#METABOLOMICS WORKBENCH efahy_20230425_000066 DATATRACK_ID:3963 STUDY_ID:ST002644 ANALYSIS_ID:AN004316 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 ST:STUDY_TITLE Gastrocnemius 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 BC49E4EF-E2FE-4269-BAF0-461F768BD95D 90217015510 Group:Control | Timepoint:8 weeks of training or control time | Sex:Male raw_file=90217015510.raw SUBJECT_SAMPLE_FACTORS 0BD282C7-7832-4581-9089-08A32D557034 90218015510 Group:Training | Timepoint:8 weeks of training or control time | Sex:Male raw_file=90218015510.raw SUBJECT_SAMPLE_FACTORS 955498F4-70A0-4D50-A2BA-619A8FED8FEF 90222015510 Group:Training | Timepoint:8 weeks of training 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time | Sex:Female raw_file=90571015510.raw SUBJECT_SAMPLE_FACTORS B137E81D-A9DE-4E3A-8E2B-AD6C22920B7E 90576015510 Group:Training | Timepoint:2 weeks of training | Sex:Female raw_file=90576015510.raw SUBJECT_SAMPLE_FACTORS DC8B35E8-4AA8-4829-8569-F223D069620C 90578015510 Group:Training | Timepoint:2 weeks of training | Sex:Female raw_file=90578015510.raw SUBJECT_SAMPLE_FACTORS 8904857C-2073-4BBA-AC7C-1EC239E5BFF7 90581015510 Group:Training | Timepoint:2 weeks of training | Sex:Female raw_file=90581015510.raw SUBJECT_SAMPLE_FACTORS 1F9BD644-303F-43E7-94BE-FF6654306F5E 90585015510 Group:Training | Timepoint:2 weeks of training | Sex:Female raw_file=90585015510.raw SUBJECT_SAMPLE_FACTORS 0409BED3-F9FE-4C06-9920-74F5E5CA04A3 90587015510 Group:Training | Timepoint:2 weeks of training | Sex:Female raw_file=90587015510.raw SUBJECT_SAMPLE_FACTORS - IPE_Reference_Gastrocnemius Group:QC-Reference | Timepoint:0 hour | Sex:- raw_file=IPE_Reference_Gastrocnemius.raw SUBJECT_SAMPLE_FACTORS - IPE_Reference_Gastrocnemius02 Group:QC-Reference | Timepoint:0 hour | Sex:- raw_file=IPE_Reference_Gastrocnemius02.raw SUBJECT_SAMPLE_FACTORS - SED_Reference_Gastrocnemius Group:QC-Reference | Timepoint:0 hour | Sex:- raw_file=SED_Reference_Gastrocnemius.raw SUBJECT_SAMPLE_FACTORS - SED_Reference_Gastrocnemius02 Group:QC-Reference | Timepoint:0 hour | Sex:- raw_file=SED_Reference_Gastrocnemius02.raw SUBJECT_SAMPLE_FACTORS - QC01 Group:QC-Pooled | Timepoint:0 hour | Sex:- raw_file=QC01.raw SUBJECT_SAMPLE_FACTORS - QC02 Group:QC-Pooled | Timepoint:0 hour | Sex:- raw_file=QC02.raw SUBJECT_SAMPLE_FACTORS - QC03 Group:QC-Pooled | Timepoint:0 hour | Sex:- raw_file=QC03.raw SUBJECT_SAMPLE_FACTORS - QC04 Group:QC-Pooled | Timepoint:0 hour | Sex:- raw_file=QC04.raw SUBJECT_SAMPLE_FACTORS - QC05 Group:QC-Pooled | Timepoint:0 hour | Sex:- raw_file=QC05.raw SUBJECT_SAMPLE_FACTORS - QC06 Group:QC-Pooled | Timepoint:0 hour | Sex:- raw_file=QC06.raw SUBJECT_SAMPLE_FACTORS - QC07 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 - 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 - 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 #COLLECTION CO:SAMPLE_TYPE Gastrocnemius #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 AN:ANALYSIS_DETAILS: NA #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 ST002644_AN004316_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 90217015510 90218015510 90222015510 90223015510 90225015510 90227015510 90229015510 90232015510 90237015510 90239015510 90245015510 90248015510 90251015510 90252015510 90254015510 90258015510 90259015510 90265015510 90266015510 90267015510 90280015510 90281015510 90283015510 90289015510 90292015510 90406015510 90410015510 90412015510 90416015510 90420015510 90421015510 90422015510 90423015510 90426015510 90430015510 90439015510 90441015510 90444015510 90449015510 90450015510 90559015510 90560015510 90564015510 90567015510 90571015510 90576015510 90578015510 90581015510 90585015510 90587015510 IPE_Reference_Gastrocnemius IPE_Reference_Gastrocnemius02 SED_Reference_Gastrocnemius SED_Reference_Gastrocnemius02 QC01 QC02 QC03 QC04 QC05 QC06 QC07 QC08 SampleBlank01 SampleBlank02 SampleBlank03 SampleBlank04 SampleBlank05 SampleBlank06 GTInternalStandard_SM(d36:2(d9))>SM(d18:1/18:1(9z,d9))_M+H2CO2_feature1 106020.2592 105110.4313 111721.3195 117878.5715 118696.5932 104443.8389 118048.127 102097.5114 104367.505 110762.4636 115055.1689 108628.7987 111210.6599 107189.322 107446.1656 109201.436 118164.0993 117746.0363 112774.5812 110087.9407 97567.09615 111237.3482 111523.3877 120368.5724 105355.8759 104231.2665 109569.6944 121008.6157 111697.0836 120397.7118 108353.6767 109823.3165 113624.9832 106772.996 109292.792 109922.082 109398.4631 121521.1311 116788.7273 101134.9771 106567.2776 117629.0532 104030.0117 107113.9737 126594.1111 108661.8058 123397.859 108397.2657 109770.2226 105241.5153 115912.5465 109037.179 122403.989 109614.8299 110742.1518 108113.1771 109689.4205 107108.5741 101705.9873 112022.6237 107357.2981 110715.643 177.3201988 156.501634 159.1189424 173.5517536 165.5345099 173.5535532 GTInternalStandard_PG(33:1(d7))>PG(15:0/18:1(9z,d7))_feature1 219599.2731 200778.957 216967.7356 237959.7914 213528.7425 206281.8219 214872.1287 210960.4506 214106.4563 222968.6708 214373.0809 209272.6531 223485.607 204021.2331 222787.4919 211752.3165 217146.3044 225311.0101 205622.5476 217342.2419 213537.3618 221970.849 216288.4897 220959.0959 212959.6951 211956.6791 212344.5892 209612.9066 224085.1874 208319.633 219318.2235 218443.4017 216618.7086 206154.7203 198793.329 208235.7718 223169.8206 218546.5766 225410.9186 210626.74 220937.5356 224194.5945 222341.7273 209827.892 216533.8492 213368.2776 228967.1787 205337.5779 201029.3996 197939.1105 220295.2862 191415.8739 214033.7766 199951.8356 222688.41 210275.3118 209722.7975 206849.4847 208574.7285 213941.0092 217828.878 214206.6653 201.9899708 178.3706137 181.450946 204.8322935 195.4677738 211.6573566 GTInternalStandard_PE(33:1(d7))>PE(15:0/18:1(9z,d7))_feature1 44472.40403 44599.1993 43306.5945 46350.91566 47723.68328 45501.09749 45567.29666 44768.85347 43537.68877 45183.02157 44836.73437 43387.60757 45263.39086 45075.83882 44594.92346 43481.25693 46618.94369 44838.09051 45622.83828 45642.08526 44209.44996 46932.66096 44385.78554 43928.93987 44069.28692 43048.77337 44419.23714 44692.12392 44661.20202 43353.64074 45650.7521 44090.57214 45818.33256 41132.04266 47843.48517 46198.3875 47224.61494 45567.95266 47305.50297 46697.64235 44585.68782 47464.19947 44732.96425 44464.30848 44073.54115 41417.43288 44943.54186 45059.47003 41580.85311 43785.91214 42522.64472 44596.37892 45614.59971 45247.80156 46008.64899 45026.56753 48063.47048 44207.02355 46028.48547 43822.32523 48762.4663 44888.23337 704.3769535 540.2924796 746.8770322 637.3457568 218.6380308 215.996844 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 59887.71874 56100.59414 56007.70378 58949.47799 53828.61542 55126.99567 55835.79018 58121.40063 54418.9663 56227.33022 54590.08921 56023.25974 53291.20621 53079.81568 55222.65492 57450.30012 56955.15748 55597.78287 55619.48472 55413.27366 56590.91431 55047.91574 52699.06304 54518.75362 51748.65354 57827.52255 53965.36469 52595.56569 56865.75189 54304.85336 54167.61859 56173.73975 57814.90983 53911.23464 52917.23643 55615.46466 56443.34216 59332.55066 55484.06227 54897.31393 56187.49065 56373.6378 56295.45616 57864.85108 58235.05908 56477.18715 56473.35162 53071.20046 54041.94441 53875.70647 57106.73162 55425.81441 56722.58453 55913.99008 54941.92224 55680.29426 57058.17238 54432.23136 55074.05534 53823.39148 56205.22622 55905.20465 151.6953573 177.1785122 157.5563846 157.5076628 161.9676827 163.3204116 GTInternalStandard_PC(33:1(d7))>PC(15:0/18:1(9z,d7))_M+H2CO2_feature1 744739.4954 703264.1513 693299.5063 741244.5847 759551.0952 649622.9608 703951.1421 653203.0819 649624.6748 713396.5132 766006.9769 774929.447 731598.7866 792619.6021 669212.2686 700074.3246 749062.5965 682763.1532 738393.1909 688090.4 660277.2452 720718.6509 747386.7739 798085.5124 667039.4327 742164.2555 663743.1108 771151.8839 764932.1946 719699.1875 753288.293 757972.0825 701921.5314 761870.42 723858.7756 697542.5292 730574.3184 799024.1485 745959.0381 668340.4786 721211.9381 697426.6382 703034.78 659373.2941 737439.6814 660718.51 789864.05 707233.9162 714168.6167 743677.8505 758195.8103 778094.04 764294.4075 688121.5805 712656.9809 757287.2551 731024.6909 684018.8432 690358.1764 727227.1783 695620.3442 758374.44 219.2679965 217.1195105 219.9545351 259.9159775 241.4230996 246.0280166 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 138484.489 134445.9197 137355.043 139249.79 131389.1503 134011.1575 135835.2117 133421.4942 139473.2057 138789.3896 139536.2023 141609.2436 135222.5578 132001.6363 139432.6588 137719.9622 136559.2829 133116.3975 133384.1569 132083.3745 139150.6908 132803.8168 132879.4155 132467.0553 131959.3405 139211.7902 137950.1862 137838.0405 148407.4994 136235.6012 137594.1775 132965.2548 141213.2213 135140.9475 137608.383 132983.1908 140817.2745 