#METABOLOMICS WORKBENCH efahy_20230425_000101 DATATRACK_ID:3999 STUDY_ID:ST002684 ANALYSIS_ID:AN004357 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 Brown ST:STUDY_TITLE Adipose Powder - 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_BAT Group:QC-Reference | Timepoint:0 hour | Sex:- raw_file=SED_Reference_BAT.raw SUBJECT_SAMPLE_FACTORS - IPE_Reference_BAT Group:QC-Reference | Timepoint:0 hour | Sex:- raw_file=IPE_Reference_BAT.raw SUBJECT_SAMPLE_FACTORS - QC02 Group:QC-Pooled | Timepoint:0 hour | Sex:- raw_file=QC02.raw SUBJECT_SAMPLE_FACTORS 9F3E1040-D409-421E-B635-2572DC20ED89 90283016907 Group:Training | Timepoint:4 weeks of training | Sex:Male raw_file=90283016907.raw SUBJECT_SAMPLE_FACTORS AEB1611A-F29E-43F8-B9F3-A2BC4F9EB504 90444016907 Group:Training | Timepoint:2 weeks of training | Sex:Male raw_file=90444016907.raw SUBJECT_SAMPLE_FACTORS 6527EC12-E7EB-4F17-BF0A-0AC7CD1819A0 90441016907 Group:Training | Timepoint:2 weeks of training | Sex:Male raw_file=90441016907.raw SUBJECT_SAMPLE_FACTORS 2E37478F-525F-4E5E-A882-EE75FD0CFB29 90406016907 Group:Training | Timepoint:4 weeks of training | Sex:Female raw_file=90406016907.raw SUBJECT_SAMPLE_FACTORS B73AB139-7210-4498-9CCF-E1DBE6EBA71C 90559016907 Group:Training | 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SUBJECT_SAMPLE_FACTORS FDA87A8D-3634-4C42-9A1A-0EA03B58BB01 90449016907 Group:Training | Timepoint:2 weeks of training | Sex:Male raw_file=90449016907.raw SUBJECT_SAMPLE_FACTORS EA5C8932-9325-4DA5-96BB-50CD49CEDD10 90560016907 Group:Training | Timepoint:1 week of training or control time | Sex:Female raw_file=90560016907.raw SUBJECT_SAMPLE_FACTORS 1F9BD644-303F-43E7-94BE-FF6654306F5E 90585016907 Group:Training | Timepoint:2 weeks of training | Sex:Female raw_file=90585016907.raw SUBJECT_SAMPLE_FACTORS 89D6F615-D17C-4EB9-88EB-A602940FF179 90416016907 Group:Training | Timepoint:4 weeks of training | Sex:Female raw_file=90416016907.raw SUBJECT_SAMPLE_FACTORS - QC04 Group:QC-Pooled | Timepoint:0 hour | Sex:- raw_file=QC04.raw SUBJECT_SAMPLE_FACTORS 1CA4210C-3CE6-4A5A-996B-673EBDEB3B81 90281016907 Group:Training | Timepoint:4 weeks of training | Sex:Male raw_file=90281016907.raw SUBJECT_SAMPLE_FACTORS 90CFE5A4-76FE-4458-A2B1-A66F0B60118E 90232016907 Group:Control | Timepoint:8 weeks of training or control time | Sex:Male raw_file=90232016907.raw SUBJECT_SAMPLE_FACTORS 0D5071F5-D166-4CF1-BE8B-EB4DF6E04C0E 90251016907 Group:Training | Timepoint:8 weeks of training or control time | Sex:Female raw_file=90251016907.raw SUBJECT_SAMPLE_FACTORS 0DBFEB04-1B58-43CF-BAFD-9AA9915B67F6 90426016907 Group:Training | Timepoint:1 week of training or control time | Sex:Male raw_file=90426016907.raw SUBJECT_SAMPLE_FACTORS BC49E4EF-E2FE-4269-BAF0-461F768BD95D 90217016907 Group:Control | Timepoint:8 weeks of training or control time | Sex:Male raw_file=90217016907.raw SUBJECT_SAMPLE_FACTORS DC8B35E8-4AA8-4829-8569-F223D069620C 90578016907 Group:Training | Timepoint:2 weeks of training | Sex:Female raw_file=90578016907.raw SUBJECT_SAMPLE_FACTORS 3719CB62-B551-49BE-94A0-E51DFE13D30D 90225016907 Group:Training | Timepoint:8 weeks of training or control time | Sex:Male raw_file=90225016907.raw SUBJECT_SAMPLE_FACTORS F0D83B29-8EFA-4CDE-B1AA-2358AC220ECF 90237016907 Group:Control | 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SUBJECT_SAMPLE_FACTORS FE012DC0-AF32-4C70-A4D4-F042B8BC4EC6 90420016907 Group:Training | Timepoint:4 weeks of training | Sex:Female raw_file=90420016907.raw SUBJECT_SAMPLE_FACTORS 22D700B9-EDD0-4BC8-8155-EB9C39417F81 90280016907 Group:Training | Timepoint:4 weeks of training | Sex:Male raw_file=90280016907.raw SUBJECT_SAMPLE_FACTORS B137E81D-A9DE-4E3A-8E2B-AD6C22920B7E 90576016907 Group:Training | Timepoint:2 weeks of training | Sex:Female raw_file=90576016907.raw SUBJECT_SAMPLE_FACTORS D350D633-8D95-4783-99F2-BB8294D2EC32 90423016907 Group:Training | Timepoint:1 week of training or control time | Sex:Male raw_file=90423016907.raw SUBJECT_SAMPLE_FACTORS 10E282EB-1DBA-406E-BD5D-81027083A01D 90430016907 Group:Training | Timepoint:1 week of training or control time | Sex:Male raw_file=90430016907.raw SUBJECT_SAMPLE_FACTORS FCE9ABE6-B60B-4934-BAE5-56AF8B11ECEC 90239016907 Group:Control | Timepoint:8 weeks of training or control time | Sex:Male raw_file=90239016907.raw SUBJECT_SAMPLE_FACTORS - QC06 Group:QC-Pooled | Timepoint:0 hour | Sex:- raw_file=QC06.raw SUBJECT_SAMPLE_FACTORS - SED_Reference_BAT02 Group:QC-Reference | Timepoint:0 hour | Sex:- raw_file=SED_Reference_BAT02.raw SUBJECT_SAMPLE_FACTORS - IPE_Reference_BAT02 Group:QC-Reference | Timepoint:0 hour | Sex:- raw_file=IPE_Reference_BAT02.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 - QC07 Group:QC-Pooled | Timepoint:0 hour | Sex:- raw_file=QC07.raw #COLLECTION CO:SAMPLE_TYPE Brown adipose #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 ST002684_AN004357_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 90217016907 90225016907 90229016907 90232016907 90237016907 90239016907 90251016907 90252016907 90254016907 90265016907 90266016907 90280016907 90281016907 90283016907 90289016907 90406016907 90410016907 90412016907 90416016907 90420016907 90421016907 90422016907 90423016907 90426016907 90430016907 90439016907 90441016907 90444016907 90449016907 90450016907 90559016907 90560016907 90567016907 90571016907 90576016907 90578016907 90581016907 90585016907 90587016907 IPE_Reference_BAT IPE_Reference_BAT02 SED_Reference_BAT SED_Reference_BAT02 QC01 QC02 QC03 QC04 QC05 QC06 QC07 SampleBlank01 SampleBlank02 SampleBlank03 SampleBlank04 SampleBlank05 SampleBlank06 GTInternalStandard_SM(d36:2(d9))>SM(d18:1/18:1(9z,d9))_[istd]_M+H2CO2 115706.9463 112565.9155 115203.9231 103160.6402 115093.9547 121967.7559 109492.8045 107549.0698 106337.5975 104044.9513 90003.9293 119316.7854 112253.2495 93070.86187 110970.6462 98982.12635 104099.525 88733.59151 104757.3226 108591.6759 94912.71342 97338.1098 110170.2662 115158.9456 112409.1988 105016.7176 95502.44786 92006.11464 101202.0024 109000.0407 86575.90862 102309.4695 106008.8664 111909.9823 109198.4113 101279.0042 104846.1862 110216.4215 88434.79784 92405.28531 102236.7088 90197.56166 102506.1263 92493.92365 91759.64956 98205.78023 99187.05739 108680.2611 114262.5809 111499.3773 168.121334 158.642498 159.5916779 180.4926926 176.9711972 183.2419105 GTInternalStandard_PG(33:1(d7))>PG(15:0/18:1(9z,d7))_[istd] 234735.3757 235172.522 225509.7538 239092.1518 236641.112 253699.9149 242727.2652 245701.3025 219613.4359 243395.1173 196556.9776 247569.7253 237635.7055 210851.7801 233814.6298 225595.5404 234570.6875 207564.6269 247725.8248 238582.1867 233722.3614 216142.6981 250244.5585 229700.8877 264248.641 225509.0327 224435.5118 219214.8002 236976.1549 244868.9314 214120.8222 243412.0284 255980.2931 263613.8664 254209.6051 258606.6775 252772.4313 242086.0336 234117.556 190605.8281 240521.8384 195231.4575 232903.3237 219564.0774 213169.8707 231721.7547 231811.8702 237211.9358 248418.6147 248191.9741 175.5218365 165.6257533 168.1369137 188.4377677 184.6066355 191.3080029 GTInternalStandard_PC(33:1(d7))>PC(15:0/18:1(9z,d7))_[istd]_M+H2CO2 625178.1226 561886.8718 544824.3508 504088.4163 559549.5017 631178.0742 603150.3326 562274.1139 493301.9296 509870.3674 432279.4972 581014.5675 584792.5609 483771.2869 559412.6788 492363.928 553977.1012 449109.2035 515315.0349 517176.8235 473490.8498 532513.3505 568810.1754 620374.9078 631099.2089 511899.3271 471878.5122 521189.9595 503637.7412 568840.8389 430169.0899 521871.3931 540929.4815 576509.2394 557016.3524 502012.4412 504955.0344 515799.6921 413627.192 470384.7793 559162.0174 503196.603 579610.1977 492874.1139 503253.9841 482679.9513 552450.4901 562231.958 552618.2593 538623.4439 206.6597096 191.5313656 191.0591844 212.2378244 215.914217 217.8566024 GTInternalStandard_PC(18:1(d7))>PC(18:1(9z,d7)/0:0)_ and_PC(0:0/18:1(9z,d7))_[istd] M+ H2CO2 117908.2559 111907.5806 114073.6134 118608.9145 113859.643 121058.8267 114078.0705 113127.6456 116493.1203 111063.4765 109846.3501 120909.4865 118930.9681 109977.2499 111725.9706 103472.2889 118296.5346 110350.0319 117591.056 118807.9486 110773.1819 111957.7199 119788.7866 121451.6787 121182.2988 105905.1826 104469.6854 112854.3313 115741.501 119109.2908 105191.8799 119919.0258 115325.08 117143.0472 115754.6379 115743.2943 115941.0062 112340.5669 110340.9755 104294.7996 114910.5742 100496.2525 114083.7225 108313.4252 108249.2733 108549.9595 113567.6722 117329.1815 117840.8178 124004.9594 163.5080623 145.7425828 143.99637 168.483656 162.633783 162.554904 GTInternalStandard_PE(33:1(d7))>PE(15:0/18:1(9z,d7))_[istd] 38888.54047 40127.71758 36976.68985 36754.36302 39032.72871 45152.97193 41886.25514 38512.33873 32643.5956 36521.64477 32096.80051 42631.98259 37400.8083 25009.81895 37236.36324 35324.96762 35967.85805 32308.08066 39648.45667 41866.67644 33304.31305 38900.16331 40867.90601 42757.3335 39605.79923 36019.98472 32618.2314 34781.8622 37399.23272 40672.02 30302.62036 35230.62542 40095.33398 39810.70754 39045.73317 38422.3395 38019.26534 36349.56125 32644.38912 31911.36066 40329.90968 32609.62452 41116.6977 31932.91964 33179.71616 34666.77022 36287.06611 38791.7255 38637.98286 38516.94523 174.720004 176.0959833 171.3500033 248.3013482 210.146157 184.667425 GTInternalStandard_PE(18:1(d7))>PE(18:1(9z,d7)/0:0)_and_PE(0:0/18:1(9z,d7))_[istd] 47759.32497 44579.21617 43501.07283 43202.23307 45144.92594 48118.40437 44574.16842 45667.29915 43314.80033 44247.78599 45994.02697 47042.44294 47520.53407 43698.24772 44512.10084 42531.84019 43057.95679 41712.46257 43803.36929 47249.31512 41820.6213 44681.77304 45140.03667 46817.35145 46103.50789 42178.6064 40263.08482 45073.99089 42997.81614 47091.60449 41868.8058 43074.99553 44900.32446 45081.22707 45322.55082 43676.12341 46305.15789 42731.40447 42524.41124 44177.63834 48730.55591 47590.15746 47526.88666 42992.18093 42443.64637 42849.12527 43185.6346 43392.04034 45566.74548 45193.85114 128.6592357 124.826569 