P 826.5620434 827.5693 PC(16:0_20:4)_ln_c 4.53 PC(36:3)>PC(16:0_20:3)_M+H2CO2_feature3 C45 H84 N O10 P 828.5766334 829.5839 PC(16:0_20:3)_ln_c 4.87 PC(36:2)>PC(18:0_18:2)_M+H2CO2_feature3 C45 H86 N O10 P 830.5939334 831.6012 PC(18:0_18:2)_ln_c 5.54 PC(36:1)>PC(16:0_20:1)_and_PC(18:0_18:1)_M+H2CO2_feature1 C45 H88 N O10 P 832.6096634 833.6169 PC(36:1)_ln_a 6.24 PC(36:0)>PC(18:0/18:0)_M+H2CO2_feature3 C45 H90 N O10 P 834.6240134 835.6313 PC(18:0/18:0)_ln_c 6.84 PC(35:4)>PC(15:0_20:4)_M+H2CO2_feature2 C44 H80 N O10 P 812.5455634 813.5528 PC(15:0_20:4)_ln_b 4.17 PC(35:2)>PC(17:0_18:2)_M+H2CO2_feature2 C44 H84 N O10 P 816.5769434 817.5842 PC(17:0_18:2)_ln_b 5.08 PC(34:4)>PC(14:0_20:4)_M+H2CO2_feature2 C43 H78 N O10 P 798.5301234 799.5374 PC(14:0_20:4)_ln_b 3.85 PC(34:3)>PC(16:1_18:2)_M+H2CO2_feature1 C43 H80 N O10 P 800.5458234 801.5531 PC(16:1_18:2)_ln_a 4.03 PC(34:3)>PC(16:0_18:3)_M+H2CO2_feature3 C43 H80 N O10 P 800.5459434 801.5532 PC(16:0_18:3)_ln_c 4.28 PC(34:2)>PC(16:0_18:2)_M+H2CO2_feature1 C43 H82 N O10 P 802.5621834 803.5695 PC(16:0_18:2)_ln_a 4.66 PC(34:1)>PC(16:0_18:1)_M+H2CO2_feature2 C43 H84 N O10 P 804.5781034 805.5854 PC(16:0_18:1)_ln_b 5.3 PC(32:2)>PC(14:0_18:2) M+ H2CO2_feature3 C41 H78 N O10 P 774.5299034 775.5372 PC(14:0_18:2)_ln_c 3.95 PC(32:1)>PC(14:0_18:1)_and_PC(16:0_16:1) M+ H2CO2_feature2 C41 H80 N O10 P 776.5454034 777.5527 PC(32:1)_ln_b 4.49 PC(32:0)>PC(16:0_16:0)_M+H2CO2_feature2 C41 H82 N O10 P 778.5613634 779.5686 PC(32:0)_ln_b 5.22 PC(30:0)>PC(14:0_16:0)_M+H2CO2_feature1 C39 H78 N O10 P 750.5290434 751.5363 PC(30:0)_ln_a 4.41 LPE(O-15:0)_feature1 C20 H44 N O6 P 424.2849634 425.2922 LPE(O-15:0) 2.33 LPE(20:4)>LPE(20:4/0:0)_and_LPE(0:0/20:4)_feature1and2 C25 H44 N O7 P 500.2780534 501.2853 LPE(20:4)_ln_ab 1.95 LPE(18:0)>LPE(18:0/0:0)_and_LPE(0:0/18:0)_feature1and2 C23 H48 N O7 P 480.3092434 481.3165 LPE(18:0)_ln_ab 2.59 LPE(16:0)>LPE(16:0/0:0)_and_LPE(0:0/16:0)_feature1and2 C21 H44 N O7 P 452.2780434 453.2853 LPE(16:0)_ln_ab 2.27 LPC(20:4)>LPC(20:4/0:0)_and_LPC(0:0/20:4)_M+H2CO2_feature1and2 C29 H52 N O9 P 588.3308134 589.3381 LPC(20:4)_ln_ab 1.9 LPC(18:1)>LPC(18:1/0:0)_and_LPC(0:0/18:1)_M+H2CO2_feature1and2 