143543.1842 135380.6287 143372.5324 134999.8884 135207.9354 138458.7134 135394.939 144483.7956 139256.0049 140716.1225 131394.0072 131415.8953 126272.7316 134224.5402 131227.2923 138089.2144 132923.8863 139324.174 138268.6402 133900.1853 133421.6404 132267.9006 132468.3714 138920.2714 139248.2006 167.9862276 170.468891 178.5872517 186.6307649 178.0825834 182.0783398 GTInternalStandard_PS(33:1(d7))>PS(15:0/18:1(9z,d7))_feature1 19810.95093 18661.32389 19120.5523 17820.64513 17910.17697 19088.77342 16292.7768 21262.80004 16525.35351 16270.25931 15128.01632 17736.38852 15220.79315 17859.90996 18040.8346 17822.24396 17042.41563 16044.248 9284.100354 12059.56892 14201.36861 9771.999754 11458.51022 5981.485097 6814.356513 14961.47193 11885.30397 994.1142682 18544.52381 18481.02874 17079.06741 16667.63587 17082.54494 16643.75802 14121.11412 17707.44486 16822.37388 13791.24812 14694.21273 16857.37614 18602.66847 17875.47573 18030.44162 17408.85796 15407.48293 18068.08836 14854.88561 16895.32688 14971.40097 17988.43551 14400.06431 15915.9968 13718.31488 15799.8745 15599.58255 14420.54046 17173.28702 16322.26624 16040.66301 13486.82877 16494.7173 15711.75349 514.9720241 226.2620992 613.3129507 273.0154469 250.9756162 1059.473624 GTInternalStandard_PI(33:1(d7))>PI(15:0/18:1(9z,d7))_feature1 61021.1081 61357.31811 55649.53321 41090.05773 57288.50105 50684.59085 57333.40876 50626.57193 43573.57404 57247.13398 46242.68917 53499.95673 57965.56619 52271.38531 51907.9 50921.03548 57950.06228 57677.37319 49744.23652 49721.97459 53868.05635 37148.03184 37471.93801 37197.38504 35547.58405 44106.47419 45283.58931 17672.87018 31147.26745 43878.15309 32666.97273 50106.607 50200.767 39392.12289 47379.87322 53713.61386 41300.65964 59851.57449 48517.97144 46427.48814 44094.92969 37419.56192 35719.49682 60527.06495 52694.53991 52509.22394 57061.65519 47390.71656 43793.99679 31997.12952 54066.04402 29868.85533 34028.23696 46806.18636 52240.92133 34189.21579 50404.48332 51054.30393 49739.66168 46184.59262 46858.77208 44876.25866 203.0198967 200.7227601 197.1665752 194.2349521 191.0302632 219.4541904 Sulfatide(d42:1-OH)_feature1 18578.2323 8007.752688 22829.87453 8454.677843 13630.56598 15285.56255 19451.39254 31408.18506 29553.91047 10550.85801 20909.46071 25479.46193 14754.62018 20955.28914 22554.96085 27735.08948 12170.69004 22931.93661 12866.02364 17534.60887 18329.8945 23126.56497 37100.36384 11113.15763 27371.56154 25521.01817 43410.7832 19809.18999 30956.80312 29137.80968 14816.66779 14715.65401 17534.81099 13746.59178 9761.457376 26317.36244 22909.62771 12024.08236 14724.71476 14027.0755 16100.43654 29915.82827 15134.36174 41720.62037 41620.948 77424.36914 22257.56563 23150.7478 23065.55229 32612.2521 11837.6439 12396.2319 30321.09196 34898.46244 24754.55781 23159.45764 22286.11273 22188.6424 23672.65018 22440.79441 22832.09938 24814.70076 136.5602468 144.1511243 164.3514469 177.2438526 210.7846344 223.7766673 Sulfatide(d42:1)_feature2 17131.97643 6136.554726 31305.96895 4623.351091 11062.79541 13090.41252 26105.57534 24430.78009 24787.98309 6054.582562 18672.23763 23643.09516 8679.448473 14045.12677 14479.39447 21005.9481 9227.077751 27641.18169 9649.513941 15341.91173 15735.48768 30015.99491 45790.04125 5401.933844 23602.61581 19306.381 35672.31484 14745.98146 38003.02441 25445.43146 14560.34799 12385.30674 15524.34804 13723.21566 13490.49139 32489.92125 31475.43255 8579.292932 16501.46232 13717.94712 10314.76539 39974.39146 6793.518819 45383.64794 43808.55076 108993.7853 24222.66067 13790.09007 14174.67485 33828.66081 18251.26962 18686.63666 27781.22805 27369.02022 23250.22885 23378.1971 20985.91176 21067.42425 21820.14151 20497.87283 24628.43219 22657.88313 136.428563 146.9714234 163.6491421 185.9819818 180.3507113 202.2983085 SM(d42:3)_M+H2CO2_feature1 52049.32368 52896.34342 66058.69662 44855.50373 52238.25295 54317.93996 48443.38401 63898.06817 51900.13568 37663.90094 46650.40326 51017.18636 63635.24056 38321.92584 45915.00496 43127.92908 41588.39317 56357.77054 41657.74128 49026.6371 59261.92566 68606.15134 51809.07588 37647.95881 66911.03402 57814.55247 83788.64564 39959.6516 72183.27197 40529.69438 39593.69737 44284.32432 40193.00199 39415.42157 38373.15721 41486.55248 58588.25522 37471.43302 35609.2054 55088.91196 39568.98946 67421.51731 42808.84043 61625.46208 49360.74593 148393.0503 47883.65817 44257.55986 52253.85101 77380.32582 39715.9911 39488.85354 35533.78171 35315.72327 55057.81809 55099.81019 50946.14063 56328.26589 54503.47323 56206.65117 52242.94862 55038.74038 251.9334008 237.9657195 256.4452763 291.5884921 272.4879801 267.2452401 SM(d42:2)_M+H2CO2_feature2 361060.932 339751.193 471969.4413 307383.8174 349315.2635 370981.4958 353877.7067 335937.5453 342611.7278 232356.2967 293662.6758 360054.5866 414704.9251 308553.5942 341803.6297 313219.547 295465.6071 417386.8688 288213.1879 375473.5391 363251.6902 412071.0367 416034.4699 276840.6243 455714.8634 391782.9268 573782.8479 294747.6284 507072.1204 306541.8733 274469.2607 286210.996 281437.6691 262202.6162 283750.1809 323107.3559 394580.8664 248768.1665 277681.2946 338285.5681 291761.9249 496983.935 289375.545 464188.676 354763.9537 981886.4184 354064.5892 312265.2519 371010.7176 597679.1012 238348.7065 236059.1527 261038.7304 252105.1851 383752.1264 379553.3012 375714.6339 369907.095 397778.1316 374571.1 387829.3346 373965.0416 178.9564305 239.1952206 221.8968918 179.405668 225.1326503 238.2971905 SM(d42:1)_M+H2CO2_feature2 343703.6355 361220.7759 449975.6756 300188.7755 334516.9919 378741.4276 384514.1464 376481.2569 355296.3712 258110.1126 289838.6332 320520.4067 381127.9541 264197.9931 332890.3136 330410.9579 315336.629 340298.7818 274978.3728 273784.5075 361087.7869 431494.342 403983.6244 286186.1235 448930.6117 406299.3719 467313.0303 272208.2092 466438.8587 300489.4111 313075.8547 322218.5333 193547.6371 307635.3958 273110.0483 325964.9195 400642.7601 266267.7425 312698.0412 367373.3605 285830.0904 416431.3511 311224.2996 402363.1182 351831.9097 698430.9546 312910.7079 315846.5325 337376.8792 403884.7506 227361.3709 245144.9802 245175.1161 247636.7124 360235.2185 360399.2798 372765.5882 358489.4078 344895.5607 385630.8634 346749.0904 366591.6042 193.7732062 190.7624617 199.0003174 191.6647809 198.9011115 215.1138788 Sulfatide(d41:1)_feature1 111760.0952 106596.9491 138040.852 109076.9218 102740.7515 145190.8152 126338.4746 120456.2275 122950.94 83688.72072 94640.05777 117385.0737 140064.3101 84788.25092 118640.2163 116565.0927 115942.4062 98907.21362 92531.19951 152796.0602 125253.9087 124015.5528 111414.5634 94722.99703 139554.4957 151873.665 177907.2801 104892.7518 147417.4646 110002.6301 91334.0531 98946.85829 81992.27091 91082.38401 75405.85849 101233.3494 99614.30723 83660.56437 96565.84969 114132.6486 115900.3105 102281.1734 130508.7216 142251.7678 103718.4476 205204.4963 93995.28501 121123.8562 134404.4533 127719.8445 60350.38189 57725.45216 73205.4968 70460.47407 115191.8668 122849.5302 122392.6758 111377.2167 123225.5565 117096.197 115687.0848 121235.6447 170.7792949 294.0219479 299.7798988 164.6901695 281.5864285 275.9714626 SM(d40:1)_M+H2CO2_feature2 195213.5561 152622.7398 245143.4585 151139.1861 164176.2495 186496.6648 220748.8352 217393.5023 214532.3595 136944.9019 166174.113 186866.4373 216713.0744 146909.2995 180776.4454 178855.8441 153434.4161 198524.9797 144279.9284 203429.1462 192421.4404 247395.1772 240184.3936 138718.3293 271102.0558 217048.7238 293450.0623 160925.5019 289132.2496 174487.2086 149421.6409 166096.4639 148055.6768 147261.2416 157913.186 194579.3203 208175.813 146169.4973 172016.3376 199270.136 163327.9422 278315.6538 159553.4798 267587.0515 192716.1333 508206.0663 191587.1894 163625.5458 190357.3419 277438.0349 125761.8591 135881.4627 149386.6377 144009.9806 204111.1913 201504.6206 191666.6346 201945.5633 204747.1766 191215.9431 204893.4295 201200.9329 174.2080675 187.2323691 207.9896276 198.2884843 198.1176699 204.5687889 SM(d38:1)_M+H2CO2_feature2 88614.55914 67021.41557 81625.57981 63529.17448 67859.02388 81688.90696 86961.91172 93390.94428 88773.99781 62903.42354 68842.97976 75931.02701 97249.12572 59648.09069 75073.88896 67666.96941 63216.87144 65779.82906 58627.38726 79685.80016 79600.7189 87364.09234 80687.40386 57533.95943 93814.54227 84652.24747 105641.5845 55884.95292 94840.71934 65659.53984 59920.64246 72125.27793 58070.88678 63751.45689 55481.69699 67225.27293 73140.75933 60535.70267 64326.81592 73964.82901 65578.26776 85593.02397 75622.89416 89244.70611 73552.58719 146852.5276 61444.11371 66186.99399 78363.03098 95915.94876 56498.39277 57164.96071 57957.27348 56701.99994 76688.78089 78143.34632 75312.51896 76606.26665 74796.55876 75623.35981 74224.47143 79566.65789 242.7616194 245.4524177 246.0336247 291.3337112 271.4181509 