123.3309611 143.2016045 133.5066109 139.2260968 Sulfatide(d42:1-OH)_feature1 15984.07879 20292.37752 24509.80459 22990.10407 14634.95957 12782.70918 18789.47224 17422.82029 16299.16948 9073.115224 7195.313784 15810.3045 20230.35619 12679.06966 12378.0525 14558.3357 14216.57638 37540.21936 17861.31851 12712.92752 22444.62933 13225.87558 23206.84853 12072.38316 23379.81636 18072.155 23068.34153 11005.909 14353.43052 11857.00243 21638.68746 22497.5229 31881.34047 18749.03422 18906.23693 19768.56687 35623.85005 33955.44945 42329.95369 19221.87771 22155.27151 22762.11197 24016.62147 18787.22211 17736.55448 18526.80173 17365.08385 20335.55794 20472.91272 19369.9154 119.4714253 119.0409469 109.292816 120.5857414 123.1031875 127.2401455 SM(d43:1)_M+H2CO2_feature2 36570.77393 48252.60256 27823.41408 61346.44487 49220.86637 64505.99009 35122.55124 51557.32476 41130.04483 17866.2664 26777.97658 44894.77916 62054.074 41849.00467 33382.44388 22256.13425 56643.74105 62022.82634 45524.84017 48938.70705 78936.28988 55108.55768 50827.23904 32287.92273 35869.8875 51137.24609 61237.07251 40440.66874 100524.0873 48038.90629 86727.68733 53655.03981 60352.19068 44073.71058 87170.39364 64951.26927 66560.6239 100656.8859 102576.4228 107319.8998 122143.8695 78800.91079 85682.31061 53952.449 40594.02879 49368.44508 68681.10842 64190.59657 84838.11897 81067.23968 266.028339 251.768177 260.49392 289.1787581 305.8882486 287.7995723 SM(d42:3)_M+H2CO2_feature1 69619.31497 100471.7265 96149.04563 120623.8309 75769.68957 72862.983 84742.4435 87472.10625 91492.29469 57706.47676 316039.709 86290.18519 111051.1113 68236.39948 73723.77879 48592.04967 76149.08587 122584.8822 67922.71205 73834.23084 111398.715 48742.04707 88893.38163 66546.85863 64924.29113 72341.83495 73076.83899 51380.07814 73151.42058 57088.1621 96685.35191 101225.8196 91751.39015 100881.54 99667.66037 97689.43384 111459.6023 119864.7195 144478.9023 98373.45918 122183.2005 93327.96219 116145.0011 80679.8139 84109.3314 87931.41475 92090.06099 97873.89057 102678.1024 105162.4272 253.8451654 250.6290634 260.6613853 266.4996595 282.1178215 288.2432862 SM(d42:2)_M+H2CO2_feature2 629103.3844 683093.116 639364.8921 1032985.082 745710.4501 567162.8653 649308.3588 843500.2489 807923.7276 563305.6277 1417607.567 793432.2042 817199.0944 667298.1158 668702.8777 500441.8774 752797.9573 1076117.208 763909.5779 727851.0738 1001325.936 514916.9476 767770.0943 425456.2801 390173.756 665988.2878 556552.8637 400441.4741 747578.6112 564307.358 990685.2153 980872.6578 771849.0446 846252.1957 1010602.537 888455.9371 1062560.58 1061857.822 1442536.603 670943.3445 1123301.434 678393.1364 760751.8023 759825.2166 612720.4665 710610.0497 816585.2169 867189.5277 883737.702 914976.739 171.3590395 228.0834219 156.7597601 171.5863639 217.7830193 199.2008352 SM(d40:2)_M+H2CO2_feature2 17727.00621 21776.7262 18563.07481 26186.34038 17807.72699 23219.76879 14698.74507 21241.42269 20029.90969 14016.09877 17668.93301 22022.23299 25861.50832 16867.18075 15184.14109 11545.7819 14456.11651 27507.27327 17384.53482 18334.38754 33415.92632 11184.6985 21366.38888 18359.55813 15572.41919 16445.21012 19090.1185 17832.14886 10036.50245 11017.64665 24305.5201 25894.67175 21887.05883 20517.65063 22778.48959 21235.15998 28476.69652 25788.09772 40063.08047 30155.7266 31065.34835 26310.24812 30056.596 18670.85293 17927.75784 18493.58415 19639.42328 22325.75176 23626.01948 21881.24794 214.8590469 245.6729614 232.5810931 221.354282 219.0071128 225.2958023 SM(d40:2)_M+H2CO2_feature1 14709.75881 21657.61597 17487.72502 38119.65111 16880.81533 31675.18048 26303.93211 41761.7492 46057.78617 27369.2313 42169.48532 22741.06014 28625.44776 20366.55175 24615.39046 25579.78839 23478.01042 49772.50071 36655.33788 33157.62468 49898.18708 25640.51548 25951.22159 26667.69948 26952.27079 34560.25545 33849.31913 18304.59582 49392.89091 30028.45392 49270.04307 53437.14955 28234.873 29456.94577 52645.71183 29933.59053 56523.58584 50612.65268 42160.45712 29773.13228 35856.52448 21946.5182 31677.43591 24030.59311 23627.91438 26685.33363 27215.46633 42208.00506 42564.50881 43210.75693 224.0423084 752.5222747 962.138896 248.6985203 256.8943939 249.301614 SM(d40:1)_M+H2CO2_feature2 320903.7882 383531.3226 287116.2753 518097.5276 375517.0991 388579.065 428138.4033 441030.2254 452874.6047 304144.9183 410373.7785 406329.9589 482514.2304 363570.2656 297006.0904 286053.7694 430355.1348 551375.3305 423176.1227 441862.6719 535685.3344 277151.3477 432623.5381 286076.4533 254264.7269 379273.7315 406671.2633 301765.0206 443070.6935 323797.5353 576392.3117 559428.917 426460.345 414261.3844 530878.3845 509360.0946 569170.6741 564797.4406 760909.0323 449444.0283 584244.5509 454236.9596 514260.9776 414331.5081 390905.5312 385993.3124 427715.4238 440922.1091 466445.1955 459446.1165 158.8237029 171.903781 205.8655055 165.8181895 212.9032103 205.1101168 SM(d40:0-OH)_M+H2CO2_feature1 37288.58594 46995.86042 29395.84758 48705.41489 45140.98613 46159.8519 41872.76058 51163.12738 50235.52552 31437.21048 41934.05395 50060.19423 48272.08672 42776.80257 31786.46034 31085.22333 38731.20752 56394.37663 43681.20687 52263.67747 57120.30848 33859.2317 51498.91924 34499.19729 26405.64447 42462.32601 44512.29072 31870.43625 49644.56593 30083.64812 60759.66053 59705.67655 47767.59652 45501.08139 65195.5046 52727.64394 58911.66372 57542.98242 68391.46021 60401.41294 66273.18694 53827.11516 59543.47338 47221.93766 43919.68265 43934.56279 48689.63442 51507.59467 51888.6221 54597.97961 197.6474682 232.9786611 228.5475721 209.0358146 223.6357725 262.7943537 SM(d38:1)_M+H2CO2_feature2 91807.85109 123420.7344 121741.494 140183.4031 107030.0874 112761.1557 130209.6211 120908.285 137164.5362 82520.05001 88918.90796 116863.2345 134130.0505 88841.78352 79474.44725 82241.2739 118989.0633 190318.4004 115456.1962 128162.8615 145201.699 77272.81812 130634.68 81077.07448 83801.21073 109280.5845 115350.875 73058.20199 129486.9005 95970.39449 161645.5444 169615.5703 135184.4156 131201.9373 177296.2861 165646.255 197625.7161 171495.9237 220661.1615 129935.1733 166924.0176 119048.3209 137894.3558 110468.5874 118454.2538 120047.7246 127439.9304 129212.399 136714.7603 146509.5047 201.1681954 207.1495912 198.3593568 217.1756721 229.244691 215.4895882 SM(d36:1)_M+H2CO2_feature1 294648.5819 270152.7094 264798.5732 581315.5591 405306.3574 376435.5147 647713.2757 431280.7813 481453.5992 393399.0248 433925.8338 267030.2244 291579.1632 440336.6006 297851.9446 270885.4468 397427.9413 619667.6585 469621.6627 510275.972 331505.4108 208483.5752 592429.3593 385964.5366 727103.8988 403383.9043 465649.4432 345868.1454 295154.7038 469546.395 563495.4056 583412.8795 607349.1883 593916.4261 332393.8845 658730.7584 687201.1502 576144.1953 495822.1274 528430.5389 621859.5854 463608.404 565224.9905 399741.4614 465188.7043 474084.7016 479805.4072 532984.4001 513930.8654 489194.5658 212.5219685 215.5367856 228.6173795 231.2628691 286.5536589 539.991484 SM(d34:1)_M+H2CO2_feature1 856368.2555 1252331.455 1110792.772 1344860.79 822430.3846 969057.3588 518632.1664 912471.2808 1101149.135 590223.8943 3228473.791 1070766.141 1407130.869 847846.8618 847888.1948 556382.8007 752115.6608 902875.6757 791383.5388 814783.8189 1198845.443 725611.5596 1110463.38 990397.0638 855678.4055 1017368.23 1115143.174 903818.1268 1013287.238 774508.6555 1061025.067 1050041.752 966785.1828 1141607.976 1004996.449 1059976.114 1314753.313 1214457.566 1493200.645 1284129.112 1503110.066 1079757.974 1270865.705 984008.1763 967575.2655 1036294.305 1098762.731 1162170.042 1134458.36 1156553.282 207.2480344 211.2539409 250.6071878 438.9293311 221.4937056 483.2483736 PS(O-42:7)>PS(O-20:3/22:4)_feature1 18107.01101 32078.60329 20325.98988 30745.34664 20426.68128 21725.63216 24267.45821 21696.47952 28700.43965 13788.0273 78607.49731 22711.37287 25881.72503 15819.25653 13917.24655 15408.41024 20752.55167 30755.86915 24636.34817 29693.86334 26766.79272 13663.08033 31055.42839 17573.92174 25718.20472 20588.73789 22985.37052 14648.88985 24442.43406 24469.07202 31949.65947 28679.76766 35785.11829 38437.67096 41209.39046 39208.94357 47954.16368 44939.62985 52053.71075 24826.87343 36711.18335 23524.28033 30579.46849 24878.47098 24187.07111 25267.05554 28225.13575 31264.01941 35339.07858 34644.78906 158.1694871 198.8889757 185.6462168 158.3008767 220.6713484 207.2616599 PS(O-40:7)>PS(O-20:3/20:4)_feature1 93769.04985 128499.4529 101154.3567 138979.6196 91039.73229 100992.0719 97226.19853 112754.5727 120991.7658 67885.91164 189268.283 108973.3073 135479.9622 74347.86222 66431.55736 70739.06877 94143.04134 118892.3517 113167.6094 143767.4391 111338.7864 69336.49311 132315.8801 94466.04309 98196.14967 96530.9761 108367.2755 70972.07718 109210.0906 99969.26783 142269.0596 132982.1303 131583.4438 152429.5186 163978.2813 153545.8498 184831.4268 152309.555 160482.592 121263.6207 171334.6315 99843.95799 147764.8587 98795.99687 98777.10311 106069.9003 119481.5279 136178.4358 141197.0494 135161.4234 200.4373426 190.9915462 195.9619169 221.4665528 224.7596611 216.4964571 PS(40:6)>PS(18:0_22:6)_feature2 82229.45606 74525.46579 68391.81558 156410.8618 109694.2686 100455.4465 236588.8042 64055.82608 161824.8528 149522.0883 158626.9024 108238.1036 148720.5645 137783.296 81372.88523 115096.7978 84062.27972 242222.6951 191596.3082 181988.3297 150738.7601 87894.78561 236470.2579 130319.8041 371657.5089 125951.032 161122.5752 105736.3211 100480.6261 139105.1987 207729.3047 209474.6544 244233.3178 244852.9859 178679.1935 177479.4218 260950.3833 201604.2321 279573.706 129654.517 151776.4983 157010.2518 182380.2229 132587.3803 145251.4319 145061.6029 156440.1977 171192.2359 154747.7909 162202.6549 203.2351225 190.7332313 188.0274156 208.4492623 208.0679314 201.7507611 PS(40:6)>PS(18:0_22:6)_feature1 19312.67057 20394.65314 16386.09701 44794.60525 22047.54532 9281.305282 78196.16879 6971.067408 16627.05434 28937.59374 24051.16155 24414.13131 30626.05576 54284.91546 18019.93239 