C27 H54 N O9 P 566.3462434 567.3535 LPC(18:1)_ln_ab 2.28 LPC(18:0)>LPC(18:0/0:0)_and_LPC(0:0/18:0)_M+H2CO2_feature1and2 C27 H56 N O9 P 568.3623734 569.3697 LPC(18:0)_ln_ab 2.55 LPC(16:0)>LPC(16:0/0:0) 2M + H2CO2_feature2 C49 H102 N2 O16 P2 540.3308634 541.3381 LPC(16:0/0:0)_ln_b 2.23 HexCer(d42:1) M+ H2CO2_feature2 C49 H95 N O10 856.6895734 857.6969 HexCer(d42:1)_ln_b 7.24 HexCer(d42:0-OH)_M+H2CO2_feature1 C49 H97 N O11 874.6998334 875.7071 HexCer(d42:0(OH)) 7.11 HexCer(d40:1)_M+H2CO2_feature2 C47 H91 N O10 828.6582934 829.6656 HexCer(d40:1)_ln_b 6.97 CL(74:11)_feature2 C83 H140 O17 P2 1469.947373 1470.9547 CL(74:11) 7.66 CL(74:10)_feature1 C83 H142 O17 P2 1471.963023 1472.9703 CL(74:10) 7.83 CL(72:8)_feature1 C81 H142 O17 P2 1447.966253 1448.9735 CL(72:8) 7.66 CL(72:7)_feature1 C81 H144 O17 P2 1449.981633 1450.9889 CL(72:7) 7.83 CL(72:6)_feature1 C81 H146 O17 P2 1451.987623 1452.9949 CL(72:6) 7.84 Cholesterol sulfate_feature1 C27 H46 O4 S 465.3040134 466.3113 Cholesterol sulfate 2.93 Cer(d44:2)_M+H2CO2_feature2 C45 H87 N O5 720.6518834 721.6592 Cer(d44:2)_ln_b 7.51 Cer(d44:1)_M+H2CO2_feature1 C45 H89 N O5 722.6676334 723.6749 Cer(d44:1) 7.9 Cer(d43:1)_M+H2CO2_feature1 C44 H87 N O5 708.6520334 709.6593 Cer(d43:1)_ln_a 7.73 Cer(d42:2)_M+H2CO2_feature4 C43 H83 N O5 692.6206534 693.6279 Cer(d42:2)_ln_d 7.3 Cer(d42:2)_M+H2CO2_feature3 C43 H83 N O5 692.6207334 693.628 Cer(d42:2)_ln_c 7.2 Cer(d42:1)_M+H2CO2_feature2 C42 H83 N O3 648.6313234 649.6386 Cer(d42:1)_ln_b 7.56 Cer(d42:0)_M+H2CO2_feature1 C43 H87 N O5 696.6518534 697.6591 Cer(d42:0) 7.67 Cer(d41:2)_M+H2CO2_feature1 C42 H81 N O5 678.6044934 679.6118 Cer(d41:2)_ln_a 7.15 Cer(d41:1)_M+H2CO2_feature1 C42 H83 N O5 680.6209234 681.6282 Cer(d41:1) 7.39 Cer(d40:2)_M+H2CO2_feature2 C41 H79 N O5 664.5889234 665.5962 Cer(d40:2)_ln_b 7 Cer(d40:2)_M+H2CO2_feature1 C41 H79 N O5 664.5889734 665.5963 Cer(d40:2)_ln_a 6.91 Cer(d40:1)_M+H2CO2_feature1 C41 H81 N O5 666.6049634 667.6122 Cer(d40:1)_ln_a 7.24 Cer(d38:1)_M+H2CO2_feature1 C39 H77 N O5 638.5731934 639.5805 Cer(d38:1) 6.94 Cer(d34:1)_M+H2CO2_feature1 C35 H69 N O5 582.5099034 583.5172 Cer(d34:1) 5.36 METABOLITES_END #END