252.9327467 SM(d36:1)_M+H2CO2_feature1 1560687.021 1412809.15 1251631.51 1232090.231 1049846.411 1605535.761 1335545.385 1709827.221 1697373.743 1263786.062 1265428.627 1515789.832 1493566.933 1392203.765 1544702.804 1443227.157 1340409.526 1210428.377 1353974.477 1321497.992 1737074.746 1372330.109 1238025.345 1422447.481 1518200.495 1412524.723 1565569.615 796180.9588 1511851.22 1231756.102 1129520.966 1396417.978 1176114.552 1288732.262 1057070.376 1353541.761 1262739.778 1179050.591 1112242.712 1581154.222 1430579.625 1386618.502 1481248.603 1464195.203 1459027.395 1384802.589 1070768.847 1294339.144 1326630.702 1334798.652 1135299.051 1202234.486 1173256.391 1179493.201 1450745.676 1383440.155 1366347.657 1328316.839 1386757.61 1379946.44 1395353.062 1421932.25 322.6122541 243.6939746 256.6779762 262.4354327 281.0825467 265.5743793 Sulfatide(d34:1)_feature1 415580.9385 370823.516 382995.7306 317310.0034 347771.3239 353133.2471 385551.366 471363.4421 406283.9913 333403.3518 341441.7258 357694.703 195211.9007 308275.7737 381607.2895 337334.2775 310213.7249 336993.0771 314446.289 320247.0686 469851.4052 376206.4076 362465.6315 333237.1507 463415.6123 326337.1174 458914.7898 197946.4351 402476.102 312386.4721 299010.0308 388790.8629 289512.083 331796.8703 298800.0601 334447.3916 354245.2952 339817.1339 290892.0411 409592.8041 310274.475 387258.2197 332961.1186 390337.4506 338339.3024 494747.1896 261104.2336 339352.4278 337905.126 393227.4635 297405.0611 292482.684 292781.5093 277002.417 360214.6916 360504.2873 353659.8545 347982.2201 368246.5958 346159.7653 365260.6972 356812.5502 225.1890436 231.4341955 188.4557513 226.2031927 207.2324478 222.0569365 PS(O-42:7)>PS(O-20:3/22:4)_feature1 32037.01177 31203.74928 33538.91111 30138.13427 26648.46563 33931.14159 27820.6068 38170.36094 28681.42937 23356.70625 24048.92354 20688.66883 23211.08853 18969.19213 25805.99006 22979.4544 21990.68677 21045.86036 18557.9806 24765.51706 27973.07819 26640.1808 24567.89329 20356.26869 33122.80915 24565.96353 33782.26934 14013.72148 30242.35668 18382.59774 22189.05474 28824.09215 23114.77387 23677.59963 20987.39872 26868.56559 29069.23315 23815.66644 21129.43166 34766.07542 25432.95181 27910.10806 26274.32136 30513.82788 25038.81293 46652.48154 21630.83336 27414.37079 28580.09127 35408.26557 19020.55414 21100.1715 20665.4241 21503.52602 29937.77252 27733.87912 27389.28099 26912.4052 26901.50614 27348.61654 27796.38698 30070.15066 179.7802334 227.7059956 224.073753 220.4519637 279.3132888 310.4511438 PS(40:6)>PS(18:0_22:6)_feature3 1212166.275 1131812.421 1020653.688 1085126.328 880531.7225 1334030.787 1052350.449 1436329.301 1348613.635 961669.4907 883371.5029 1140688.097 956687.308 914845.989 1147165.845 979122.5495 983620.8544 969178.5482 629632.1572 870931.4794 1103892.432 750332.7856 668949.4387 332997.6681 442655.7589 880925.2501 942886.8219 47387.59164 1144510.054 855952.1558 772486.0956 992785.8008 835629.3282 1139119.367 810191.6073 1073911.253 1055350.236 864023.0104 807067.2472 1304831.147 1121769.343 1111932.111 1167128.735 1365548.243 1047342.46 1176728.803 747386.5444 980482.7864 1078769.755 1187604.618 493728.5976 536927.9482 611939.0831 632522.4626 974441.2694 953698.2438 963844.5672 967683.2994 945089.4204 974663.3419 962532.5807 965880.1522 242.3372539 243.1048245 229.9977203 268.438911 263.682554 269.6035127 PS(40:6)>PS(18:0_22:6)_feature2 555664.6534 455444.6019 450270.405 406611.5124 393445.3161 529185.1135 615889.5744 669937.0749 699180.7351 479473.5684 474871.9287 476730.8432 369841.1278 438452.221 531462.955 373667.0117 356452.4978 416941.6695 560045.3335 388731.7118 565070.0516 498682.3643 463834.3093 453481.5631 580301.5365 491517.2527 535807.0293 276439.9511 477778.7239 437886.473 449771.263 503437.5752 432846.232 456993.1586 386608.6412 453222.1325 528042.5279 448082.036 432896.0671 532577.9113 443181.6031 422984.5956 448830.0266 480638.471 442720.5682 516510.4907 348706.2026 424231.1937 475554.1106 465283.3418 478957.1748 505735.4573 451753.9119 488081.8317 501739.8324 467128.4887 472858.3279 484537.7661 451751.2202 469728.1787 489765.1505 489676.7998 218.5828048 200.719264 207.2619165 221.6222336 229.2491006 234.2575408 PS(40:5)>PS(18:0_22:5)_feature2 231265.876 213507.955 151197.6682 179492.4051 143180.8702 247403.1604 185131.7515 294052.5781 249034.7397 173728.4795 110652.7554 154451.6126 152056.4766 134761.8695 157381.282 153239.2993 125749.7783 128992.5206 82717.56703 111467.6173 222094.4916 125712.6147 122684.9176 54324.93896 76548.46691 112038.7783 127335.6496 4790.126306 169594.4192 114544.2588 125189.2229 176434.9993 133181.1477 190769.7651 125712.5487 181387.5431 155313.1216 122432.6665 116450.5192 225832.3005 148545.3639 157278.287 151827.4865 178546.1502 133691.7576 175147.7837 85079.40502 125809.8721 149549.3845 136151.2836 74911.6607 79897.29552 109199.9476 118139.6743 154045.6668 140151.3317 143236.1889 149752.5698 148049.8327 149504.1839 147702.2764 145514.1374 205.4906253 206.3826046 205.3814163 259.924615 252.0282001 250.4033509 PS(40:5)>PS(18:0_22:5)_feature5 40120.01213 41461.33334 35645.29268 41469.10905 30335.9131 57354.61554 36926.86022 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81475.02749 232520.1268 76123.5705 78486.87068 79575.36088 136329.6636 36953.78828 38408.58645 49058.48499 45550.83191 81532.8535 87817.7897 83922.2448 90794.70382 89489.11433 83700.44009 84510.02039 84412.50482 288.0017546 280.4433295 278.9306819 351.0830613 375.3695263 351.775392 PC(O-36:5)>PC(O-16:1/20:4)_M+H2CO2_feature5 122132.2299 83708.64052 72751.63773 78313.94902 72725.02208 85885.06379 137146.168 147868.3415 147438.4065 95021.27428 111503.9713 110029.9122 80963.4865 101192.0861 127665.0462 74434.04902 70097.12414 86865.98113 112840.7018 96129.07055 122625.574 102069.2112 96104.28694 86517.38966 122581.3948 121123.3785 142317.4002 77389.3889 118365.9855 81752.20598 95298.73514 109012.2564 86288.58667 96394.42675 82607.15719 97849.05701 109558.8642 109334.3826 95641.84521 115168.7453 108030.1158 102515.5077 123001.4823 131445.9812 104589.5758 170800.809 81399.52206 119714.2551 131631.169 131517.3657 102590.632 100280.1636 101846.0597 100249.9424 106153.8402 107059.2126 111358.7588 106041.2833 111513.7626 109975.0436 102474.4674 109401.4663 193.6576253 184.8967967 197.4773754 219.4550011 212.5095016 232.4732788 PC(O-34:1)>PC(O-18:1/16:0)_M+H2CO2_feature2 49079.57813 30255.76256 44653.21627 25632.1246 31348.76273 29510.76021 48500.06349 55747.14673 51758.14199 27140.17014 46733.54747 49280.72179 34220.57751 43468.12751 44578.06541 34602.49683 31826.01493 64528.675 41654.44596 39673.39405 43084.08537 40782.22794 51501.93407 31030.10194 48664.48992 41338.10595 84972.1009 36034.44391 65461.55774 35025.63189 31758.04892 35470.47047 28734.24988 33364.21219 38478.51709 34678.22764 50231.16757 27550.05605 33324.02722 43812.60316 34942.75593 76099.18212 43980.36131 64473.5135 52603.81377 200268.683 63922.27709 38129.62492 54611.77714 99087.23739 35282.4547 34228.73243 38773.3173 36806.27842 45582.15409 45250.08242 45240.72001 46666.99298 51315.3178 47124.92667 49948.68689 40691.01906 279.615699 312.0197899 298.8901515 327.7333746 335.8158739 332.7638915 PC(O-32:1)>PC(O-16:1/16:0)_M+H2CO2_feature2 89149.05467 65841.98833 60844.95123 54433.04277 50047.22994 69887.00533 90060.35439 105966.1557 96595.51852 71731.34063 61331.12285 64904.80327 61238.68826 69392.32291 77775.26129 49244.26278 46830.13021 55054.80615 68940.66273 51966.99226 85667.25712 63639.96889 63581.74497 66394.85706 79897.89167 60810.57676 68433.58135 29567.40425 62362.38176 52041.76472 59320.83931 73836.79268 61315.71164 62324.95295 54897.08247 64179.1157 66691.75482 66338.25186 55134.67109 76147.25122 65971.73118 56941.09349 66174.74149 70036.51823 66749.31708 69624.14237 41918.87125 55818.19127 62872.08329 63129.10556 51726.85868 50083.1687 54817.59201 53137.53336 63869.00704 65351.26993 62939.64557 66128.44225 69515.54782 64919.78604 64731.1951 63084.16403 246.0103879 265.6397974 279.6878136 277.6673984 271.0950088 303.4966348 PC(40:8)>PC(20:4_20:4) _M+H2CO2_feature1 300344.6164 238431.2349 268245.826 219091.7659 197616.9118 322617.9549 306262.4221 299386.4322 345866.699 253596.208 225179.3587 266678.2991 253816.7305 217457.3965 282443.0841 232633.28 237891.1914 212191.0763 217226.9656 295613.165 285130.1003 330071.4516 319727.0804 229311.6138 366210.9437 358527.5463 368424.4227 241143.4562 352838.7807 254711.6794 239151.3728 254067.1033 205720.2665 272940.7745 204413.9604 255129.7866 275552.6416 233745.7922 246211.0985 310275.477 248785.4948 214770.6024 280384.2558 289293.9218 225704.0337 369157.7344 206497.2188 234830.8817 241474.8121 279133.656 163300.9276 177174.4403 183636.148 189481.8276 270881.5356 263696.057 285323.1911 272588.601 275119.4232 