9180.460716 11246.6047 37510.56969 25002.10207 26785.72626 27069.24749 17157.17156 74845.88572 27555.11312 132803.4407 17663.94531 36302.15062 23489.04284 22781.06771 52212.39507 26156.3592 25884.02085 77427.71953 53772.71956 13676.02255 45933.94457 51923.73964 28269.30345 29731.7779 36256.60715 44218.99552 28713.76712 35313.21042 27679.07955 30571.4458 32120.33816 34204.07983 34387.30354 34839.84322 35229.19505 208.6594017 183.4012256 197.5105696 212.1672261 208.0194681 210.2289136 PS(40:5)>PS(18:0_22:5)_feature2 37842.25134 36871.38132 42164.09166 80368.71743 58608.45826 64638.0869 64036.94886 51381.16349 64909.99712 39030.06538 89139.94732 60184.55546 76901.50394 67018.57333 43346.2724 44732.9264 48507.51968 98666.61654 72382.08467 65704.93717 87460.219 44445.05271 99965.03838 55834.48393 97329.5648 68142.98922 76643.14168 48969.61482 50892.70963 52105.84249 75872.43401 80505.54142 64973.08938 80129.2339 66794.34938 52678.43402 89021.21819 80898.4574 112373.7716 70578.31364 83571.92031 72928.10566 88457.21611 55769.99273 57474.16643 61209.64696 65321.92576 65642.69787 69943.8165 70007.43024 195.0072753 178.0378607 183.5652078 203.3452575 204.5629394 188.2338738 PS(40:4)>PS(18:0_22:4)_feature1 53605.09141 55100.51995 61634.99092 98394.96408 56638.21729 62420.30366 57375.26106 57033.11244 73678.91958 52879.78389 152675.5468 56006.50591 73900.9962 52349.0945 52027.68989 60598.34577 61682.83614 97465.33303 78458.7792 71503.90501 90209.20335 51585.10501 96698.06352 67270.09911 91419.89987 76974.25838 70265.92631 60418.10844 52614.9911 54641.31309 98307.69954 71572.72598 84198.66473 93956.51029 92328.67272 75549.02643 129330.0971 84282.26406 140566.7223 66656.84984 81008.31132 77192.72026 102308.424 67682.47891 67742.5752 64496.87137 73195.63163 83525.15546 79289.13488 82721.45065 244.6918317 240.0952605 250.6309128 269.7253292 252.4534359 256.5480616 PS(38:4)>PS(18:0_20:4)_feature3 244751.0155 261592.0779 153073.2178 296430.7037 325745.8007 367738.1076 281039.7787 348895.5898 275479.0953 249290.9466 114207.093 358505.0388 310872.1421 259411.4799 226678.4822 292791.9531 287035.7832 282720.8158 338361.093 366964.3181 324145.2778 262034.9429 317221.9752 249624.6503 209730.3472 301030.7134 286819.6712 202729.2668 329428.2736 306261.1752 341522.0035 377839.2852 302103.2535 334746.8347 391782.1699 318640.9624 360946.2047 362050.3289 338393.1258 295831.3191 372255.4069 226484.5134 309060.2317 259389.8544 256677.7573 275339.6446 293237.6659 323248.552 346776.8945 329169.5232 251.1922289 257.7355837 262.0566086 277.3391847 297.5493074 274.2057603 PS(38:4)>PS(18:0_20:4)_feature2 145254.0711 158965.3216 179638.0156 308261.8441 144718.094 184645.0695 167119.7646 186192.1327 249747.4958 132426.1993 706984.9456 185376.2686 230184.6097 170506.3112 143464.287 136754.1944 167576.1668 318132.7349 216438.0873 209363.1562 271230.3044 133101.1345 264027.1997 195231.5171 238461.6515 204738.4254 239702.4163 170174.6329 156565.2485 139815.7499 279311.7352 284205.6218 234713.7813 328240.968 281861.4396 213926.4779 394538.7056 351221.1253 471466.6155 239857.6345 306887.4655 255112.6108 308208.4777 195651.6533 193929.7873 223663.4953 230574.3117 238139.145 227920.7933 237841.8787 194.4027583 172.1936573 181.0896604 203.7933174 203.9288002 185.9278574 PS(36:2)>PS(18:0_18:2)_feature4 210329.0286 209607.3349 188979.9373 355165.8929 281824.8204 292379.2212 258513.7559 328977.1424 249291.4493 261623.5857 255912.3903 290900.9312 367008.1434 255086.0193 202917.8027 213476.9947 216155.7332 375596.1214 386302.3221 378921.9571 386318.6121 199679.3541 312901.5145 271941.7839 230708.2267 252464.5306 292911.0361 195824.6476 194480.9109 175500.7019 514817.3787 385227.8882 350334.433 340247.1878 337270.9606 212422.6204 332341.6973 497808.6047 482805.5223 340052.1153 411253.5784 339663.7385 404941.9768 245605.422 299655.7367 252643.0938 262210.1271 283628.7362 360677.5736 281542.4364 216.9890666 218.697929 212.8037799 238.6341984 226.9902527 229.3430132 PS(36:1)>PS(18:0_18:1)_feature1 192387.0926 168278.027 234017.0749 367338.7813 199342.8705 223436.4342 198431.5287 194014.3721 196066.9641 134984.3996 1417913.481 214276.8433 251313.2203 180896.938 169115.9417 158844.8075 148779.6878 299831.5517 160400.8512 175883.0635 275459.9232 100814.1114 239475.009 193625.2882 223333.8893 177873.491 225935.0525 154017.5902 126391.3978 120756.6364 246337.9889 274500.0551 223261.4319 264526.045 196017.5504 169175.3225 311799.7281 307220.5389 441332.3261 250429.4072 304769.924 277675.0549 338005.459 214467.121 195483.7165 204384.8 235413.8971 247271.7646 240009.1488 251236.8994 229.0996893 252.1875778 261.9330279 260.4227592 301.1896127 280.040876 PI(38:4)>PI(18:0_20:4)_feature2 898450.653 934550.34 858010.5119 1967063.842 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45985.46119 90739.21338 85480.36239 95448.49878 79941.37644 81365.30762 86910.77699 75665.2642 87750.61593 131525.8259 75539.64909 98017.91107 105334.7586 122886.5237 61315.68212 61890.52275 66562.77259 73653.44178 76777.16101 82455.78938 75902.85492 170.2431546 167.3857655 167.326899 183.1203929 186.8196571 181.1165768 PI(36:4)>PI(16:0_20:4)_feature1 29122.11273 35275.63545 28346.09054 56918.08416 38053.98082 32308.02031 44362.21581 46965.40323 48730.99937 43054.13399 67227.63521 32677.45052 38769.87636 27206.46132 30085.91326 26542.73336 50824.93204 55462.46577 45798.60549 46115.42105 45027.51145 19225.64509 39356.58797 37552.37982 40313.9929 31026.72069 32513.28925 28971.00056 32033.08678 30003.76196 57305.34893 58221.08975 43803.47476 45490.64022 60207.10637 67115.19441 63067.56311 54055.32602 97186.20132 48051.936 56799.09414 65995.5056 83056.8517 37712.88267 40433.55708 40383.52665 45301.90529 47086.6445 45759.83289 45316.24725 153.6928749 142.9069762 148.7738504 165.0141417 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226681.1574 169201.8159 135846.1441 105375.441 117881.315 135349.2874 81810.76151 154047.4058 194442.7834 192164.1198 158216.7111 131677.4425 78187.31334 98890.00761 156716.4724 112816.9447 114093.73 259477.7065 155947.781 192113.0148 118537.0947 118754.8532 159154.6263 190254.9847 120855.3508 185718.1609 127545.5404 157336.5941 172963.0023 168130.0523 152756.0646 154680.1154 156231.6193 181486.2187 175032.1597 235891.0185 188271.535 240645.883 124360.0129 154524.663 139575.439 141917.8032 148705.2511 155956.2918 170323.2188 176089.7158 171906.9257 230.2324582 209.7313314 214.4656692 241.3537587 241.5142119 238.7112338 PC(O-34:1)>PC(O-18:1/16:0)_M+H2CO2_feature2 15451.22168 69307.60419 36473.22818 32247.81788 16133.42319 19143.50968 33847.05899 30302.93634 60264.98691 17714.27698 589752.9114 28304.11905 48804.45407 17771.49482 26617.49801 17684.28454 23015.12325 65545.91733 27748.39131 25884.27517 42200.213 14366.39554 35991.98729 17772.5586 34714.80702 20964.44591 26494.42258 16181.77568 23358.40955 18703.0926 34731.68824 35148.61096 50181.36091 85917.04338 48690.05848 37099.75387 60878.12827 92665.62674 122627.5275 21907.52978 27082.69405 18752.24431 24496.88284 42559.43667 43932.21075 47237.04717 48762.85898 54330.85317 55448.93475 58586.25383 290.1378051 289.9197441 288.5962309 307.5383509 305.2299944 306.1374257 PC(40:8)>PC(20:4_20:4) _M+H2CO2_feature1 75248.5242 47177.95507 42065.47362 125035.189 115522.9375 86488.34176 112859.7221 116497.3216 131777.8796 74662.21715 66078.86609 105076.0896 75910.62886 99787.15102 64408.16252 92781.17794 140436.2208 172433.7699 151732.1691 146838.8691 152761.0932 87310.5803 157325.7307 59527.27909 119475.791 128696.4157 97543.88828 67185.68537 168750.6678 105445.6316 210464.7243 178769.8316 157778.1718 129305.0277 157564.7245 176337.9058 264111.6463 141211.7736 250049.0326 135848.2385 147304.1294 92440.85974 123135.7076 115898.0656 112716.0583 114605.3105 119548.6502 126270.1995 130908.2624 134237.047 188.0089029 170.7736064 174.5948008 202.9189189 198.3413804 194.896409 PC(40:6)>PC(18:0_22:6) _M+H2CO2_feature3 151627.0156 167144.7686 118002.1958 290392.5159 308278.1369 229883.2992 281588.8506 225635.7802 372353.3759 181827.7348 145111.6365 258365.4788 271918.86 281084.5158 189714.5327 212134.0054 312519.3393 395838.2588 329826.3486 295446.5299 376833.7693 248364.1392 460425.5557 203488.562 330663.7465 340383.5717 285980.5113 210975.3189 414125.332 308635.8894 334799.7793 330952.8088 388713.0319 312922.6987 318000.0609 389801.1745 423614.3001 349814.3258 444760.9501 280482.2326 335266.8144 199279.607 242356.6647 252665.3313 264194.5865 279130.2811 292009.6901 301173.7828 309262.0693 318938.6598 201.9045221 246.9507687 195.6020008 217.1766349 221.5638783 220.3489186 PC(40:5)>PC(18:0_22:5)_M+H2CO2_feature3 70219.2465 72554.67673 65518.42729 132743.9175 138568.4123 142097.1857 111943.271 122634.8292 147491.601 88816.44402 148800.2345 107776.4522 107400.9155 131922.3722 104858.5389 97170.14854 121804.8265 143903.123 139441.4963 122174.86 180073.8278 107116.2704 187598.1085 98365.42413 147373.6425 168738.4468 144562.6673 111120.8311 186102.4354 146312.6551 135877.4797 147090.9442 131382.2359 114061.7866 121946.8611 142795.3642 137390.3774 133034.8558 151387.9154 132326.1786 144884.4404 123756.1261 147496.8534 109860.4832 126628.2494 124529.1801 134522.0707 137173.6283 134073.954 130986.3794 231.6260524 235.9385261 237.8327427 253.2766496 277.9748573 262.3691262 PC(40:4)>PC(18:0_22:4)_M+H2CO2_feature2 40010.17322 49578.41296 42015.90368 69929.47915 67066.55616 65240.80883 57957.59886 89930.15531 101880.7783 58072.38431 157909.411 44055.84909 44322.33891 35185.13263 33237.34893 61435.46733 99459.84636 85920.36311 89520.21442 81016.68796 94776.23391 44167.33786 88800.27406 43086.28573 55529.03603 86440.69672 73100.07869 61200.83421 105166.9258 75689.80591 130632.134 91709.55943 91273.90306 96200.03034 139781.4948 143220.8959 159038.9511 147773.6264 164683.1398 61973.58653 74307.58215 77434.50511 100728.7587 76986.33051 76749.52922 77118.43554 82662.42739 89130.95292 90167.30873 90164.66477 228.1350981 221.8800652 221.1279355 248.3104064 244.2840706 242.7378878 PC(38:6)>PC(18:2_20:4)_M+H2CO2_feature1 301555.172 167246.6225 180451.8441 476075.892 377922.0855 356932.921 403409.4778 545443.3798 565759.9659 334839.846 405971.6495 289392.6419 222474.6836 312928.2411 201980.1982 300665.9833 521454.7092 520286.0968 519396.6156 502964.1047 452270.9519 266335.8048 476539.1304 217716.9154 358345.3351 410421.8236 372389.5545 259365.9675 497398.2284 341727.9921 742127.3204 631881.2255 490479.8819 455479.3677 679131.575 628375.6931 776928.2344 550536.2909 858732.0472 444327.1897 491762.7106 379357.55 471307.2194 402082.8868 395723.8216 442953.319 459786.4824 450094.7529 477478.4872 481666.8524 187.3361595 179.8943053 181.3403633 208.2856176 198.7374198 198.5880908 PC(38:6)>PC(16:0_22:6)_and_PC(38:6)>PC(18:0_20:6)_M+H2CO2_feature2 246467.0399 271729.0679 208339.027 754467.1035 494258.1413 270936.9654 1084811.85 244674.525 421374.7648 509498.8935 369106.341 446922.7759 432954.0477 787936.9004 349598.3896 259749.7756 395822.9552 827725.4896 562909.9808 571949.3452 617819.9048 312924.0022 1281485.5 466530.453 1812685.195 403709.8355 627557.3124 456091.9302 591254.6232 876944.3066 602296.2121 596079.6679 1184629.046 909255.3516 447658.9029 903288.3109 962417.6558 587318.6295 698195.6626 521588.5923 622102.7833 394251.4289 454125.2171 556937.1285 576985.1039 615488.5548 629481.0176 663093.0653 657578.2997 694892.293 189.760617 180.4704207 192.977813 210.2429334 213.613645 205.8247086 PC(38:4)>PC(18:0_20:4)_M+H2CO2_feature4 1576907.55 1557170.834 1522093.326 2766283.544 2333176.4 3711784.774 2412836.747 3290981.868 4806621.869 2741536.377 3763487.293 2120252.091 2063808.831 2376475.356 1647978.414 2706940.37 3868995.865 3616234.063 4092066.995 3714999.913 3349258.615 2496642.739 3574609.516 2219477.863 2535729.916 3670773.59 3789414.528 2954288.4 3880562.371 3165459.732 4669953.23 5012067.893 3306109.301 3806933.452 5381480.398 4856289.232 5915612.101 4480792.484 5506860.794 2658398.109 3032754.763 2330893.672 2608957.426 2876882.346 3208396.604 3345615.697 3454923.966 3530302.293 3388748.496 3489791.255 244.8710958 262.1205048 264.7815205 259.1273447 418.3206712 323.6513382 PC(38:3)>PC(18:0_20:3)_M+H2CO2_feature3 215305.0477 199375.5205 111380.5231 296990.2967 359696.0914 345841.7423 412752.2785 575385.4422 521605.9997 385687.8027 305016.6527 246458.3003 202648.4774 204692.5694 194540.1107 259206.9678 496954.0503 485197.5671 491698.6283 537956.5234 346486.5277 184577.9342 312468.1264 189830.6231 170403.67 276233.3463 242585.5038 224747.0139 388120.4624 222750.5731 553914.3621 475828.9853 359478.1888 337116.7248 563923.8877 497866.5449 445358.4186 448647.7081 663606.0654 300682.7024 365899.2163 298370.8228 394025.3829 296845.45 310175.616 333859.7075 350535.8053 354366.4108 367969.6948 402546.4114 258.4835088 265.6559564 269.6632455 285.3894243 306.18618 282.165047 PC(38:2)>PC(18:0_20:2)_M+H2CO2_feature4 115327.3097 80047.98362 60027.53448 162755.795 133103.02 83110.2295 94200.50572 142989.55 143233.1287 82186.03664 86117.52905 88128.94437 83013.33024 65509.85544 71317.74475 67924.85711 138025.6208 126156.9406 114395.7112 120447.3234 129308.7724 58540.5542 86345.06205 57422.61273 42980.31942 85098.76662 66388.21324 48384.32804 107613.972 59827.43988 161966.9362 118409.1594 96901.64124 86431.67526 146258.757 125177.4061 98841.12912 124376.7811 206816.4262 161985.8362 235731.7841 177812.6581 205565.6396 93194.17775 94172.86385 93532.31287 102803.4265 106723.1734 114350.0936 113554.9534 240.4115853 242.4053585 246.8670883 255.6131648 280.2723402 266.9462227 PC(37:4)>PC(17:0_20:4)_M+H2CO2_feature3 18241.91844 19794.73394 17635.71198 42941.29955 22646.2106 34618.02762 36062.52533 21091.4303 38891.18139 22911.78177 49168.18486 28676.47511 26520.7805 36349.51016 16174.31243 20885.16784 28982.15253 47325.26462 35537.7195 33027.94588 39873.17194 27620.33483 54905.70423 24725.87875 57998.64929 36580.00689 51882.4037 29725.90981 45017.22609 42601.77679 41858.75629 47507.60621 58075.89281 53192.95826 41628.48168 58130.60978 74258.34389 49993.53259 54353.31292 36862.85507 45215.81813 25018.52519 29065.67131 34786.4553 33572.70998 35919.34362 39573.88041 42285.52872 41577.75687 42756.96538 215.6953442 196.9256664 203.0394026 226.1144344 226.2647564 208.2033613 PC(36:5)>PC(16:1_20:4)_M+H2CO2_feature2 17471.51535 14779.64646 13135.86237 39084.60319 23912.58738 19751.90474 22539.1388 41393.9052 28524.6326 30299.47895 49267.90938 17810.47092 16512.47031 15248.43798 14844.21347 13259.76511 29912.72593 33302.91021 24929.32433 26975.21134 19908.37727 14475.49462 23546.71649 13046.33427 23226.30245 20285.52905 14105.76584 14355.66313 22659.26408 14564.90915 35934.71817 30003.20522 34292.77048 31604.01133 40712.50008 36383.24389 36735.63633 32904.87153 57052.85101 31012.51041 37154.26933 55303.03222 67622.95925 22766.54342 25480.81577 25646.70731 29604.11333 28522.24548 32517.96378 32320.16723 195.3709315 177.0108944 180.7494208 212.6384546 206.1080069 196.6224787 PC(36:4)>PC(18:2/18:2)_M+H2CO2_feature2 627968.9455 479091.929 366525.2704 950421.4069 751788.0012 568601.9906 838481.9751 941576.5299 831741.4835 615403.0477 482737.2083 752377.6925 681119.5215 670952.3319 501480.7971 545084.5212 712768.5327 888777.8735 819819.4434 943120.2204 934996.1799 541175.1854 655921.5051 377887.0071 453371.151 687408.6595 641885.6332 362786.3417 912633.4306 559655.3677 1133049.244 1121345.12 805959.8194 727376.6923 1008245.928 907748.2848 876051.5591 889622.8157 1396864.719 916068.3934 1025450.623 606369.7154 696355.3673 664605.4194 650038.1354 708073.4622 762979.1688 846360.1563 836673.0757 858702.0022 194.8869576 191.382465 185.3298173 213.1749264 217.1544362 204.8150578 PC(36:4)>PC(16:0_20:4)_M+H2CO2_feature3 1674384.233 1655565.287 1549909.457 3373670.666 2580448.936 2882505.823 3535945.79 2865400.493 3725930.81 2769940.193 3238701.598 2177071.446 2112994.805 2583934.869 1796699.136 2094656.398 3289036.266 3798960.136 3296323.787 3199683.803 3291410.437 2150800.765 4177269.447 2220430.083 4441537.656 2841836.788 3138093.606 2514407.215 3456618.131 3314458.279 3954013.083 4001340.203 4237805.317 3995455.164 4055434.611 4374286.192 4889508.319 3970888.94 4572491.783 2901440.702 3331725.059 2507923.244 3016206.032 3010536.965 3124969.496 3114094.898 3391400.817 3506427.488 3362667.853 3461212.973 196.982422 207.9236285 189.744181 215.1830344 208.3304261 211.0109471 PC(36:3)>PC(18:1_18:2)_M+H2CO2_feature2 1097653.522 1057194.944 680773.5473 1401939.649 1663755.769 1028205.921 1258915.882 1567536.497 1321224.302 1175512.553 1088311.402 1029501.119 1059735.295 928848.8012 787375.577 1064255.366 1680315.826 1459323.97 1545299.522 1405775.898 1456997.925 962775.4239 1034319.183 851904.3169 803087.925 1132536.089 1194418.69 656994.4952 1502785.24 964903.4294 2002842.641 2040010.487 1238447.82 1309827.121 2065149.297 1357922.741 1409084.193 1430030.994 2242297.045 1362234.925 1945926.56 1743923.013 1773435.046 1006980.223 1393953.165 1412567.776 1347847.537 1395374.671 1308107.402 1372634.22 237.864521 223.2324223 217.1344832 241.8633198 243.5207962 239.6537104 PC(36:2)>PC(18:0_18:2)_M+H2CO2_feature3 3291142.439 3755377.242 2541476.346 5074895.429 4658701.306 5464848.84 4767196.831 6148654.502 6064845.406 4584046.175 4272181.828 4835434.423 5462361.231 4813986.974 3429187.995 4487167.966 5603317.852 6669458.278 6900669.323 6513706.206 6165858.734 4103552.73 5353912.421 3916102.249 3385425.422 5184793.659 5352931.421 3666847.075 7072342.423 5053118.289 7459996.628 8357827.877 5632268.069 5847219.042 7789763.396 6396017.11 7066784.144 6894271.604 8477884.915 5271891.009 5939095.642 3940102.581 4805286.085 4734139.913 4931367.556 5338140.691 4694055.092 5745873.119 5697741.89 6326206.724 245.9879136 246.4338916 233.8288272 481.9883246 476.0115536 916.4551252 PC(36:1)>PC(16:0_20:1)_and_PC(18:0_18:1)_M+H2CO2_feature1 1376326.636 1336120.673 1040577.099 2185012.736 2124180.248 1839937.931 1895239.218 2587355.65 2372393.74 1947978.465 1837123.233 1545648.833 1405391.498 1293454.227 1262690.077 1552179.712 2692826.891 2608801.403 2504367.402 2601121.998 2112195.977 1179711.44 1660000.023 1194305.211 991235.2019 1528377.274 1590651.736 1121944.486 1882640.924 1291212.323 3145056.574 2899292.864 1875473.767 1975603.172 3287485.108 2563108.117 2515619.52 2534099.061 3793664.839 2076987.804 2480231.202 2412356.156 2897611.535 1742849.306 1877575.551 1884077.29 1937778.96 2047416.333 2135435.45 2199192.211 261.5946873 278.8598214 267.9653621 746.4235428 577.9141528 285.5653888 PC(36:0)>PC(18:0/18:0)_M+H2CO2_feature3 40400.73635 45326.66778 30229.21805 61702.06697 42501.71545 35359.38046 37228.94449 50143.18459 60824.14661 30019.87558 51987.03446 43455.93944 50446.26172 40342.67628 29200.92929 26549.80252 48426.64006 57734.40238 45477.28431 45056.51115 63186.51643 33825.27061 45105.92455 31993.77402 26782.16456 45778.48122 44937.75393 34016.84041 53185.96145 34436.37182 63621.37858 50890.06437 51445.27103 45813.80755 57155.84809 54464.43123 68300.6067 65636.88297 85482.73763 56597.88638 71611.12796 48460.0921 60917.30577 47064.61599 42925.26256 42586.27651 48776.84911 47895.67574 51700.98232 53677.64279 156.6744518 162.6705043 180.390712 166.5978798 211.4514723 177.8464881 PC(35:4)>PC(15:0_20:4)_M+H2CO2_feature2 4939.987246 7122.352103 4218.967017 13640.61016 8415.952178 7678.492995 11007.62043 4906.068511 9455.79053 5777.50267 11852.90216 9714.287129 10258.62847 10538.52074 5177.25912 5039.45339 6368.275452 10547.84318 8934.49132 7546.126832 13502.81749 7374.551921 16678.9273 8402.27649 18790.62005 9195.048729 12611.62982 6915.878626 13552.36626 11779.95307 8822.600354 10944.66924 16540.42485 13839.37963 9389.51837 13280.67746 15559.87195 10878.63268 13213.03133 11926.98885 13639.53334 7613.51771 8612.649891 9291.632101 8956.374571 9687.042463 9899.190816 9922.749461 10945.27886 11844.72585 181.2700918 178.0104602 176.1146056 194.4500708 207.5614373 218.7713992 PC(35:2)>PC(17:0_18:2)_M+H2CO2_feature2 