272023.7482 271359.9156 270807.3173 184.6234425 184.1184925 196.4214825 205.9648088 189.6886564 186.502313 PC(40:7)>PC(18:2_22:5)_M+H2CO2_feature1 58859.28271 64008.67705 58558.13503 49936.48814 45775.09868 72695.76182 57124.81199 71785.59113 62009.35086 53367.86857 35933.07114 47941.45585 45133.36156 36024.49261 46883.70817 51043.01128 46522.30325 35633.53264 35774.0853 57742.24747 77891.33837 71729.55788 73800.38704 57117.75567 74459.01892 59711.79448 68561.28758 41790.42783 69707.18927 44403.28959 54303.19265 62829.47112 42946.69598 54729.84861 49702.00407 52683.22364 56453.07104 50134.50318 48547.39441 68983.4738 42765.32046 41639.66259 40710.52239 44764.73493 36416.48559 54920.86003 31552.55859 38551.38652 42316.11853 39380.07471 27790.74512 27385.36017 31226.64955 31550.3883 58726.89414 51062.13399 48491.48344 51388.06453 49194.41115 51398.97104 53625.77044 55309.11337 186.1554808 171.9477439 181.5896799 195.5048413 192.296818 187.3890694 PC(40:7)>PC(18:1_22:6) _M+H2CO2_feature3 259154.2064 238278.4454 216765.5763 190856.3386 169737.9653 256300.8391 251076.4897 280840.6989 289378.476 227714.344 252248.3346 259195.4207 228668.673 240362.9229 281560.2522 229724.8625 237767.1597 212770.4664 235906.3157 228353.8011 286508.2764 252134.1929 255342.4953 218395.4506 275261.7918 288318.9252 337081.089 147379.0455 290316.9845 265290.4476 220040.5635 226041.5592 204075.3775 240887.5862 204107.9288 230499.9589 240441.9972 217937.4209 210335.4685 282272.3232 265241.258 222933.1761 272856.5624 273294.0979 247045.5311 285208.3615 208336.3118 254427.3102 257214.5213 255267.4498 171676.5457 177124.4133 179082.2895 187291.5346 247243.0503 245115.1124 250347.6644 237254.8918 252474.6094 229683.666 247824.8943 251889.1624 234.8362906 241.4849234 197.9496434 245.1612922 227.7322057 232.2649505 PC(40:6)>PC(18:0_22:6) _M+H2CO2_feature3 993248.9939 955254.9108 1074017.701 824010.1786 797995.8898 1244463.534 917864.7302 979969.2432 1103535.751 845104.9339 753619.3633 793699.3735 826168.9808 685379.3155 894823.2379 832290.7231 928808.2092 738990.0906 829546.3947 1035884.538 912585.0697 1061095.72 1010401.737 818979.8404 1146363.23 1236395.235 1216026.27 819036.0274 1104780.682 926467.2159 815079.8045 844483.5984 738497.6246 847083.9796 742635.9223 868861.7059 950750.4814 838670.6481 853524.3247 1133074.513 881636.3492 706911.7292 845980.6268 961651.2477 780258.0734 1117223.602 677193.1671 802000.8612 922268.1057 890172.0219 484253.5191 502351.4725 591423.8558 542074.5731 926947.8678 932807.7904 990250.2289 922579.2561 905835.7627 938459.2505 945568.2359 943704.1387 221.2708746 246.2266211 224.8750449 263.8752891 256.1384624 272.8889341 PC(40:4)>PC(18:0_22:4)_M+H2CO2_feature2 53589.58776 55337.76391 64340.48856 57334.94432 48513.64887 68084.80711 46626.44788 50104.635 49159.78499 41756.46103 37427.07841 34614.95716 46405.19603 31425.79279 45730.69764 45427.61174 47368.78482 34473.06946 34607.16753 56855.92257 49200.09695 39068.70699 40707.72001 35986.33971 58705.03109 64075.31056 65632.42141 36996.5192 53155.25558 37821.21768 37798.98649 44665.81474 37485.62478 43581.96738 39707.04899 51856.84637 43521.17602 47699.55292 43730.64031 66868.30931 42921.48136 32932.57106 46390.8214 51874.07412 43020.36534 75982.50102 39096.8378 56443.5284 65235.40711 52932.81251 20691.56454 20823.12676 24958.65022 23739.19596 51532.73626 49033.53091 47374.67832 46459.24416 47667.40726 48906.4827 50044.97583 49734.3428 228.3026392 222.7752277 234.707155 249.6298087 271.7670703 267.7165337 PC(38:6)>PC(18:2_20:4)_M+H2CO2_feature1 638022.4075 538728.1662 561177.6886 494939.5956 466198.9927 624243.2535 624022.102 584199.4975 637828.3133 474592.1787 476967.6731 504255.7057 529185.9473 474623.0836 569369.3182 465930.11 466333.7953 381985.1026 391028.1736 601788.7228 560325.1527 655690.3722 630371.4918 456309.4565 693682.9432 659891.1295 655975.3262 478936.934 668214.1801 410511.1004 486969.0084 545091.0325 419686.8513 505484.4447 393159.5129 533187.119 546055.3285 505767.328 524882.8889 577041.7167 581973.0191 449454.1966 615892.1097 592017.6304 448375.7055 752525.6346 439761.2161 526065.9502 535991.183 574290.1922 425887.4391 422640.4651 432416.2169 493098.3722 532453.2238 572946.0089 540002.7274 526530.7237 555587.0956 528771.0999 545622.4243 554116.1583 190.7040502 185.0115878 189.592764 208.4556301 203.5985107 202.7535634 PC(38:6)>PC(16:0_22:6)_and_PC(18:0_20:6)_M+H2CO2_feature2 5785981.043 5271330.731 4898101.654 4413043.05 4052435.537 6214134.174 5924754.156 7191033.24 7088853.429 5804810.146 5075316.279 5586044.703 5225170.067 5297770.545 6044197.277 5071013.957 5326515.05 5194793.182 5402832.677 5263010.512 6778806.087 5849785.957 5606865.641 5749504.238 6746354.082 6199778.476 6650778.384 3401012.967 5941068.66 5717243.813 5212704.775 5586233.606 5270011.482 5570822.138 4649208.362 5653331.305 5345642.253 5218161.92 5036410.848 6553309.155 5856918.287 5158385.686 5591293.289 5928895.955 5498209.577 5973579.291 4330051.002 5225236.647 5397996.315 5474792.532 3285431.196 3524558.051 3366874.169 3557740.213 5845157.185 5456321.664 5369732.28 5826637.201 5772497.316 5394581.532 5608352.781 5712418.865 211.1299084 470.9880115 482.8495461 234.074903 232.6211117 530.5799181 PC(38:5)>PC(16:0_22:5)_and_PC(18:1_20:4)_M+H2CO2_feature3 2126767.74 2054611.772 1861118.37 1944243.167 1754866.737 2333053.515 1908991.452 2397663.199 2079072.677 1919519.48 1533534.168 1647208.642 1637199.186 1542173.74 1703042.333 1624187.131 1690275.875 1431060.812 1486729.663 1754060.076 2446158.324 2121792.98 2015763.167 1957055.606 2403748.946 1813063.904 1967877.158 1102194.78 1910819.764 1534597.887 1731916.789 1907749.375 1637805.856 1949842.577 1636852.697 1843744.846 1950473.638 1689648.995 1598996.986 2261332.768 1722114.889 1565302.846 1578404.667 1654678.572 1515820.024 1750986.886 1278352.554 1615695.766 1640301.909 1509742.824 1142057.892 1214762.677 1348690.834 1375268.695 1845426.872 1850937.266 1722834.886 1876073.091 1769527.371 1884913.565 1761319.421 1853074.386 218.7844439 223.5481173 226.5022411 266.7424426 265.0481914 245.7648882 PC(38:5)>PC(16:0_22:5)_M+H2CO2_feature5 195050.0851 175360.2371 170343.6954 171936.9453 143547.4029 194564.0584 190821.2452 218090.4963 197840.055 173082.0594 209033.6789 141162.7557 233364.0734 204694.6106 219723.5709 220555.0064 218484.8663 165749.4487 198898.1454 226143.0199 222426.882 197153.9953 157393.9655 179155.1527 224957.5287 277952.6782 272792.6013 138486.5482 233222.9013 196349.3927 156344.5048 170006.9889 151526.6965 184837.1692 150232.2454 184123.1441 165438.1626 188860.3224 164622.5054 237503.0065 242952.3036 188538.0416 244100.318 263501.7278 264636.018 275734.4151 226861.4183 252380.0795 289990.3503 261607.937 53894.28194 78893.39885 91705.62951 88992.08777 214558.721 208916.2802 202788.8028 232842.5899 207383.2292 211999.2304 209871.4064 213350.8723 221.6100752 219.4350474 222.2966423 263.3909411 244.6771945 249.37116 PC(38:4)>PC(18:0_20:4)_M+H2CO2_feature4 3548321.613 3837275.569 3988995.339 3847197.778 3603322.785 4512522.486 3600622.539 3559873.239 3856005.511 2942703.671 2291868.74 2653328.029 2774640.961 2314809.3 3311869.254 2748027.163 3023423.422 2438481.905 2563022.984 3645279.891 3234646.588 3553842.515 3504707.726 2945633.256 3858043.384 3990531.969 3822793.175 2752665.311 3368412.538 2581532.435 2931715.088 3210780.966 2619102.074 3064867.924 2739520.583 3194613.293 3436068.586 3091937.161 3312988.593 4119807.997 2979432.208 2489307.482 3150956.675 3371099.903 2707383.887 3738197.888 2545039.473 3119184.147 3428291.072 3078317.367 2221940.225 2088661.287 2515567.819 2504195.369 3352130.721 3285418.849 3256902.997 3244166.897 3382406.002 3367767.434 3413650.754 3189106.56 234.8115887 233.5093118 238.0330596 258.6525413 250.033311 258.6159916 PC(38:4)>PC(16:0_22:4)_M+H2CO2_feature3 245711.2534 248678.7417 198319.8334 211420.3473 171850.6759 252899.4517 217626.9493 267415.5948 235992.385 192217.9845 199927.7819 177316.6724 212499.8527 175240.807 214830.0331 214290.4814 198614.3853 147565.0626 174857.8808 206260.2661 265321.0709 177785.5298 137586.5353 185444.3318 264075.4758 219680.9821 273814.3714 120950.8468 229613.663 157241.3407 189550.2097 228709.3338 184110.2305 201345.8512 178208.4162 234929.1838 228897.5471 199740.4698 187368.123 322055.7884 232387.153 188835.2893 234657.73 242982.9491 213846.1774 258230.8847 170087.7836 241950.0849 245558.8429 231581.6751 91556.26657 107553.0122 113005.7404 124850.2922 210338.2464 224310.1198 231094.0847 201607.2797 218232.2551 211472.2341 228082.0965 214471.5969 213.7566698 207.6721885 210.3353954 252.7635255 249.0756482 240.7641468 PC(38:3)>PC(18:0_20:3)_M+H2CO2_feature3 110754.3979 115406.7536 120889.5881 110658.983 109657.1708 151159.7435 115383.5775 83156.75106 116419.7293 