49656.62506 68455.73857 33289.53672 101446.9932 73842.20093 64297.35421 94057.71907 56556.67719 70914.11344 50703.24672 50493.65256 95095.28526 97490.67489 84824.38224 50548.65681 52424.40917 57326.12415 106589.9144 82638.97405 77415.55905 106660.0455 70361.12341 95127.53482 56552.13243 72927.84764 79465.10693 99311.09296 48132.00587 112585.5293 78486.56314 89165.53567 111542.5983 102127.0385 95769.59822 88234.85803 99333.1259 95008.07131 95015.97319 118486.8532 100623.2666 119295.4129 56939.02691 71323.14976 70125.92258 65502.98695 77568.00226 80620.99409 84328.83835 88791.24283 90468.49222 218.0725758 222.3402707 215.6981184 243.4655285 235.3350321 225.2905007 PC(34:3)>PC(16:1_18:2)_M+H2CO2_feature1 72480.18461 89511.33923 41717.46767 124383.7712 88030.00281 36377.60885 105452.2714 128241.5686 77279.0776 81768.98668 108455.2658 91434.14663 86008.01917 70897.47866 64352.10072 45012.86201 90081.53469 120269.3954 85156.75024 86847.95701 61801.97148 50264.14839 81021.30644 41457.55818 55561.83459 54057.95162 55617.55024 34931.24384 86101.4671 53468.72199 70951.47805 105941.289 85905.57806 78698.45366 121917.8532 74206.41853 77784.66034 79701.26304 150285.6768 106138.6612 125108.8481 156248.6556 241002.8074 75833.31917 50171.47307 77202.68337 64939.53911 59527.96314 86924.22802 60794.68257 219.965626 211.2275792 212.9255059 244.5639773 233.3527124 233.1773739 PC(34:2)>PC(16:0_18:2)_M+H2CO2_feature1 4168786.295 5063074.313 3106127.383 6270768.031 5605219.227 4652442.266 6647820.012 5287874.621 5788382.904 5218517.431 4269085.414 5756526.597 5869647.901 5066437.171 4342377.103 4111683.043 4978983.296 6702702.512 5524519.224 6095585.507 6665670.456 4479173.157 5853523.25 4256895.807 5424373.588 5104021.372 5180870.297 3538308.117 6535319.133 5065443.676 7018224.647 7084843.638 6375165.095 6330480.92 6744343.896 6315449.034 6572897.597 6630577.676 8318244.979 5596753.436 6954382.132 4372344.32 5394150.312 4804491.663 5440514.471 5586062.173 5775085.314 5935725.545 5838446.068 5971639.909 525.2497125 403.9389757 215.814997 809.9741538 790.2375813 876.2650479 PC(34:1)>PC(16:0_18:1)_M+H2CO2_feature2 2840004.044 2821449.447 2151380.531 4317418.617 3929485.102 2736058.385 3640897.281 4378585.126 3839352.148 3312497.222 3673117.989 2843007.74 2940843.949 2437469.956 2571367.099 2492621.575 3782552.247 4410095.909 3718073.296 3870774.119 3932399.617 2202796.103 3229536.056 2131675.69 2760622.072 2648182.472 2565196.568 2036217.354 3151816.845 2439323.286 4684410.069 4448669.959 3797611.702 3719156.634 5052317.748 4254251.54 3889092.637 4500600.766 6481838.676 3782907.114 4231672.53 4420799.667 4748277.036 3054940.466 3427328.258 3195234.942 3551073.159 3606020.538 3604414.117 3631444.118 238.5298098 299.2762414 295.6955137 467.706777 387.5371978 327.3310382 PC(34:0)>PC(16:0_18:0)_M+H2CO2_feature3 241131.2533 255801.9838 204813.8676 344080.8745 204069.7319 159825.5702 184430.6087 207648.9998 270440.7592 126823.9758 666794.9336 211488.611 256383.5298 171116.039 157290.0454 135683.5386 186119.386 246829.1152 190869.8274 211815.8046 278601.8763 149283.9076 222161.1869 148444.9048 157561.3688 201416.7384 193104.2196 139439.9993 221188.5167 165996.6659 257733.027 247050.3159 243284.1332 227974.0509 254903.1143 258114.7968 297574.7069 297083.2197 350658.0463 277172.6944 338582.445 227418.7133 256228.7497 203021.8424 212467.2135 207651.4464 229042.5118 245759.3338 276054.7865 267244.9612 222.3282031 219.5858262 228.3231502 240.0194366 253.3579431 238.6950092 PC(32:2)>PC(14:0_18:2) M+ H2CO2_feature3 46234.3777 60955.49212 22786.39522 86349.62491 55105.44477 23563.17437 46341.24842 40956.06617 36878.42569 30292.82394 45390.8273 53718.17574 74337.68279 34567.54798 38507.27658 27132.33295 37941.71281 67226.49965 43439.34632 45442.06601 70823.73567 26072.57393 45729.90636 22570.21638 25732.14476 31578.22506 30080.86937 15413.43206 51846.92183 30322.01397 38067.50497 55689.40342 46575.90721 31562.39739 58371.41023 32737.95252 42423.94753 54595.09915 75846.13872 77302.83911 88058.38378 58215.12562 52142.95372 41781.821 41969.29555 44047.45422 44568.31262 46372.25299 47978.13461 50808.91992 194.0636186 168.3337341 173.8530372 202.214814 194.7434267 196.0259413 PC(32:1)>PC(14:0_18:1)_and_PC(16:0_16:1) M+ H2CO2_feature2 158066.0294 151719.8498 111411.8605 293125.1812 183360.9421 89854.73965 237171.6294 260513.4072 145250.4614 193071.4247 347793.5287 124192.6788 131838.8475 86321.52893 135156.9451 80362.54219 193668.5227 208976.602 149111.996 172968.2324 158602.2486 55330.46559 139052.4812 85350.01471 138424.5147 77025.28893 74502.92507 65265.26463 96971.43061 50262.1165 200992.8109 165336.4149 163131.3168 176544.2189 248064.7176 150279.8483 147880.96 179238.0198 305064.3973 187085.3663 203212.4309 390846.6776 467388.4607 154600.082 151081.7855 163034.6987 170342.1855 184842.5313 185511.0694 187309.2822 187.4980329 176.9267207 179.6092224 201.2952432 197.2027054 204.3613201 PC(32:0)>PC(16:0_16:0)_M+H2CO2_feature2 970926.4518 1090983.46 885430.3191 1225377.22 867289.9413 760869.4163 841554.3329 970738.1434 1126429.17 688445.0105 2309849.552 929934.2087 1097591.398 706997.131 721357.4443 618924.9549 853335.4301 1100847.228 851250.1889 884543.5066 1184598.737 730602.6592 1003317.467 675538.3584 786716.8211 880614.2556 826139.2488 675474.3918 933110.5553 731070.7059 1050612.602 981374.5681 966851.1909 1046411.048 1087789.757 1095064.091 1200085.046 1245440.785 1545566.748 969725.6689 1147534.179 896700.326 1018831.985 831248.9403 973198.4284 985368.521 996292.3566 1042517.326 1090770.512 1026514.974 273.565042 217.2174661 655.7200751 780.0475453 817.9596341 499.0783534 PC(30:0)>PC(14:0_16:0)_M+H2CO2_feature1 63533.35844 74884.98045 43128.11904 101123.3438 64944.57217 29326.39202 59172.34504 60390.08282 63558.06622 40805.48874 182610.3284 49343.13328 64972.6651 31067.18485 50061.16746 28682.42132 48988.77747 63823.514 49546.40647 54655.24018 63604.46567 20524.72282 47631.61817 24109.79648 38432.85287 28550.94384 27253.30067 21116.88746 42469.89892 27026.32843 64260.20266 56558.97431 59253.72499 63029.36688 69251.53628 58685.83637 55516.81315 75168.31581 99556.72005 70533.75731 82038.5617 69440.79032 82326.29135 51687.79723 48764.86396 57209.40081 58486.90579 60781.15489 60724.10899 62214.76957 203.3014477 207.2310704 184.3752054 209.1279843 217.2758411 204.742745 LPE(O-15:0)_feature1 26357.26258 26364.2758 25866.19986 27101.64115 25941.61625 27202.39172 27563.73417 27144.28079 24904.42178 26374.15357 26045.19758 30239.0704 29196.35255 25008.98014 27166.87035 24756.69359 27339.3749 25116.99741 26447.82301 28140.07208 25812.55042 26160.35199 27876.94749 28191.79406 29156.58888 24863.63399 25300.96759 25082.19508 26275.09205 28045.22978 23152.80892 26188.98496 27058.2391 26905.85407 27621.58143 27606.02309 27843.87814 26087.05018 25549.84884 24992.28049 29563.52093 25910.41761 28919.66988 25405.5472 25281.41171 24570.59658 26038.06013 27075.94959 27210.62798 27295.42296 120.6572709 117.7030624 115.9529601 135.0294855 125.8877583 131.280849 LPE(20:4)>LPE(20:4/0:0)_feature2 16335.29391 11160.59084 9634.746538 24681.05758 29446.36716 26029.62125 28615.05546 41779.05174 35000.43797 33388.50634 33573.90538 19981.65731 13557.41688 20828.56751 17712.98611 20822.59849 36450.62362 51285.01131 33220.47241 52952.39384 34339.95336 19760.83959 21278.75449 11188.93924 9017.60442 32223.05569 29865.54905 16535.05443 44017.94242 19580.00536 37250.41971 52358.93329 28564.69201 22319.83244 50716.88143 47325.01453 57577.70472 32856.35224 89294.66614 27159.33813 29992.88591 24394.58195 26091.3143 28239.8467 29740.01351 30885.81789 30853.00757 32291.82429 32903.92305 34396.11863 219.1190403 226.1090609 240.781061 216.9908332 241.9055044 232.8030662 LPE(18:0)>LPE(18:0/0:0)_and_LPE(0:0/18:0)_feature1and2 147169.1227 115119.1688 77098.12205 147513.4701 206228.3442 126853.4745 185293.4564 239506.5526 231526.9605 156492.0242 216289.0158 145253.0547 127101.1303 134826.4629 119218.8035 114781.9749 186436.4716 232152.4369 194550.8764 212293.1085 188888.7624 115767.9441 125614.0954 84710.18193 65499.80598 171314.8672 162778.6979 102935.0715 207445.8293 114594.7562 283544.8951 299561.4072 161933.565 154199.0314 248430.931 229439.4578 237402.3524 206486.6515 324802.7527 148765.6193 166591.1891 140282.26 153606.058 157577.5359 165072.772 156189.2769 183870.5254 169662.242 175664.5264 181611.1321 114.910492 165.0539227 122.1789275 119.2879398 159.6803906 156.423303 LPE(16:0)>LPE(16:0/0:0)_and_LPE(0:0/16:0)_feature1and2 42026.42077 38607.8278 24400.18149 43858.62837 69380.8974 38173.08778 60962.40174 86238.09219 66136.44701 67101.59271 63274.29888 41450.7909 36966.82501 33796.31878 39806.44555 35229.69249 68919.67578 72713.70445 67106.53067 73290.85756 54285.53757 26314.61122 35223.89804 23108.80879 19756.96801 41374.06595 42758.47019 28515.06363 51893.06199 27590.86039 100728.6263 99367.0616 41355.05731 45616.83405 81390.9028 75876.85072 64776.18551 59898.0342 119429.5552 46683.46114 52138.50617 64209.27914 67134.4283 51901.90692 52429.50382 53008.6558 54679.88374 57765.70144 56724.12523 58257.14268 151.4885645 131.2589222 128.0267134 156.0984017 150.6785535 146.4527117 LPC(20:4)>LPC(20:4/0:0)_and_LPC(0:0/20:4)_M+H2CO2_feature1and2 24346.20695 45714.36473 38336.33034 48462.98151 50837.21648 42808.64419 38337.7015 58183.64607 52001.49894 43673.72913 80839.56099 39173.54101 33083.55758 36922.45105 32838.93196 28605.59781 47670.87841 56995.94782 47152.73694 59337.54686 50238.76114 27091.18137 42767.05195 24333.5784 44811.27824 41974.9161 67051.1702 32682.03745 62440.71819 39779.65485 58138.04028 65100.86983 44650.66484 48447.93038 68510.32605 67396.24537 75347.65302 61856.9749 104845.1802 61784.09883 57531.23063 41489.30093 52334.60432 47065.6198 47763.86743 47902.14833 50283.50453 53045.27108 51298.76029 55697.2734 287.7853468 296.9658612 316.2356911 289.2483369 317.7125063 305.7575966 LPC(18:0)>LPC(18:0/0:0)_and_LPC(0:0/18:0)_M+H2CO2_feature1and2 559084.0587 701114.5024 477612.8112 922699.7012 928736.3567 633913.4414 805622.7845 1039419.539 1172774.855 819450.4625 1410806.668 756670.9758 729708.8899 647936.3112 565925.216 591508.7504 859236.3893 1108548.598 968855.8378 986349.1106 879075.8868 540294.0861 696653.3133 517465.2085 510008.4734 737733.2407 893019.9349 540486.1159 886530.0367 565452.1155 1346556.404 1287559.576 890375.819 901334.5011 1320697.548 1208830.782 1301853.554 1169115.113 1678671.863 774719.3972 906594.2109 698011.1392 791507.9504 806703.8527 819790.7115 872825.4031 965193.0282 877106.3333 927344.3833 957309.5089 218.5108215 280.2951267 162.5702198 561.9243832 517.8231544 790.417732 LPC(16:0)>LPC(16:0/0:0)_and_LPC(0:0/16:0)_M+H2CO2_feature1and2 490320.0311 591837.7457 389222.6965 608861.1354 758400.9924 378055.7591 506061.155 647752.9384 581206.6493 461334.7676 804888.4049 562214.9192 584351.303 404678.8489 441073.1539 307391.8196 499614.04 638588.8605 504742.0073 537514.1081 647439.077 319517.3151 441780.5857 327496.9191 325128.1645 451096.1694 543756.732 347930.9047 554183.6945 376705.1407 656395.185 712821.7185 472984.1376 461948.2654 652013.153 609391.1459 551313.6322 596829.8744 967494.8756 552645.065 633633.8912 558030.1749 639756.0429 512904.4554 501274.9661 509942.5409 519945.7538 551938.3289 569969.2109 587930.0034 178.0084542 346.8230028 381.4267695 635.0616777 803.443068 849.0522886 HexCer(d42:2)_M+H2CO2_feature3 4138.79013 20527.29773 17392.34633 9869.620065 5175.227135 5736.192261 18108.57808 12803.85694 31638.95085 5636.531177 363307.4989 11131.2738 18352.55138 7399.008799 12714.60449 6410.98352 8400.276304 89222.75609 10784.06753 8858.618232 31419.10743 3389.664736 19394.00824 5819.198131 11413.66759 8048.22611 13423.55497 6605.204721 6992.272211 4979.882361 11984.00936 31236.53002 46072.74722 46344.34042 30845.82855 13181.70609 42506.34227 131571.125 155705.0941 8729.651577 8882.309501 9117.240376 9516.76181 26771.79194 35930.81884 32525.79203 29704.85319 29958.22804 33302.82913 29374.89284 122.3133936 153.3113222 158.5412514 138.7716525 139.5256715 161.3483646 HexCer(d42:1)_M+H2CO2_feature2 8323.752511 22917.93473 19363.3915 85369.66954 68185.97881 12028.29456 21370.85583 83113.48834 37776.57793 9581.235022 255232.2068 77692.33045 19426.6987 9842.357858 11418.08042 7488.965577 11143.51249 156909.5221 75903.56421 86680.46786 35541.39303 7238.264465 26363.79539 8774.097989 23364.45571 9315.005807 16290.98592 9896.690159 9229.420214 9210.287995 14979.77374 22130.78594 45352.49208 52731.90319 35947.25289 20581.47213 130262.6707 180258.0277 215973.0861 94771.25021 104690.0399 81232.38035 13858.08661 22890.29542 32688.50731 27895.10716 25915.60189 35402.87198 38365.65206 37894.48517 142.2881204 167.7233515 164.5333723 150.4866894 156.6462671 189.1879263 HexCer(d40:1)_M+H2CO2_feature2 2796.114653 11907.87861 8007.764801 5549.654661 2948.05392 4666.290122 11204.18376 6727.517993 16737.19063 3211.991151 141890.6824 5084.271004 9426.8933 3673.374167 6511.926683 4182.895793 5389.416406 26073.93838 6672.057132 5966.649795 13499.74143 2288.949722 10097.84183 3544.914488 10535.90499 4441.099848 9887.789642 3738.467192 3936.645676 3313.335342 9536.737862 13370.59527 12811.9213 15684.58988 14676.7415 9937.120184 14661.3939 30793.35089 37481.75943 5742.234222 5782.448336 6003.10031 6570.427617 8793.502106 10568.4984 13843.26533 15533.52069 10863.04033 15987.65114 10145.36661 115.738753 134.8220697 135.2933806 120.4882514 137.7588353 153.4595875 FA(22:6)_feature1 32253.6613 31027.5852 13168.38368 43599.54799 16030.33999 25522.0299 35373.65268 65185.15808 67193.20028 70604.52619 46272.53142 66796.03891 37122.01843 46009.21097 32300.31606 50333.64737 40806.7537 45505.92825 55096.64523 95704.58753 52131.78419 14452.07464 39124.69212 30987.09756 36707.51067 42044.92303 19693.56257 40255.74411 29459.28728 33888.68381 50663.44656 61035.30983 23264.93402 15753.07094 40827.06588 41647.79468 54351.41488 24994.74937 30303.27316 139704.837 197588.605 111809.721 162201.5616 30575.46454 32215.45906 37647.64472 44486.93785 50298.24297 47935.93012 44763.63054 92.4822388 221.6546966 161.2621382 99.80043126 234.8458469 245.0677997 CL(74:11)_feature1 88578.96657 79184.53265 59307.64394 124593.1804 100845.5547 96736.43971 105557.9237 91361.4179 96447.12711 71032.80266 74661.56742 112943.2699 107102.753 96224.87954 75523.58159 87415.43714 82708.17845 130250.3387 114189.2751 112687.0766 129341.1156 77908.34581 114658.3319 83494.23721 101564.0323 100833.2016 105129.3466 77419.14096 113921.9217 100740.1508 113985.0307 134711.213 140447.4141 122553.5277 129072.1739 128450.7286 119282.3619 133560.3526 144400.8952 120325.9787 140247.4554 92374.65006 116927.3671 104236.9336 97403.08599 97597.04041 108503.0208 105438.5621 111372.599 113319.9335 191.5815229 203.7802703 197.7380675 206.406963 221.3061393 240.9579749 CL(74:10)_feature1 45520.24362 31257.07272 33431.86264 80431.82985 53376.209 51619.30627 54481.31115 67516.9525 60966.56393 54759.58394 47231.44209 54107.21056 40299.76459 54304.87271 39450.91834 49359.08939 65893.96056 95587.14783 75123.23812 79915.82366 82907.14771 43100.01279 69902.47834 48982.76329 56567.91495 62486.25509 61990.61037 49407.6526 69422.02759 59093.22871 88595.32995 94989.59601 78707.47547 78903.0604 90206.77217 84088.59241 86415.69502 83713.51955 88790.23689 74085.01261 77950.29061 75836.33376 88723.42198 62517.94223 63086.28314 61421.64283 60370.01293 74445.43162 70946.01629 71887.00983 199.029625 204.704107 203.9210634 215.5799422 233.9881427 222.2976043 CL(72:8)_M-2H_feature1 358527.7529 281990.9293 218307.9455 652088.9773 416167.2457 399898.6981 469090.8076 382568.266 461569.2822 290626.3343 308319.8181 471876.1895 477882.3446 427795.4617 317795.5169 367434.1171 377654.5084 776843.5011 535404.51 548738.2749 719796.4486 306102.0394 530032.1455 345242.3543 427268.0904 472846.0427 491624.8376 311522.159 547877.5598 415837.8364 637355.5187 758291.2925 648177.4684 549601.8327 664237.3789 642016.9614 559892.962 705021.3019 924388.0014 627272.9935 748418.4925 436419.7587 553774.6185 456818.7549 463033.4624 477021.5935 467489.3665 482823.7741 497098.9463 511261.7484 306.6235846 319.9469799 356.7028922 330.3514969 354.1974232 385.6499148 CL(72:7)_feature1 150578.118 96382.80289 101640.8506 268552.2377 185068.8224 169349.7406 225727.4724 238535.5842 238012.0812 194299.233 194498.2152 171456.671 127113.6311 184364.5923 135255.5704 173522.781 238661.8214 431607.4838 294790.0764 290483.9064 330989.8602 147750.6546 239137.7701 162507.2663 191854.4807 222084.5755 229894.0777 172467.6651 257008.1045 187888.1322 381770.0974 425319.049 288706.7188 277416.0042 353689.6157 337917.8158 348967.2722 348276.9841 585881.5178 273129.318 278822.0977 323870.4509 358581.3587 226544.8749 239272.5698 230927.8831 235107.2562 281903.5713 267814.4094 273432.5894 529.3005381 395.3900421 457.1291434 365.3393668 612.05932 376.7236654 CL(72:6)_feature1 25674.76096 14283.60868 20035.04106 43260.82283 41152.48622 43832.94111 53431.45962 62396.79401 60055.94495 46040.84903 57921.69177 20947.26437 22248.8158 33183.10187 17796.58268 28752.74804 52674.75398 87103.22442 69514.54668 65139.46708 60171.39364 30149.37589 52436.4351 34366.79815 46553.69021 50131.58213 38839.51511 26934.94939 55866.73133 44330.91141 96536.23084 92992.15771 62146.26618 60379.37638 90899.14988 84173.71965 93630.8899 86551.30409 125109.7792 41204.10853 44440.33876 71506.10636 84705.69796 43139.35347 51105.49719 50049.51862 52068.68377 57667.14111 57199.36163 34591.54264 245.5819534 214.4442635 227.3290379 247.6894405 229.4950735 266.4046529 CL(70:7)_feature1 18661.85592 6457.036338 11671.51878 49901.89915 19928.19309 15129.25419 25403.02798 25147.00022 12388.22202 19440.88823 17072.65754 11421.45722 7371.390389 11053.13688 12713.63993 13390.31762 20806.72268 27000.41901 25633.74203 17603.33753 16166.83972 5368.349704 11357.13483 8486.775728 12892.52938 7381.170577 6970.984781 7511.736002 8206.032238 6169.956011 26008.08701 29047.94399 16270.52219 17942.97799 30198.33929 23715.83435 17315.09151 15786.94745 42931.9908 34350.82358 36613.75445 64935.32919 81022.2329 18084.62206 18109.6411 19596.08319 18833.01624 20388.83557 20262.32335 19873.27529 154.6768335 170.6733872 164.6267502 172.8733379 185.3519399 201.8110668 CL(70:6)_feature1 14492.30369 18273.85617 9468.066322 31324.62793 18729.35768 32749.26397 23922.54143 34210.53506 32232.4444 33183.08131 24394.81345 24000.07058 32973.70649 19817.4101 28546.62345 34131.46984 35751.80724 42596.72346 44494.13925 45164.7054 32326.06156 22996.25267 32208.30128 17919.87229 19075.19763 43522.90675 32509.23577 25424.38593 26722.7396 22950.59278 58923.12967 64442.68065 26765.78672 30187.10389 53483.49412 49405.30738 56174.63616 44716.87708 71548.3951 28893.85759 30217.31801 69751.41218 75564.74386 30760.76532 33025.64056 31219.98173 33466.63351 39262.13255 35318.20306 37283.78095 193.4310925 190.3968654 198.184939 217.7547807 227.4062571 216.0445636 Cer(d42:2)_M+H2CO2_feature3 152606.3435 179405.8167 139069.7116 273696.3612 143254.2407 229601.6976 117534.4827 196379.5183 131853.8768 172880.635 159610.4889 206786.5426 209339.1506 183487.9758 157424.79 102714.1405 124837.8027 252077.9921 169272.504 373162.5675 223477.862 81532.87642 194240.2415 254221.9887 217546.2434 196962.1712 221509.947 303524.6842 330939.1678 127490.7454 191956.3549 166550.0903 169079.9759 374574.1875 191536.9299 223049.5199 190599.0758 145075.4104 265648.6476 291375.5231 318233.3448 289265.6526 316832.1035 187771.8402 181632.6069 175677.1409 185960.2079 185907.4372 198490.6126 184807.781 153.9702469 145.6722329 156.1715991 173.3687645 183.3864565 172.5419135 Cer(d42:2)_feature3 212531.7198 288145.9908 209890.815 505427.9054 347965.932 459092.6469 312539.6118 485056.2794 506365.3007 301194.6998 782124.2873 314078.4122 370638.4493 314729.6873 296955.9988 344956.6235 476278.2187 545961.7972 480293.2593 411701.5371 522898.7635 261271.7438 408346.1147 244152.9884 267342.8992 433958.2964 