92460.06682 90067.1061 127728.6634 160603.0404 101049.2888 110967.6551 136488.3552 124799.5674 97712.65307 92168.91549 143285.8399 100742.8134 103075.9635 104011.6716 98201.30751 136525.595 130622.9647 145077.2362 99510.47611 150190.7816 111424.4509 76151.11186 88689.67029 66180.54026 81602.94605 83309.06509 77314.56952 79469.11163 77078.49852 84701.66406 87796.56049 109820.2727 88660.83244 103670.4544 108145.647 74566.80413 142725.6766 76202.54151 88231.53825 107913.9002 109348.2377 51608.1502 45087.80296 83001.04157 80395.53295 105148.9529 116514.3434 108433.3082 107706.3494 107611.167 110642.1571 110058.1118 109276.6129 227.4156046 279.2933053 260.3891846 271.4091693 294.391595 305.1217872 PC(37:4)>PC(17:0_20:4)_M+H2CO2_feature3 166129.9651 158021.6634 156384.4921 139642.9512 117251.2522 214905.923 145524.0346 185383.9244 166433.4004 120278.4708 113762.0086 110237.4121 119303.0967 103944.5435 128775.9203 120580.6852 122559.8547 97001.79289 99389.59296 137998.1106 169732.912 154072.856 134904.0322 116622.4799 162721.3244 144175.0501 148279.197 87251.25992 139934.1857 99713.57656 117505.2047 150771.5188 106778.292 136818.9566 100573.6268 139582.4464 142410.8904 103599.0874 122653.4132 158492.5126 125051.7092 108903.985 146878.4117 160342.8062 125110.0655 140685.8872 98427.73453 124972.0026 144392.0233 131477.2071 113352.8447 113538.591 114868.6973 126482.218 133089.1717 133069.128 135773.3863 130285.3349 136614.1082 131773.1847 135923.2897 131876.9038 209.070386 209.8029478 201.1831493 248.5994319 240.8117236 239.0246525 PC(36:5)>PC(16:1_20:4)_M+H2CO2_feature2 81661.44711 53340.85614 59826.02089 62287.67026 42070.76852 77021.39413 76551.37746 91576.66507 80332.37662 47754.27057 54942.81708 59606.35661 76692.55365 81279.44197 87796.25469 60574.37345 49664.2064 49686.36251 52200.63643 50463.49596 99396.91769 57875.20172 54653.56802 55488.79238 81519.89225 100375.9305 73067.95775 28447.65583 65691.63282 45102.00376 64316.89243 61481.64916 57216.06585 85080.11444 54969.44511 63454.46875 54611.13983 55090.7798 47909.24132 86561.19271 66831.24503 61214.42958 68148.52512 57688.097 68576.00519 72769.34861 46566.75924 61336.13592 61205.88077 57539.95538 41756.88437 44988.46836 43388.53816 58739.24032 61795.19856 62539.96313 61256.13863 71913.19752 58146.41557 60234.28188 67725.86376 60451.93871 188.7956268 178.2962651 183.0927126 212.4225781 230.0179919 216.7966539 PC(36:5)>PC(16:0_20:5)_M+H2CO2_feature3 240777.4981 207101.6303 181554.748 163923.7524 140015.1001 236227.6697 189590.3347 266535.5021 268943.0562 190426.7407 204057.9256 288676.8768 306780.3732 284354.2192 238517.3726 278624.6105 225995.3234 220621.0213 213528.4063 247286.4515 348185.6099 349285.418 244835.2383 261052.3829 325519.3744 291384.9938 319366.8966 142079.5836 327448.7318 219705.5894 181038.2008 172706.7695 146664.9506 197202.1181 140594.5302 169262.7043 168890.098 151690.6309 147463.6045 213331.0836 221171.0072 206276.3529 242559.325 212927.6538 193110.3574 237970.1226 142210.7582 145080.6691 188085.6429 194858.3374 137164.8581 134518.8373 139841.4767 146038.8792 222606.1876 220591.9655 232917.5078 219230.1332 226380.7355 219838.6028 216670.4296 230135.7576 197.4621425 182.5039462 192.8570454 206.8457063 214.9973709 209.6909048 PC(36:4)>PC(18:2/18:2)_M+H2CO2_feature2 466299.1467 448201.0832 470193.9802 448494.3157 389780.624 518611.9481 564163.4718 421347.579 463585.3419 331403.8551 363621.0188 474206.919 707996.9701 418636.9373 462365.4425 575313.0559 502293.4764 363754.063 310280.2704 541106.0448 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8323807.325 9698959.103 7971638.851 9441087.843 9636181.344 8543592.415 8129762.519 10942251.79 9391967.977 9394856.265 9594751.164 9926470.455 9422587.859 9911616.542 7584989.396 9140742.313 9621584.644 9170217.017 7223705.783 7149458.143 7512401.862 7488155.112 9182681.241 9577165.607 8953818.657 9375819.181 8760048.929 9955618.949 9180926.421 9133166.645 229.7258323 336.4992549 1056.395509 251.733989 929.645661 2067.485897 PC(36:3)>PC(18:1_18:2)_M+H2CO2_feature2 943068.4054 950177.7078 1007094.334 909056.675 855420.737 1036892.59 946916.3091 818838.1378 907290.7999 645767.3936 754449.2378 876908.1187 1153989.957 814741.7443 833684.9609 1059809.427 1040259.06 712659.9125 647910.3009 964751.2478 979254.8323 915681.9732 1008211.723 765680.2588 1121905.038 1015509.905 1018422.036 749699.1498 1061725.101 707491.8425 716766.3487 796685.4006 605551.5242 735103.2563 657769.2799 756540.1386 794110.3155 614216.4037 822106.776 824701.2907 935242.099 732085.7382 920492.9835 877353.4795 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356946.5635 372856.7596 373781.9691 371776.3179 369724.8855 204.5280749 205.5260964 208.1712318 217.9818467 219.6630561 240.2244162 PC(36:2)>PC(18:0_18:2)_M+H2CO2_feature3 2447884.118 2635609.992 2966932.538 2473259.824 2476119.653 3390181.367 2468741.762 2265635.133 2539485.516 1791210.551 1936614.661 2460735.591 3475878.057 2146748.895 2148820.595 2962821.723 2825844.696 1935153.295 1871707.061 2873080.174 2461768.962 2898654.708 2971532.847 2236620.412 3128983.96 3110539.891 3053917.454 2351471.869 3310095.636 2340705.663 1956932.011 2172667.131 1581113.416 1804227.585 1805102.542 2004606.749 1981366.14 1567277.982 2162273.476 2172424.111 2410945.034 2045683.151 2454091.202 2292500.462 1834677.653 3059039.353 1702100.062 2001712.402 2176197.474 2408704.251 1710553.243 1729787.066 2421352.618 2398145.035 2387545.005 2452057.39 2388958.596 2408035.178 2431438.511 2281919.694 2421485.807 2455427.52 229.7290826 223.7005789 222.4945348 276.4027381 298.0822491 277.8311942 PC(36:1)>PC(16:0_20:1)_and_PC(18:0_18:1)_M+H2CO2_feature1 667795.9885 653467.5449 754102.1926 643549.3038 632229.1907 810889.3531 655423.0283 643467.1342 669136.4067 506143.3069 470788.578 512340.092 657857.2193 442055.1941 540241.4962 581248.6866 623041.31 508161.4802 436102.9985 690285.1791 669495.1662 674278.6144 680126.2103 472241.0128 807789.5692 746012.0024 825065.6848 473430.9296 729582.0333 518319.6078 536306.1919 580808.1941 480527.8532 546198.3094 495857.8001 557354.991 647446.8969 478563.7225 557127.0951 753993.6767 554472.8408 600591.8989 560569.5912 651343.6765 553691.1741 1082335.741 492514.2674 523655.5121 632566.3256 733042.1783 340465.3735 338398.5454 432252.4746 419373.8396 623112.4563 626171.2922 593060.0972 622693.1943 611859.3625 604225.8822 623184.4715 621232.4239 331.298486 334.9959458 337.2403774 399.8344208 372.53883 351.3235696 PC(35:4)>PC(15:0_20:4)_M+H2CO2_feature2 58740.58631 61272.4598 54472.56676 50704.91965 43809.95389 66479.19441 53452.18451 75206.41202 59054.13842 44091.55791 38640.32309 37150.67779 42328.76827 39846.66198 52106.33276 42753.95431 42396.7986 31242.15144 32310.91038 46938.35723 72086.04982 64517.24066 49316.5678 46871.50902 60240.25885 46323.30659 51286.78015 21234.22862 49852.50312 34138.40811 45083.26482 53455.19321 42365.75594 51590.29626 37706.47443 50522.76214 53184.19634 38640.7033 42802.49584 62471.76159 43601.79014 34390.28177 50749.53013 57055.28901 44533.25299 48297.53598 34269.43093 41240.88683 50322.23509 42104.57318 39779.77596 38538.0497 41272.96069 41059.16401 47538.29517 49873.92963 46363.18659 50186.82526 46911.16669 49887.08697 47567.24793 48222.85102 192.8468332 183.7660141 195.6585362 196.5312764 186.159654 203.8880108 PC(35:2)>PC(17:0_18:2)_M+H2CO2_feature2 118837.8372 122966.7199 122674.8287 99953.12204 91894.21377 143052.937 103927.0795 120728.2245 109908.5803 74806.56312 90595.19344 113457.2728 153299.4212 99266.17595 95320.97903 146174.7476 122470.7108 82828.27139 71595.43769 117828.1707 127740.9147 113891.8328 112539.1507 84262.50371 124747.3836 114910.9206 117644.4566 70759.47837 134441.6923 89178.50267 75840.51651 88034.01439 63429.42006 67795.31516 61939.0777 83265.8717 77289.69934 49865.91587 81687.46501 87819.23541 106511.7019 89898.27655 121779.5663 98834.00716 82144.85866 107788.179 68262.65852 82609.28223 88060.32874 99621.13432 85741.25925 94528.25558 105584.7777 118150.0102 100428.7194 103631.7595 104068.5841 97636.15643 97006.91659 98086.42025 104536.6197 102665.6898 210.0225065 205.0524966 206.6670753 248.1303655 244.4987671 241.637217 PC(34:4)>PC(14:0_20:4)_M+H2CO2_feature2 28434.90519 29123.99738 27710.46912 26541.55883 22685.2941 42411.38716 22470.04284 40245.61383 32912.74916 22512.74412 23845.32549 22805.28174 29761.12657 28927.14355 29540.29955 29197.20108 24488.82569 22837.24064 22993.16788 27045.62505 40034.88665 33150.74958 23973.58139 25587.39565 33995.90857 32585.15004 34641.73305 12564.21911 31635.70261 22534.77448 22959.48974 22148.58545 19040.84454 28692.40986 19547.23103 25606.92226 27394.52868 18200.33968 19307.28704 33765.01186 29713.18463 17201.99397 27631.37269 28806.07791 24735.4042 32465.36588 17893.08754 21889.24261 31252.25776 