415657.6199 346504.0805 400999.2921 325119.0831 720920.3551 672419.4122 372977.2397 433101.2174 690794.6149 472272.6584 646845.1723 586933.802 830117.8926 397723.0281 469033.0872 474973.9897 522474.5984 374374.0615 342911.8492 310888.0321 386300.9978 372396.8885 375427.8636 368900.8217 407.733526 480.6194171 471.4783765 431.1915218 458.2370227 542.1271996 Cer(d42:1)_feature3 375600.8571 495832.5288 351941.5845 814122.7886 663341.1236 1003286.075 687012.0482 869026.1617 934472.7535 616646.0959 695594.5122 698724.8401 671185.3946 665471.9848 543814.634 750770.0249 930767.8443 1118296.472 1034054.66 941565.2649 990306.624 580603.9298 831627.8518 542642.6217 490707.7716 818806.586 936275.5683 670466.0981 936890.1375 680801.866 1387979.98 1475077.393 733189.5153 832817.3826 1440026.015 1017136.045 1241150.508 1158310.371 1560461.915 881998.3671 887918.7631 776466.7025 833997.0712 785422.1555 755554.6309 724528.7136 762331.8762 823635.5431 806202.275 796203.879 476.9822788 442.4950443 468.4616692 486.8723589 514.2215094 477.0824906 Cer(d41:2)_M+H2CO2_feature2 40781.67156 48357.17051 29381.95511 84082.2657 37039.03102 63464.38463 51594.42313 63026.41544 62137.86682 49297.41638 39745.02422 51959.68099 51166.26668 44857.03613 42131.74213 27197.37131 58811.61581 77206.67499 44715.85067 49514.00204 56712.70192 27522.33689 54770.64192 54555.05488 50315.73409 55802.13594 53052.35993 76361.62715 42001.88719 28120.32302 92598.45912 64976.91695 47627.97452 50429.74797 67316.2001 69908.97303 81543.12945 62237.61813 139536.0292 75163.04557 87936.76069 80513.82097 98767.0779 48609.95553 47154.13666 45711.61091 45173.30708 51051.33619 53594.2079 50331.98207 134.1645527 139.8805621 142.0832327 147.5550507 181.7039229 170.2766003 Cer(d41:1)_M+H2CO2_feature1 113441.8327 154372.9366 84745.47865 258960.7709 195213.0964 283944.7857 204903.7084 289002.7746 313665.8424 215978.8411 173744.2804 199623.8406 183959.6711 194221.0085 155589.4393 236118.6829 342050.8367 366443.84 341914.852 286011.8423 287355.0183 191173.548 237965.0828 145740.1571 123474.9893 271300.4763 270388.8249 206086.488 278913.7879 203812.3669 467486.8757 453353.0421 237631.746 261036.3707 485858.6234 370544.7311 465393.9983 368210.5203 594457.7253 211097.7967 232176.3384 199083.1298 203489.4233 229989.6066 235365.0679 212632.952 242521.7057 233748.7268 252466.122 240016.7607 127.3130453 131.2170159 121.0628476 132.1715724 141.6965964 137.2305719 Cer(d40:1)_M+H2CO2_feature1 56156.81943 73742.24909 49032.87855 126508.0519 96191.06577 147989.1177 106019.1182 137185.8936 142099.7384 95160.26804 147425.346 90704.18043 107270.24 86016.39111 75182.10838 101585.5496 132596.3641 169060.6883 138936.1891 134683.0135 141020.198 71750.88925 131157.2702 73282.3868 80352.05803 123133.1903 120856.5587 82298.18624 136008.7178 90898.4449 215867.306 199343.0686 111015.8897 130124.668 200251.8423 148068.5608 205676.9571 178210.3381 254612.5064 118838.8607 137952.9235 124243.1867 134720.5154 110268.4379 107604.2208 93813.20844 113215.3225 116900.2785 116982.1041 118961.4077 120.2860115 130.315452 131.1659223 139.2201179 136.3062117 150.0299591 Cer(d38:1)_M+H2CO2_feature1 16641.06014 24430.84487 16767.33083 39643.9869 19681.29012 25668.62885 33855.47509 29965.67662 31710.43209 19722.89991 51369.12289 19816.26729 23971.27628 23199.70551 13931.18262 15967.85568 25484.96483 46537.55841 26702.78249 26452.52426 34200.93412 12803.20429 41193.71736 15786.2201 33286.1842 20969.54026 22226.21763 21500.52712 22451.84515 19387.56273 43929.97878 46615.99569 32398.31333 36620.47314 41040.3694 32306.75724 48180.01705 42319.32208 67514.83348 36613.48382 38371.25927 30715.50109 34126.99906 24215.64936 22666.43044 23148.95606 23692.24168 22908.87374 28889.0856 27790.88182 110.9617182 139.0827875 143.8273368 125.8925172 128.9453787 146.3739271 Cer(d36:1)_M+H2CO2_feature1 70951.17072 81569.74683 67934.09168 371942.8625 87162.06738 126538.9222 501479.4307 129388.2508 170424.8722 175803.8077 250670.7109 75192.04856 84948.29458 252955.0082 59987.65728 52901.27313 123584.9633 321678.6135 185870.7821 184024.9948 117368.4765 48378.0208 309352.2377 136680.8668 650351.2257 96895.5046 163643.0576 145311.0129 95967.56475 239017.7947 286465.979 270069.0435 380676.7836 364535.3348 174866.772 310114.1735 409199.2333 220495.0824 286040.1821 238199.8306 282894.0146 213478.5024 291669.5139 174711.1316 191153.6465 192004.6345 199825.634 212709.1061 217207.9663 222926.3915 210.8058585 212.5541065 216.4663921 221.3147901 245.7579206 239.3717969 Cer(d34:1)_M+H2CO2_feature1 227019.2009 292379.0325 242870.1226 397801.141 186569.3938 265097.0637 145007.6594 243092.6551 297654.7592 154568.6032 789312.3935 239096.1811 342072.9411 224596.8833 198070.8004 134619.102 178111.3518 274778.9938 199726.3029 166241.3922 286452.419 174611.5636 263728.6876 262553.9134 277541.0238 232698.9551 252562.5512 268882.4661 210104.596 171541.8836 277083.1363 243823.5234 230786.9908 298950.4449 250377.3829 228553.4068 305038.4203 311499.3494 342157.3372 390720.1252 429564.6349 296655.4109 338635.4375 228546.195 240738.3302 249627.4246 272178.1388 286491.915 268663.6507 280615.3803 194.1585296 243.6049188 240.3893726 200.2483956 270.6278405 258.7007159 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))_[istd]_M+H2CO2 C42 H74 D9 N2 O8 P 782.6381666 783.6465 GTInternalStandard_SM(d36:2(d9))>SM(d18:1/18:1(9z,d9))_[istd]_M+H2CO2 4.52 GTInternalStandard_PG(33:1(d7))>PG(15:0/18:1(9z,d7))_[istd] C39 H68 D7 O10 P 740.5466966 741.5551 GTInternalStandard_PG(33:1(d7))>PG(15:0/18:1(9z,d7))_[istd] 4.54 GTInternalStandard_PC(33:1(d7))>PC(15:0/18:1(9z,d7))_[istd]_M+H2CO2 C42 H75 D7 N O10 P 797.6046966 798.6131 GTInternalStandard_PC(33:1(d7))>PC(15:0/18:1(9z,d7))_[istd]_M+H2CO2 4.9 GTInternalStandard_PC(18:1(d7))>PC(18:1(9z,d7)/0:0)_ and_PC(0:0/18:1(9z,d7))_[istd] M+ H2CO2 C27 H47 D7 N O9 P 573.3897466 574.3981 GTInternalStandard_PC(18:1(d7))>PC(18:1(9z,d7)/0:0)_ and_PC(0:0/18:1(9z,d7))_[istd] M+ H2CO2 2.29 GTInternalStandard_PE(33:1(d7))>PE(15:0/18:1(9z,d7))_[istd] C32 H76 N10 O3 P2 709.5518566 710.5602 GTInternalStandard_PE(33:1(d7))>PE(15:0/18:1(9z,d7))_[istd] 5.12 GTInternalStandard_PE(18:1(d7))>PE(18:1(9z,d7)/0:0)_and_PE(0:0/18:1(9z,d7))_[istd] C23 H47 N6 O3 P 485.3369566 486.3453 GTInternalStandard_PE(18:1(d7))>PE(18:1(9z,d7)/0:0)_and_PE(0:0/18:1(9z,d7))_[istd] 2.32 Sulfatide(d42:1-OH)_feature1 C48 H93 N O12 S 906.6350866 907.6435 Sulfatide(d42:1-OH) 6.83 SM(d43:1)_M+H2CO2_feature2 C49 H99 N2 O8 P 873.7072466 874.7156 SM(d43:1)_ln_b 7.31 SM(d42:3)_M+H2CO2_feature1 C48 H93 N2 O8 P 855.6598066 856.6682 SM(d42:3)_ln_a 6.36 SM(d42:2)_M+H2CO2_feature2 C48 H95 N2 O8 P 857.6764866 858.6849 SM(d42:2)_ln_b 6.86 SM(d40:2)_M+H2CO2_feature2 C46 H91 N2 O8 P 829.6445866 830.653 SM(d40:2)_ln_b 6.47 SM(d40:2)_M+H2CO2_feature1 C46 H91 N2 O8 P 829.6445566 830.6529 SM(d40:2)_ln_a 6.23 SM(d40:1)_M+H2CO2_feature2 C46 H93 N2 O8 P 831.6609166 832.6693 SM(d40:1)_ln_b 6.9 SM(d40:0-OH)_M+H2CO2_feature1 C46 H95 N2 O9 P 849.6626066 850.671 SM(d40:0-OH) 7.2 SM(d38:1)_M+H2CO2_feature2 C44 H89 N2 O8 P 803.6288966 804.6373 SM(d38:1)_ln_b 6.28 SM(d36:1)_M+H2CO2_feature1 C42 H85 N2 O8 P 775.5976766 776.6061 SM(d36:1) 5.3 SM(d34:1)_M+H2CO2_feature1 C40 H81 N2 O8 P 747.5667566 748.5751 SM(d34:1) 4.44 PS(O-42:7)>PS(O-20:3/22:4)_feature1 C48 H82 N O9 P 846.5635266 847.5719 PS(O-20:3/22:4) 6.69 PS(O-40:7)>PS(O-20:3/20:4)_feature1 C46 H78 N O9 P 818.5320866 819.5405 PS(O-20:3/20:4) 6.16 PS(40:6)>PS(18:0_22:6)_feature2 C46 H78 N O10 P 834.5275166 835.5359 PS(18:0_22:6)_ln_b 4.79 PS(40:6)>PS(18:0_22:6)_feature1 C46 H78 N O10 P 834.5650366 835.5734 PS(18:0_22:6)_ln_a 4.73 PS(40:5)>PS(18:0_22:5)_feature2 C46 H80 N O10 P 836.5445366 837.5529 PS(18:0_22:5)_ln_b 5.01 PS(40:4)>PS(18:0_22:4)_feature1 C46 H82 N O10 P 838.5599166 839.5683 PS(18:0_22:4) 5.59 PS(38:4)>PS(18:0_20:4)_feature3 C44 H78 N O10 P 810.5268966 811.5353 PS(18:0_20:4)_ln_c 5.86 PS(38:4)>PS(18:0_20:4)_feature2 C44 H78 N O10 P 810.5285266 811.5369 PS(18:0_20:4)_ln_b 4.99 PS(36:2)>PS(18:0_18:2)_feature4 C42 H78 N O10 P 786.5296866 787.5381 PS(18:0_18:2)_ln_d 5.11 PS(36:1)>PS(18:0_18:1)_feature1 C42 H80 N O10 P 788.5446966 789.5531 PS(18:0_18:1) 5.79 PI(38:4)>PI(18:0_20:4)_feature2 C47 H83 O13 P 885.5507766 886.5592 PI(18:0_20:4)_ln_b 4.88 PI(38:3)>PI(18:0_20:3)_feature2 C47 H85 O13 P 887.5655166 888.5739 PI(18:0_20:3)_ln_b 5.21 PI(36:4)>PI(16:0_20:4)_feature1 C45 H79 O13 P 857.5186766 858.5271 PI(16:0_20:4) 4.11 PI(36:2)>PI(18:0_18:2)_feature2 C45 H83 O13 P 861.5502066 862.5586 PI(18:0_18:2)_ln_b 4.99 PI(36:1)>PI(18:0_18:1)_feature1 C45 H85 O13 P 863.5648166 864.5732 PI(18:0_18:1) 5.68 PI(34:2)>PI(16:0_18:2)_feature1 C43 H79 O13 P 833.5187066 834.5271 PI(16:0_18:2) 4.21 PG(40:8)>PG(18:2_22:6)_feature1 C46 H75 O10 P 817.5031266 818.5115 PG(40:8)_ln_a 3.36 PG(40:7)>PG(18:1_22:6)_feature1 C46 H77 O10 P 819.5188866 820.5273 PG(18:1_22:6) 3.72 PG(36:4)>PG(18:2/18:2)_feature1 C42 H75 O10 P 769.5030266 770.5114 PG(18:2/18:2) 3.52 PG(34:2)>PG(16:0_18:2)_feature1 C40 H75 O10 P 745.5025466 746.5109 PG(16:0_18:2) 4.38 PG(34:2)>PG(16:0_18:2)_feature2 C40 H75 O10 P 745.5029566 746.5113 PG(36:2)_ln_b 3.86 PG(34:1)>PG(16:0_18:1)_feature1 C40 H77 O10 P 747.5176766 748.5261 PG(16:0_18:1) 4.97 PE(O-40:8)>PE(O-22:8/18:0)_and_PE(O-18:2/22:6)_feature2 C45 H76 N O7 P 772.5285066 773.5369 PE(O-40:8)_ln_b 5.01 PE(O-40:7)_feature10 C45 H78 N O7 P 774.5355866 775.544 PE(O-40:7)_ln_j 5.2 PE(O-40:6)>PE(O-18:2/22:4)_feature2 C45 H80 N O7 P 776.5602766 777.5687 PE(O-40:6)_ln_b 5.9 PE(O-40:6)>PE(O-18:1/22:5)_feature4 C45 H80 N O7 P 776.5603166 777.5687 PE(O-18:1/22:5)_ln_d 6.19 PE(O-40:5)>PE(O-18:1/22:4)_feature4 C45 H82 N O7 P 778.5764966 779.5849 PE(O-18:1/22:4)_ln_d 6.69 PE(O-38:7)>PE(O-18:3/20:4)_feature1 C43 H74 N O7 P 746.5131466 747.5215 PE(O-38:7)_ln_a 4.61 PE(O-38:7)>PE(O-16:1/22:6)_and_PE(O-20:7/18:0)_feature2 C43 H74 N O7 P 746.5132966 747.5217 PE(O-38:7)_ln_b 4.98 PE(O-38:6)>PE(O-18:2/20:4)_and_PE(O-16:1/22:5)_feature2 C43 H76 N O7 P 748.5290766 