21722.55023 16669.9634 17103.49495 17647.52866 18464.5231 27691.28405 27886.56467 26709.97639 26137.89675 27034.51957 27899.65637 27251.76007 27486.54574 177.6599547 180.6232137 192.7377231 204.6791668 188.3702125 194.5153058 PC(34:3)>PC(16:1_18:2)_M+H2CO2_feature1 64115.21215 21530.93059 62119.80318 51957.0489 48467.58806 53077.61358 64545.93701 55184.05181 46164.86982 37395.35837 36845.11378 78614.50602 97602.82055 86356.82017 78837.04555 69347.77246 35875.41956 59888.73123 45950.44778 68656.4973 76142.00154 52692.91928 73899.64005 55302.87078 66963.87416 63231.1015 61937.32557 40908.41862 82173.66033 50681.93574 48939.18276 51175.43666 43568.22339 37832.79924 50181.43891 59187.72922 48350.7696 39736.12112 31743.60806 46951.66306 45122.31534 52683.83896 67709.11251 44135.05197 51864.45338 82271.91605 41129.2065 56298.6523 42363.14063 50725.78842 46894.66255 47584.01633 64188.32871 76012.12522 63276.48964 64586.15788 58283.89896 60270.44505 61582.73369 62112.14685 65345.112 60939.2205 207.9524383 202.0019463 207.268283 249.6652191 243.7906672 247.5814869 PC(34:3)>PC(16:0_18:3)_M+H2CO2_feature3 32211.68405 36393.38346 26745.17198 31767.53652 30004.92435 43693.75078 29621.32215 39447.4709 35594.82462 26165.45471 54331.74496 69055.53973 111359.4597 47919.7937 41753.99546 98461.35151 67441.37607 33761.38089 39106.53833 63598.03853 39996.47904 34759.5404 30540.52164 30497.36082 41802.67839 56378.95676 74091.34467 34171.35364 82203.63964 54041.55892 24472.47142 24026.87081 16059.13316 25150.94186 23460.79162 23667.82816 23639.89844 19607.36014 23995.78125 26879.1318 69070.42128 46897.31271 71157.35274 52505.40911 51017.82744 55086.85749 33353.17617 43014.15605 45214.71838 59697.928 19720.69051 23741.77735 25370.5845 28738.80599 43765.28805 42923.34078 35013.44373 33149.87269 32797.73602 34323.38426 34508.11006 51041.68999 171.2196884 172.5989785 170.78635 218.8416528 228.0005006 221.5926077 PC(34:2)>PC(16:0_18:2)_M+H2CO2_feature1 7106576.092 6621729.917 6695651.459 6350405.713 5850592.045 7446242.632 6921475.625 7356604.391 7283189.379 5298152.643 6514792.091 8108977.734 9054767.205 7012349.697 6922826.939 8448077.983 7308252.301 6396623.782 6126143.449 6751968.002 7970940.103 6544743.451 6567590.241 6243705.773 8044202.431 6758437.891 7653520.995 4723309.341 8291646.683 6273353.912 5272701.64 6097751.012 4924172.014 5203900.51 4713913.687 5732795.466 5583086.057 4449643.973 5301656.207 5918640.006 7336232.602 6793454.062 7082226.815 6386737.643 6031105.38 6957539.757 4989910.232 5718211.883 5898695.399 6537074.292 5065031.146 5487339.118 5855451.26 6163365.359 6814568.288 6449033.291 6428110.718 6844620.593 6332022.252 6384080.297 6542534.95 6821043.973 229.1830211 298.6857022 789.438996 234.8285212 862.6721896 2016.033218 PC(34:1)>PC(16:0_18:1)_M+H2CO2_feature2 4323035.033 3924494.546 4064202.651 3749099.459 3768983.805 4786346.49 4447741.519 4522228.626 4537110.119 3531610.549 3470368.503 3898218.346 4193796.532 3781219.253 4141520.753 3992642.371 4231980.55 3699830.883 3597001.234 4027534.627 4994359.81 3900669.914 4026671.752 4180836.574 4836805.309 4409420.838 5197027.418 2549399.772 4383324.668 3439967.916 3529979.339 4253221.29 3684929.502 3798022.869 3583373.431 4258112.541 3756874.985 3675980.537 3655311.854 4835616.523 4110301.838 4140071.047 4026047.056 4242552.821 4209642.174 5837300.585 3271646.371 3553419.289 4138878.137 4341775.99 2377025.756 2237185.364 2900931.917 2713398.712 4120412.634 4090705.249 4053168.612 4126737.595 4181682.793 4168787.133 4196690.693 3986511.674 295.805735 421.9936318 337.8920636 330.6448286 333.520793 932.6743577 PC(34:0)>PC(16:0_18:0) M+ H2CO2_feature3 201516.1747 181303.4377 181790.37 157852.465 143242.7857 198879.733 182949.4939 233025.7111 214690.789 156217.6196 157519.4536 138869.1364 153576.8532 139085.0186 169343.4688 134737.2162 145246.2167 136540.1716 147630.9786 146172.5784 188083.2941 182537.6618 163445.8899 149080.8584 222262.8598 183640.8629 215862.0948 103620.0248 174562.5093 142840.2826 152521.2043 184905.0775 150945.1349 161464.6142 140728.3634 161294.3131 181401.3874 150786.2809 137434.5908 202163.0351 149822.1792 152409.2583 155737.9418 186207.4809 157384.2319 210383.9383 107691.601 154866.3804 163603.367 172165.6792 118791.6695 117226.0737 119241.297 113620.2929 170875.8277 172829.123 164328.2324 167661.6695 167408.8963 168532.3263 173696.4309 168368.4861 232.1636639 248.0093682 237.9290918 257.5722802 266.1600003 260.5485624 PC(32:1)>PC(14:0_18:1)_and_PC(16:0_16:1) M+ H2CO2_feature2 199386.9688 140976.6003 200028.8936 109744.3109 119276.0406 140100.792 219322.9827 196265.0776 207393.2183 176788.6248 182501.9602 267516.1436 278334.0562 219139.3328 206753.8861 194669.6371 179941.318 237355.3283 179068.747 151765.6963 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768679.1641 769108.1048 696470.1055 846428.0808 846277.3944 860806.3728 702166.8027 974742.7316 730903.8523 805796.3255 767619.5933 888079.4394 789604.6059 1162920.073 624295.4632 760226.3552 776824.0818 864782.935 514143.2375 506828.1957 540909.7754 516189.1783 823451.939 797631.7192 813551.277 791610.1904 806491.805 801752.2405 797854.3687 824726.055 228.4213394 254.1240612 243.1347334 247.5634594 269.2679655 266.6583456 PC(30:0)>PC(14:0_16:0)_M+H2CO2_feature1 84026.37465 72445.2362 66900.05433 65753.44138 64016.9028 81833.7664 67012.68384 90209.12461 80645.0893 61031.82134 70781.93327 64802.25931 81432.04607 77475.12138 75643.61782 70550.04432 65934.84084 83518.51865 65418.01048 62804.73875 87338.25991 75564.95451 74522.28504 70381.67518 83221.11272 66359.14577 91902.02606 34039.94638 75916.78837 76623.22946 70057.5555 62146.01426 66500.94048 74859.46015 63959.93232 78057.86706 67330.49527 63351.90193 64878.72977 78322.15761 81352.20903 72063.33559 68382.17621 70595.26973 74809.22885 140490.649 65773.80528 63108.70448 77675.08031 74916.07474 44687.76975 49027.71437 53763.41028 51624.12197 78771.18921 67993.84571 74056.88876 65590.11806 80155.98279 67573.09476 78437.74204 71469.18363 212.9217292 218.9860741 176.0125762 224.6225693 205.9301199 214.0766648 LPE(O-15:0)_feature1 33602.97682 31474.81644 31630.32012 33416.97744 32337.80542 31398.49919 32474.39763 32746.07348 30101.4894 32148.24861 31162.51869 32267.51669 29712.19143 30920.78026 31032.5735 32627.62755 31797.70928 32353.86707 32481.49473 32949.57746 32313.10175 32077.05928 29970.35368 31263.2141 29710.39737 33253.11096 30840.99835 28545.83889 32911.72644 30869.78188 32847.30883 32494.81671 34074.2742 31987.53108 30291.53553 31084.48828 32402.29783 35574.18458 31546.70027 33487.44972 33180.01066 32622.67755 33098.109 32992.14538 33726.55164 33550.85708 33568.57923 30180.10542 32346.55914 31328.34585 32596.523 30573.28073 31727.16943 31821.42248 33307.16163 33095.83961 32233.27904 30899.72717 31073.51499 33196.65917 31949.89341 33556.54565 145.82604 170.2605985 151.3488897 147.2414507 151.345263 152.543191 LPC(18:0/0:0)_and_LPC(0:0/18:0)_M+H2CO2_feature1and2 413947.1562 458819.5518 365539.1406 380403.543 363064.3318 472195.9769 420275.8217 498074.1683 507620.2217 346365.1729 395000.1501 485878.7238 441487.1124 403151.8021 510116.3312 429690.1215 384099.4177 384550.3324 404432.359 482029.1733 492644.5861 446013.8963 358232.2003 384552.8058 515711.0264 506746.6955 580325.1332 298342.5175 538277.6004 361964.0228 333393.8165 399179.6363 313295.062 384632.1953 340733.9054 376054.0532 387016.1432 369016.6817 332428.1468 451561.7716 422094.516 398060.1131 428980.9065 547201.055 408921.1944 643118.714 309024.6294 439807.8961 488443.3603 495622.6468 216298.2166 212129.3278 247343.2622 242142.4261 417974.8177 448683.9171 438899.1075 413456.8623 424779.9156 463224.8096 416156.9012 430662.2742 142.8005275 131.5604963 143.3248132 141.1993957 144.4924513 328.9563898 LPC(16:0)>LPC(16:0/0:0)_and_LPC(0:0/16:0)_M+H2CO2_feature1and2 331365.2849 327216.6039 343170.9464 294281.8872 299785.4181 403226.9777 346994.7387 388382.3097 394749.3782 253668.3412 232609.2338 239701.6833 291872.9375 256521.2671 256541.6664 282392.2227 248105.7041 242957.4943 249591.3135 272286.2081 423288.5623 354299.1607 240995.4917 267627.6009 378419.4512 292526.3247 336949.731 176673.6895 341631.0037 228988.0852 242603.3305 286882.3207 228181.4369 287558.5177 244790.7191 264212.6709 287919.3503 254950.7899 223349.9302 333667.8073 240820.5742 239379.8783 236502.9183 291247.3652 249987.8813 363328.429 179789.8199 215800.2258 268304.7085 269441.4961 190669.9059 172800.1891 212510.0405 207121.1959 287947.772 304980.5496 290342.6891 286316.9862 283792.6095 282777.9573 286434.7635 304843.8171 185.5725558 388.5827552 410.8562739 264.1905343 647.8921055 1257.341363 HexCer(d42:2) M+ H2CO2_feature3 22670.7627 8774.796574 37019.16062 4599.5715 20433.43543 10971.00609 34442.87621 18007.61397 24434.34328 5241.507284 32776.40626 32589.19828 9172.506646 17254.86675 15074.46488 20267.24818 11137.05457 101927.2383 22194.26501 13766.78923 18512.08796 41846.92786 76480.83676 5418.577479 31304.13245 15323.21008 135315.5142 31129.56447 88099.78073 30744.01286 25148.49102 11340.28827 19450.27539 14460.17878 26914.5696 34317.90597 67403.44024 9453.76347 30390.84329 13142.19513 7956.183621 159534.7812 7037.017626 87834.82636 55735.67039 461400.3643 84581.37126 11010.20371 20063.32403 175148.2266 30668.5136 31513.35335 28342.49527 28429.59389 47390.1654 43892.92042 42953.2489 43622.38114 44612.20115 46130.61104 43119.99894 46264.32805 140.0516836 156.2742118 143.7527548 147.835292 172.1520145 213.9314353 HexCer(d42:1) M+ H2CO2_feature2 25029.6411 10673.83662 79606.94532 9048.013928 32483.67327 21703.45839 63854.76679 43067.34332 42647.06649 10747.45204 51356.73835 59092.60072 11311.93125 30179.16969 20863.11566 40502.01306 14226.31501 118835.4429 29446.51572 21915.26471 36488.74348 83549.38183 125486.3726 10447.11379 62283.11743 28854.40881 122186.2605 35973.03152 150676.0671 58768.0738 42288.34847 17072.17767 25533.51873 37920.04255 46849.70389 68822.59431 102944.3688 11788.42407 43168.86302 17415.95778 11566.73508 200620.5921 11458.87455 130327.1005 107199.819 523548.6526 129472.4605 17515.80024 48259.6939 168153.3152 58200.35204 59304.51623 51896.43079 52098.74425 71216.015 65988.30595 69259.82439 66987.9269 63392.22044 66197.07413 68424.68501 71333.29567 140.877906 148.5277151 144.4088572 168.0164837 175.7313443 174.2952935 HexCer(d41:1-OH)_M+H2CO2_feature2 14279.9768 5876.764399 23939.38269 5703.672072 11010.04674 9968.109615 20399.71345 18659.00036 19008.4025 8424.699614 20010.38687 22567.55534 10127.47189 17732.08456 18543.62614 20271.01742 9819.662241 32996.84259 12948.15203 17540.68425 15317.14768 19245.25901 29260.75627 9416.335253 23713.98081 25129.52339 50190.16486 22966.54209 33022.6119 25271.55384 13110.64206 9400.966355 15519.01328 8311.450775 9689.557233 17768.30606 24444.97609 8873.868303 14404.2793 9909.98608 13189.6916 35335.13567 14422.418 39357.30388 35320.51701 150586.2865 27856.33223 20689.76223 23853.12316 56047.70057 10712.05921 11835.47023 23828.92703 25291.88371 22550.82534 21267.66516 22989.1445 21508.1451 21526.35152 21566.65822 20990.6789 23403.82465 133.9849203 231.2437064 236.355541 156.781523 265.798019 261.238104 HexCer(d40:1-OH)>HexCer(d18:1/22:0-OH)_feature2 45064.94833 19905.13583 78089.32985 15523.91495 32810.41541 30838.1882 72570.86263 49958.89208 59669.63355 20503.53837 71268.36659 65854.20156 30237.41312 51516.24655 50012.48129 62681.62516 29768.27501 122200.2057 37021.87487 48991.15681 44624.59356 78887.94948 122086.8648 20200.3211 69979.56742 57554.94863 179674.9555 59576.72366 147787.7391 85027.45071 44191.79107 31019.21093 47708.96641 30767.63716 36203.86333 75398.1914 95645.64037 26616.24619 53335.1978 33992.80022 33547.68811 167958.6895 29465.85225 156237.9703 120198.2343 534762.7317 108663.593 50537.92432 59426.57269 199035.561 42314.46709 48313.06752 70412.09831 70763.53772 77831.34518 77856.55217 73800.77349 71153.51087 74618.63361 69474.92401 78787.2551 78922.46222 471.122637 507.1008714 564.164249 598.8050121 599.3106054 632.0208265 HexCer(d40:1)_M+H2CO2_feature2 13789.65454 5662.153291 24720.64282 2512.847432 11020.31896 8897.472871 25375.14408 14717.09677 15431.24008 4313.904027 20394.8668 19116.46915 5455.859158 10050.75937 9748.097415 12979.39934 6887.209463 47784.00156 10511.41218 12429.85287 13505.16321 28999.89894 47940.7503 2984.454564 20879.16737 12614.56173 55004.27966 14697.91568 56299.9373 25406.43693 16089.53112 8500.377114 12987.12735 9309.657015 14059.95803 24484.85986 39047.9521 7753.736168 18187.84216 10822.03487 6653.576144 76500.67002 3757.441269 62118.31662 39414.60481 219210.1546 48397.49373 10474.2131 11690.30071 72309.09886 18760.93691 18420.43862 19971.75391 19850.99616 24648.14553 27079.10871 24045.28974 25211.45479 24030.77296 25424.30648 24578.6096 26112.01641 145.0824144 229.5013426 159.1029643 140.6714846 238.6331621 172.4878332 Hex2Cer(d40:3) 16902.73054 6119.877253 28105.74205 4786.332633 13151.21308 10452.89379 25992.86187 17583.08273 20583.31963 6894.844048 24445.88198 26519.67318 9357.901767 18295.21295 19831.55549 21572.639 11524.16966 42703.87249 13596.31507 17791.58615 15824.63415 26120.49977 43640.39793 7369.945791 23684.32017 24157.2732 54792.83841 22639.53926 47341.81853 27492.28502 17056.75602 10481.73162 18016.92525 11203.61465 15150.37627 26671.56524 37245.32902 8973.387605 17718.61085 10198.78565 11448.65992 52336.25165 9255.739713 47021.15299 44975.33571 169861.6449 45357.57047 18923.06572 21434.54109 60640.11587 17731.45321 16845.16297 27465.34826 26907.70517 27461.44945 27640.32778 24986.44999 25034.48934 26518.09083 26043.33783 26618.90795 27647.19913 139.8535776 143.2517548 149.7867941 170.3681337 176.224601 183.0300366 CL(72:7)_feature1 81003.55717 86046.17992 69696.98719 78586.56325 66423.21344 99127.65364 78803.26 84109.98688 85870.61385 61012.87467 37026.10788 52920.72544 58068.97001 42680.96826 47532.21505 50624.27582 57092.05222 53147.52081 37492.29525 3550.094707 74927.08703 71032.73763 80268.04585 49508.22953 75429.22281 66743.17667 74106.60369 14496.12001 61105.26111 43934.99028 44916.33537 69741.36704 46259.38969 72505.76729 49864.05329 65923.77674 72632.89953 60703.8401 66787.78287 96426.91371 59500.93877 52183.95612 63285.15863 65170.83367 63467.94824 87809.4343 45774.62471 52648.62005 74761.01708 56409.63418 22343.31156 20002.83123 35739.0002 29945.44321 62280.94404 47350.3851 59760.10416 67002.48931 70405.80334 53649.83222 56608.45966 58089.31486 242.2973839 251.0320661 251.0937402 198.4729813 207.5666696 208.5532421 CL(70:7)_feature1 28997.2232 25149.43409 18866.99691 18819.42693 19089.54093 26493.65553 31004.58218 31757.52935 33634.30972 25213.42669 18773.80295 29065.49336 30563.15417 21884.38246 26289.68826 24403.34287 21253.95102 24041.95764 19991.46901 22162.33891 34015.70728 24744.44393 25656.80214 20923.78754 28683.82822 30531.79407 35537.00631 7415.342292 28024.74593 21293.65071 20293.23172 23666.8821 17711.87971 31613.39421 23894.59632 25243.13972 27323.12518 23887.74908 21484.54324 32410.76806 23431.81739 24541.76362 24654.90301 29147.91444 22587.09387 33928.12539 16483.29209 20777.7994 26750.2566 25608.77871 7902.22226 7242.589242 14821.52913 14380.45517 26040.54985 26303.75429 25815.57493 27298.1827 27813.28682 26121.47434 24895.48201 26903.22654 211.6804132 214.9291638 214.7163033 182.2898171 210.36315 211.6819359 Cer(d42:2)_M+H2CO2_feature4 109844.0556 100667.9392 111283.9805 93029.76539 99481.27519 134180.7532 92527.24618 109350.5045 101031.2605 68065.25336 79980.29501 88762.66383 101573.3629 81362.17357 90591.59511 81363.4856 80377.79193 74996.84743 72050.00648 81996.9973 119069.7697 95798.08021 96734.27481 82438.75799 132013.2504 108783.7008 113855.1824 58217.11208 113989.3896 69856.36374 66738.71052 85099.4088 64287.70544 71870.86837 68939.72347 75848.91184 82033.24357 71825.53887 65710.04886 108383.9629 87661.34346 83955.09275 98620.55269 89145.58591 87951.1929 166627.7432 62972.00118 78737.61767 93928.37221 85769.99761 65598.78134 54551.54192 63147.52172 61137.7499 92239.0441 93896.28788 105916.6524 92909.27118 95942.7427 83732.7226 100276.5123 97122.09768 157.311975 147.1567353 149.0715843 157.9329667 175.361995 189.3642703 Cer(d42:1)_M+H2CO2_feature3 237885.6191 225394.4018 256797.1086 196150.6943 188541.7285 269327.9613 234840.1343 248103.0252 262434.1765 168356.3524 152584.4061 184110.3908 247456.7785 165380.3796 204969.8695 199220.6297 208239.0165 154026.9061 161698.4029 223556.6011 256842.2784 245466.0995 221416.6968 186673.8331 301034.9856 285997.1295 270762.1772 146375.8178 255069.8308 172439.4754 172885.2907 212723.3634 154197.1799 195158.7096 176423.3181 201150.6773 207764.2719 165767.4931 200352.0145 268055.5597 218972.7953 168327.5144 203791.852 223034.883 189065.1407 301935.8768 135305.8187 193683.8054 235310.2424 192508.6119 109625.5373 106652.7848 151736.691 149695.2033 203353.157 200286.3421 206780.9497 197752.6638 200329.1255 200296.1201 205965.0803 201636.7105 183.7196896 184.765125 196.4744593 187.8258243 197.3266325 185.1542699 Cer(d41:1)_M+H2CO2_feature1 65469.37945 57527.58365 68189.49312 46596.94702 51432.68616 82143.88045 50008.4048 63692.03092 57613.01483 41614.26374 44189.55665 55498.50606 72682.05799 49992.86779 58489.1462 54743.93655 59978.77061 43931.40597 42374.30828 74912.34925 70859.7393 56116.20547 52017.18567 44458.90218 73623.30823 79547.66345 73750.21042 41419.43888 74263.98212 49540.17888 40965.11335 49640.57459 35106.0967 44777.06633 36264.28887 50995.82174 46596.10732 40062.79607 46096.82864 59859.22377 58087.25562 49534.91271 64571.82422 67182.11881 50060.6343 74122.91498 