749.5375 PE(O-38:6)_ln_b 5.25 PE(O-38:6)>PE(O-16:1/22:5)_feature3 C43 H76 N O7 P 748.5290766 749.5375 PE(O-16:1/22:5)_ln_c 5.55 PE(O-38:5)>PE(O-18:1/20:4)_feature6 C43 H78 N O7 P 750.5453066 751.5537 PE(O-18:1/20:4)_ln_f 6.16 PE(O-38:5)>PE(O-16:1/22:4)_feature5 C43 H78 N O7 P 750.5453166 751.5537 PE(O-16:1/22:4)_ln_e 5.85 PE(O-36:5)>PE(O-16:1/20:4)_feature3 C41 H74 N O7 P 722.5139466 723.5223 PE(O-16:1/20:4)_ln_c 5.21 PE(O-36:4)>PE(O-18:3/18:1)_feature6 C41 H80 N O7 P 728.5607766 729.5692 PE(O-18:3/18:1)_ln_f 6.82 PE(O-36:4)>PE(O-18:2/18:2)_feature1 C41 H76 N O7 P 724.5282566 725.5366 PE(O-36:4)_ln_a 5.42 PE(O-36:3)>PE(O-18:2/18:1)_feature3 C41 H82 N O7 P 726.5446666 727.553 PE(O-18:2/18:1)_ln_c 6.15 PE(O-36:3)>PE(O-18:1/18:2)_feature6 C41 H78 N O7 P 726.5443866 727.5528 PE(O-18:1/18:2)_ln_f 6.33 PE(O-34:5)>PE(O-17:1/20:4)_feature2 C42 H76 N O7 P 736.5281566 737.5365 PE(O-34:5)_ln_b 5.68 PE(O-34:5)>PE(O-17:1/20:4)_feature1 C42 H76 N O7 P 736.5281466 737.5365 PE(O-34:5)_ln_a 5.51 PE(O-34:3)>PE(O-16:1/18:2)_feature1 C39 H74 N O7 P 698.5126466 699.521 PE(O-34:3) 5.37 PE(O-34:2)>PE(O-16:2/18:0)_and_PE(O-18:2/16:0)_feature1 C39 H76 N O7 P 700.5289866 701.5374 PE(O-34:2)_ln_a 6.1 PE(O-34:1)>PE(O-18:1_16:0)_feature2 C39 H78 N O7 P 702.5445766 703.553 PE(O-34:1)_ln_b 6.8 PE(44:10)>PE(22:4_22:6)_feature1 C49 H78 N O8 P 838.5395966 839.548 PE(22:4_22:6) 4.43 PE(42:8)>PE(20:4_22:4)_feature2 C47 H78 N O8 P 814.5393466 815.5477 PE(20:4_22:4)_ln_b 4.63 PE(42:10)>PE(20:4_22:6)_feature1 C47 H74 N O8 P 810.5083566 811.5167 PE(20:4_22:6) 3.93 PE(40:8)>PE(18:2_22:6)_feature1 C45 H74 N O8 P 786.5086666 787.517 PE(18:2_22:6) 4.07 PE(40:7)>PE(18:2_22:5)_feature1 C45 H76 N O8 P 788.5242566 789.5326 PE(18:2_22:5)_ln_a 4.28 PE(40:7)>PE(18:1_22:6)_and_PE(18:0_22:7)_feature3 C45 H76 N O8 P 788.5242566 789.5326 PE(40:7)_ln_c 4.64 PE(40:6)>PE(18:0_22:6)_feature2 C45 H78 N O8 P 790.5401666 791.5485 PE(18:0_22:6)_ln_b 5.46 PE(40:5)>PE(18:0_22:5)_feature4 C45 H80 N O8 P 792.5549766 793.5634 PE(18:0_22:5)_ln_d 6.05 PE(40:5)>PE(18:0_22:5)_feature3 C45 H80 N O8 P 792.5548566 793.5632 PE(18:0_22:5)_ln_c 5.74 PE(40:4)>PE(20:0_20:4)_feature3 C45 H82 N O8 P 794.5712066 795.5796 PE(40:4)_ln_c 6.6 PE(40:4)>PE(18:0_22:4)_feature2 C45 H82 N O8 P 794.5711866 795.5796 PE(18:0_22:4)_ln_b 6.33 PE(39:6)>PE(17:0_22:6)_feature2 C44 H76 N O8 P 776.5230966 777.5315 PE(17:0_22:6)_ln_b 5 PE(39:4)>PE(19:0_20:4)_feature2 C44 H80 N O8 P 780.5552466 781.5636 PE(19:0_20:4)_ln_b 5.98 PE(39:4)>PE(19:0_20:4)_feature3 C44 H80 N O8 P 780.5550666 781.5634 PE(19:0_20:4)_ln_c 6.18 PE(38:7)>PE(16:1_22:6)_feature1 C43 H72 N O8 P 760.4924966 761.5009 PE(16:1_22:6) 3.94 PE(38:6)>PE(18:2_20:4)_feature2 C43 H74 N O8 P 762.5082566 763.5166 PE(18:2_20:4)_ln_b 4.25 PE(38:6)>PE(16:0_22:6)_feature3 C43 H74 N O8 P 762.5082566 763.5166 PE(16:0_22:6)_ln_c 4.58 PE(38:5)>PE(18:0_20:5)_feature6 C43 H76 N O8 P 764.5245566 765.5329 PE(38:5)_ln_f 5.12 PE(38:5)>PE(16:0_22:5)_and_PE(38:5)>PE(18:1_20:4)_feature3 C43 H76 N O8 P 764.5245366 765.5329 PE(38:5)_ln_c 4.84 PE(38:4)>PE(18:0_20:4)_feature5 C43 H78 N O8 P 766.5402966 767.5487 PE(18:0_20:4)_ln_e 5.71 PE(38:3)>PE(18:0_20:3)_feature3 C43 H80 N O8 P 768.5555266 769.5639 PE(18:0_20:3)_ln_c 6.08 PE(38:3)>PE(18:0_20:3)_feature4 C43 H80 N O8 P 768.5555766 769.564 PE(18:0_20:3)_ln_d 6.37 PE(38:1)>PE(18:1_20:0)_and_PE(18:0_20:1)_feature2 C43 H84 N O8 P 772.5863766 773.5948 PE(38:1)_ln_b 6.94 PE(37:4)>PE(17:0_20:4)_feature2 C42 H76 N O8 P 752.5233366 753.5317 PE(17:0_20:4)_ln_b 5.22 PE(36:5)>PE(16:1_20:4)_feature2 C41 H72 N O8 P 736.4925966 737.501 PE(16:1_20:4)_ln_b 4.11 PE(36:4)>PE(18:2/18:2)_feature1 C41 H74 N O8 P 738.5087166 739.5171 PE(18:2/18:2)_ln_a 4.36 PE(36:4)>(16:0_20:4)_feature3 C41 H74 N O8 P 738.5087466 739.5171 PE(16:0_20:4)_ln_c 4.79 PE(36:3)>PE(18:1_18:2)_feature1 C41 H76 N O8 P 740.5244266 741.5328 PE(18:1_18:2)_ln_a 4.98 PE(36:2)>PE(18:1/18:1)_feature2 C41 H78 N O8 P 742.5404366 743.5488 PE(18:1/18:1)_ln_b 5.67 PE(36:2)>PE(18:0_18:2)_feature2 C41 H78 N O8 P 742.5404266 743.5488 PE(18:0_18:2)_ln_b 5.85 PE(36:2)>PE(18:0_18:2)_feature1 C41 H78 N O8 P 742.5386466 743.547 PE(18:0_18:2)_ln_a 4.71 PE(36:1)>PE(18:0_18:1)_feature3 C41 H80 N O8 P 744.5562266 745.5646 PE(18:0_18:1)_ln_c 6.53 PE(35:2)>PE(17:0_18:2)_feature1 C40 H76 N O8 P 728.5231566 729.5315 PE(17:0_18:2) 5.37 PE(35:1)>PE(17:0_18:1)_feature1 C40 H78 N O8 P 730.5394066 731.5478 PE(17:0_18:1) 6.09 PE(34:3)>PE(16:1_18:2)_feature1 C39 H72 N O8 P 712.4922966 713.5007 PE(34:3)_ln_a 4.22 PE(34:2)>PE(16:0_18:2)_feature2 C39 H74 N O8 P 714.5084266 715.5168 PE(16:0_18:2)_ln_b 4.92 PE(34:1)>PE(16:0_18:1)_feature1 C39 H76 N O8 P 716.5236166 717.532 PE(16:0_18:1)_ln_a 5.61 PC(O-40:9)>PC(O:20:5/20:4)_M+H2CO2_feature1 C49 H82 N O9 P 844.5627566 845.5711 PC(O-20:5/20:4) 5.47 PC(O-36:5)>PC(O-16:1/20:4)_M+H2CO2_feature5 C45 H82 N O9 P 810.5650966 811.5735 PC(O-36:5)_ln_e 4.97 PC(O-34:1)>PC(O-18:1/16:0)_M+H2CO2_feature2 C43 H86 N O9 P 790.5971366 791.6055 PC(O-18:1/16:0)_ln_b 5.96 PC(40:8)>PC(20:4_20:4) _M+H2CO2_feature1 C49 H82 N O10 P 874.5609566 875.5693 PC(40:8) 3.93 PC(40:6)>PC(18:0_22:6) _M+H2CO2_feature3 C49 H86 N O10 P 878.5922466 879.6006 PC(18:0_22:6)_ln_c 5.23 PC(40:5)>PC(18:0_22:5)_M+H2CO2_feature3 C49 H88 N O10 P 880.6071966 881.6156 PC(18:0_22:5)_ln_c 5.51 PC(40:4)>PC(18:0_22:4)_M+H2CO2_feature2 C49 H90 N O10 P 882.6235066 883.6319 PC(18:0_22:4)_ln_b 6.11 PC(38:6)>PC(18:2_20:4)_M+H2CO2_feature1 C47 H82 N O10 P 850.5613166 851.5697 PC(18:2_20:4)_ln_a 4.08 PC(38:6)>PC(16:0_22:6)_and_PC(38:6)>PC(18:0_20:6)_M+H2CO2_feature2 C47 H82 N O10 P 850.5613766 851.5698 PC(38:6)_ln_b 4.4 PC(38:4)>PC(18:0_20:4)_M+H2CO2_feature4 C47 H86 N O10 P 854.5930166 855.6014 PC(18:0_20:4)_ln_d 5.46 PC(38:3)>PC(18:0_20:3)_M+H2CO2_feature3 C47 H88 N O10 P 856.6074066 857.6158 PC(18:0_20:3)_ln_c 5.86 PC(38:2)>PC(18:0_20:2)_M+H2CO2_feature4 C47 H90 N O10 P 858.6234166 859.6318 PC(18:0_20:2)_ln_d 6.44 PC(37:4)>PC(17:0_20:4)_M+H2CO2_feature3 C46 H84 N O10 P 840.5757766 841.5842 PC(17:0_20:4)_ln_c 5.01 PC(36:5)>PC(16:1_20:4)_M+H2CO2_feature2 C45 H80 N O10 P 824.5450466 825.5534 PC(16:1_20:4)_ln_b 3.96 PC(36:4)>PC(18:2/18:2)_M+H2CO2_feature2 C45 H82 N O10 P 826.5618666 827.5702 PC(18:2/18:2)_ln_b 4.19 PC(36:4)>PC(16:0_20:4)_M+H2CO2_feature3 C45 H82 N O10 P 826.5618666 827.5702 PC(16:0_20:4)_ln_c 4.59 PC(36:3)>PC(18:1_18:2)_M+H2CO2_feature2 C45 H84 N O10 P 828.5765066 829.5849 PC(18:1_18:2)_ln_b 4.77 PC(36:2)>PC(18:0_18:2)_M+H2CO2_feature3 C45 H86 N O10 P 830.5934566 831.6018 PC(18:0_18:2)_ln_c 5.61 PC(36:1)>PC(16:0_20:1)_and_PC(18:0_18:1)_M+H2CO2_feature1 C45 H88 N O10 P 832.6089866 833.6174 PC(36:1)_ln_a 6.33 PC(36:0)>PC(18:0/18:0)_M+H2CO2_feature3 C45 H90 N O10 P 834.6234366 835.6318 PC(18:0/18:0)_ln_c 6.88 PC(35:4)>PC(15:0_20:4)_M+H2CO2_feature2 C44 H80 N O10 P 812.5449066 813.5533 PC(15:0_20:4)_ln_b 4.22 PC(35:2)>PC(17:0_18:2)_M+H2CO2_feature2 C44 H84 N O10 P 816.5763966 817.5848 PC(17:0_18:2)_ln_b 5.15 PC(34:3)>PC(16:1_18:2)_M+H2CO2_feature1 C43 H80 N O10 P 800.5449466 801.5533 PC(16:1_18:2)_ln_a 4.06 PC(34:2)>PC(16:0_18:2)_M+H2CO2_feature1 C43 H82 N O10 P 802.5618566 803.5702 PC(16:0_18:2)_ln_a 4.71 PC(34:1)>PC(16:0_18:1)_M+H2CO2_feature2 C43 H84 N O10 P 804.5775966 805.586 PC(16:0_18:1)_ln_b 5.37 PC(34:0)>PC(16:0_18:0)_M+H2CO2_feature3 C43 H86 N O10 P 806.5924066 807.6008 PC(16:0/18:0)_ln_c 6.26 PC(32:2)>PC(14:0_18:2) M+ H2CO2_feature3 C41 H78 N O10 P 774.5293766 775.5378 PC(14:0_18:2)_ln_c 3.99 PC(32:1)>PC(14:0_18:1)_and_PC(16:0_16:1) M+ H2CO2_feature2 C41 H80 N O10 P 776.5448466 777.5532 PC(32:1)_ln_b 4.55 PC(32:0)>PC(16:0_16:0)_M+H2CO2_feature2 C41 H82 N O10 P 778.5611366 779.5695 PC(32:0)_ln_b 5.3 PC(30:0)>PC(14:0_16:0)_M+H2CO2_feature1 C39 H78 N O10 P 750.5288166 751.5372 PC(30:0)_ln_a 4.47 LPE(O-15:0)_feature1 C20 H44 N O6 P 424.2842966 425.2927 LPE(O-15:0) 2.33 LPE(20:4)>LPE(20:4/0:0)_feature2 C25 H44 N O7 P 500.2774066 501.2858 LPE(20:4/0:0)_ln_b 1.94 LPE(18:0)>LPE(18:0/0:0)_and_LPE(0:0/18:0)_feature1and2 C23 H48 N O7 P 480.3086466 481.317 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 452.2773766 453.2858 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 588.3301066 589.3385 LPC(20:4)_ln_ab 1.91 LPC(18:0)>LPC(18:0/0:0)_and_LPC(0:0/18:0)_M+H2CO2_feature1and2 C27 H56 N O9 P 568.3617966 569.3702 LPC(18:0)_ln_ab 2.55 LPC(16:0)>LPC(16:0/0:0)_and_LPC(0:0/16:0)_M+H2CO2_feature1and2 C25 H52 N O9 P 540.3303166 541.3387 LPC(16:0)_ln_ab 2.23 HexCer(d42:2)_M+H2CO2_feature3 C49 H93 N O10 854.6732266 855.6816 HexCer(d42:2)_ln_c 6.93 HexCer(d42:1)_M+H2CO2_feature2 C49 H95 N O10 856.6888766 857.6973 HexCer(d42:1)_ln_b 7.22 HexCer(d40:1)_M+H2CO2_feature2 C47 H91 N O10 828.6575366 829.6659 HexCer(d40:1)_ln_b 6.97 FA(22:6)_feature1 C22 H32 O2 327.2318366 328.2402 Docosahexaenoic acid 2.51 CL(74:11)_feature1 C83 H140 O17 P2 1469.947297 1470.9557 CL(74:11) 7.68 CL(74:10)_feature1 C83 H142 O17 P2 1471.962807 1472.9712 CL(74:10) 7.86 CL(72:8)_M-2H_feature1 C81 H142 O17 P2 1447.967087 1448.9755 CL(72:8) 7.67 CL(72:7)_feature1 C81 H144 O17 P2 1449.981827 1450.9902 CL(72:7) 7.86 CL(72:6)_feature1 C81 H146 O17 P2 1451.996617 1453.005 CL(72:6) 8.05 CL(70:7)_feature1 C79 H140 O17 P2 1421.949817 1422.9582 CL(70:7) 7.64 CL(70:6)_feature1 C79 H142 O17 P2 1423.965507 1424.9739 CL(70:6) 7.86 Cer(d42:2)_M+H2CO2_feature3 C43 H83 N O5 692.6200666 693.6284 Cer(d42:2)_ln_d 7.31 Cer(d42:2)_feature3 C42 H81 N O3 646.6145266 647.6229 Cer(d42:2)_ln_c 7.2 Cer(d42:1)_feature3 C42 H83 N O3 648.6306166 649.639 Cer(d42:1)_ln_c 7.56 Cer(d41:2)_M+H2CO2_feature2 C42 H81 N O5 678.6041766 679.6126 Cer(d41:2)_ln_b 7.16 Cer(d41:1)_M+H2CO2_feature1 C42 H83 N O5 680.6200766 681.6285 Cer(d41:1) 7.4 Cer(d40:1)_M+H2CO2_feature1 C41 H81 N O5 666.6043066 667.6127 Cer(d40:1)_ln_a 7.24 Cer(d38:1)_M+H2CO2_feature1 C39 H77 N O5 638.5725966 639.581 Cer(d38:1) 6.94 Cer(d36:1)_M+H2CO2_feature1 C37 H73 N O5 610.5411866 611.5496 Cer(d36:1) 6.38 Cer(d34:1)_M+H2CO2_feature1 C35 H69 N O5 582.5095766 583.518 Cer(d34:1) 5.4 METABOLITES_END #END