41127.55218 59087.43215 64815.6122 56990.11037 28708.54958 27131.30645 36855.16896 39344.30279 56577.85631 54282.96022 54651.669 54241.82991 53254.57071 56945.53714 53549.28758 56207.37743 151.4520225 161.8199104 161.3123962 169.5151452 171.934237 183.1974132 Cer(d38:1)_M+H2CO2_feature1 18582.35787 14146.48823 17469.36908 14490.28349 15923.18432 17219.01598 23405.26637 17431.71689 23227.89625 13614.67078 14309.86455 16825.21067 16730.65625 14295.62564 16590.89222 12769.19533 11840.27421 15381.21979 13069.96511 18779.68185 17592.87947 19779.88233 20165.86135 12243.63525 20918.13209 21160.78858 23994.44933 14858.39875 25616.60734 13390.06886 16063.31814 16519.34501 11950.71023 14441.18838 12886.6994 14936.48135 15404.70838 12173.36362 18774.46456 18579.06631 19221.02306 16477.45674 16862.06712 21048.15385 13707.718 32473.69494 12423.03149 16425.31328 17175.99994 18149.9832 9754.550894 9350.2848 14505.35102 13944.23278 18757.531 16119.60057 16718.78144 16211.69602 16913.55819 16303.01579 17414.94801 17891.36822 139.5058636 151.2472517 161.7479532 159.9142922 184.4335788 232.0435074 Cer(d36:2)_M+H2CO2_feature1 87445.8727 74818.81615 44448.10846 51211.03739 38892.40208 67780.4377 58868.49045 96298.4527 80849.20501 57049.13081 60010.66655 78249.31699 71544.32434 85190.72545 64872.6197 68856.57091 59240.60467 56426.90885 63034.7959 53910.63416 106053.5664 51438.91586 54626.22217 64744.2706 95028.71269 72749.08399 84837.80046 28504.42679 85151.48464 53006.52547 48661.3988 68906.48939 47491.59705 64636.42098 38668.13725 61875.52459 57651.23664 40159.46195 39766.60793 81017.28934 60258.09911 51671.66421 64902.87514 72763.12632 59077.67497 72248.27216 36598.88972 53454.66023 55825.43408 58160.0501 51691.95884 46426.48167 48791.09656 43719.03093 61525.57818 68390.08451 58262.06202 62680.15106 57718.46752 52720.10821 65720.05088 66504.03168 207.3387893 201.7026626 199.2178488 231.5250189 214.4270632 233.3276859 Cer(d34:1)_M+H2CO2_feature1 71691.03383 53320.01099 50087.8923 47003.19964 46213.10691 49415.14405 54809.39984 77157.5631 67407.3825 46228.74044 53384.1665 58300.29793 36144.35088 51896.84477 58240.75767 50065.44791 43532.15148 44330.54424 41828.00945 42136.09629 73063.0945 56212.289 50454.08524 51021.14277 64567.65646 55157.02567 65251.15221 25181.85739 65436.27211 40708.32704 43078.59581 55174.17008 38256.08812 50033.27139 43852.6074 55363.19993 45186.33823 46085.44932 40451.41096 65670.42403 54435.75006 62166.13913 53417.99059 50357.20531 55802.97431 66122.68834 32737.71694 56864.28101 50536.72431 48106.24091 44552.55502 46804.0866 45362.32338 48364.43838 53917.90686 52384.69826 51846.59184 52960.1801 51658.29066 54104.26617 53221.62244 52452.06555 735.0382256 725.4968019 699.8025724 1145.32682 769.4942337 692.6998491 New_PI(38:4)>PI(18:0_20:4) 3452857.602 3249552.457 2565315.999 2908538.708 2348713.948 3590827.749 2784291.891 4119373.258 3305328.569 2605917.594 2206203.892 3138425.626 2647719.502 2417268.594 2623446.885 2416463.389 2559021.843 2452708.2 2457737.495 2786849.121 3490487.065 2663785.369 2034279.508 1959460.022 2877095.664 2682526.77 3051925.662 461622.8614 2870727.897 1977790.478 1910442.698 2531274.825 1966850.557 3264796.668 1891206.454 2687178.86 2725778.862 2316206.682 2055114.677 3257263.88 2603639.491 3170530.387 3143027.006 4024344.689 2605858.441 2990693.522 1833711.694 2505281.578 2624681.906 2852711.396 1143035.844 1120292.065 1532231.56 1594455.012 2817417.201 2684069.424 2732053.517 2630590.527 2540390.093 2652596.813 2740423.498 2821851.131 342.4817419 337.7108463 333.4287431 435.5195408 404.9576012 413.1164945 New_PE(O-40:7) 28491.58719 31669.34146 32428.61938 31768.4479 22128.72099 39471.72392 30768.73188 30524.45002 29846.37007 18700.00314 18129.44073 23342.04664 36243.55692 20075.62989 26593.3362 28618.46424 25643.02615 16099.18627 18069.33742 30100.13073 33768.15807 28965.66124 30065.70719 22763.8801 34509.98924 26022.55743 27413.34554 15508.45354 29165.6259 19429.63427 21451.15204 26497.32085 14568.87414 19919.10512 19154.92756 22578.84763 26374.25265 20059.41453 16974.62114 29833.83867 22459.00878 19010.54428 22454.75002 26899.02609 20082.96121 29850.35455 16441.47584 14337.49461 22369.18062 23355.28799 13807.61677 10936.58007 19035.67231 16612.37079 24789.35679 28612.5054 23731.39192 24993.49714 28596.564 22956.21239 25326.54683 27068.40773 182.8801264 179.2966151 185.5972909 221.4000992 203.7920365 212.172213 New_PE(O-39:7)>PE(O-21:7/18:0)_and_PE(O-17:1/22:6) 68376.96597 70860.23575 64605.03697 54837.93502 78901.34804 108379.3343 121147.1469 115650.3869 72293.62453 54889.09999 38802.61496 68031.63548 73336.0535 61625.23454 52646.70093 48518.00946 75805.787 55862.12338 62480.63904 42522.1669 116630.2685 65347.29936 92492.43366 55893.36893 83446.8576 71241.11179 55907.13441 35115.64692 73375.96934 37294.3571 86777.29849 72349.41432 47379.19693 59992.74509 79201.81236 61135.91004 96447.03414 47130.04439 54808.52263 67845.47815 70073.58703 65334.11802 65885.59277 46472.7627 71738.75841 69143.94655 46924.65335 58924.89489 63793.18099 57959.79838 74109.88406 74151.58133 88560.88994 83505.1268 54609.55044 88815.01259 51215.5851 80418.51957 86476.89694 77436.25605 75840.82257 53723.91404 256.1943858 284.7809108 272.2352821 266.3824423 289.651415 297.3962791 New_PC(40:5)>PC(20:1_20:4) _M+H2CO2 310058.6658 362090.4479 342955.011 313077.9198 303844.3337 439223.6059 275628.6312 291139.4841 304830.9407 260385.9805 187773.5895 201327.9783 241127.8453 178104.9475 193021.6949 236440.7343 264107.9448 184109.3263 210706.9935 303927.8969 324085.2245 344214.673 335963.7621 283915.5208 364316.075 328509.2667 299664.7437 218415.4221 273269.3679 220016.0685 222241.543 267766.0676 211653.1003 260415.4457 236123.2077 278690.0796 287239.7246 246510.5101 226046.6922 343285.1764 201714.4419 182579.6653 217058.8041 239546.4857 188936.6944 265834.284 161683.6119 193286.3667 226928.0699 202837.3449 128569.6761 129083.3971 169141.2379 159863.3337 276287.1503 276813.5703 259849.9967 262030.4854 263737.6996 266299.4135 279220.3708 270987.1596 273.4820571 255.7790607 247.0867071 279.7292544 277.1217162 297.6992311 New_CL(76:12) 51270.98936 64408.93276 47942.9843 55512.81772 41979.69044 81932.22835 50695.09325 68760.81256 61045.74796 52094.2109 30882.65227 32521.75938 40566.83639 31372.78776 37778.25498 39253.03857 41874.55085 32708.54704 26323.74351 45584.63308 58712.68067 66165.234 39817.04323 41355.10463 56496.33056 54717.64785 58849.59009 12434.26446 49945.69509 38783.85914 39523.47876 51679.93939 49332.46338 79486.96594 47893.61906 62735.18328 55658.72042 60696.68522 49340.03476 105872.3052 43901.35173 33108.96676 41399.99518 56413.74472 44626.78756 54811.11973 32934.48743 39779.8192 60797.84674 43235.05043 14910.02448 14567.81663 20957.30725 22530.81409 50158.34594 54489.0105 52079.60097 52013.19328 53303.41902 56148.18876 51961.01984 50299.52787 204.7028869 204.137124 216.8730294 190.9411562 213.5117905 220.6913225 New_CL(74:9) 25449.77153 32000.76412 25439.30209 31536.93579 23029.303 37537.38805 24341.52087 34129.35384 35499.48948 25174.84301 18959.56112 27178.06778 27297.68801 19818.80421 29220.16285 30405.09467 16189.60048 21057.76522 19962.39766 31002.4746 30618.79344 24558.19538 22144.57886 18545.16824 24226.44067 32776.15933 31514.57478 8953.648935 34063.38024 22144.46983 20974.04417 26345.52094 19113.59046 19977.87331 21643.71994 24566.25552 31365.92356 29497.49249 23612.72374 35242.89392 24125.38167 26581.36802 27465.09506 21323.31014 23313.60396 24381.31738 19257.16897 24158.3321 32377.18182 30288.60828 7630.309225 9242.584407 13400.68501 14473.40978 28731.93449 28664.15583 25685.04878 27231.10103 26077.98603 25571.26573 29321.27284 28421.5735 211.5079417 221.8670534 208.4296778 225.4930565 227.980829 231.2256183 New_CL(74:11) 159530.2006 188729.5207 170215.2374 169673.6583 163909.3597 227167.9113 193205.2826 169395.4964 185981.9189 133460.4074 116927.4336 158128.0667 172858.4073 122755.2435 153293.8892 167055.9571 167277.0424 130927.1527 115610.3776 161365.4627 178990.7515 174490.4424 175470.0774 132630.489 176591.764 177963.4441 185315.5303 73759.83338 177624.7783 140598.9587 131409.8445 147178.423 118651.3268 180041.1649 135812.3211 138709.9156 161894.4439 133394.5533 162641.111 191493.0707 140810.8238 127085.8234 142782.8323 189274.1013 128423.5807 204956.1441 126858.616 130177.1249 157653.709 172443.017 85267.33459 82439.76638 127504.644 130119.5294 155091.5554 158771.492 168786.6708 177829.5289 163140.6885 155782.3356 162441.3939 160923.2452 244.1667098 247.2345279 278.9937678 255.7431447 258.8395536 258.4378077 New_CL(74:10) 13049.26399 15303.27721 10934.59338 8896.824091 9520.965949 18088.92939 11996.96444 15284.60333 4158.054183 12690.63638 5280.862329 7169.159551 7756.228361 5647.879376 8590.538529 7181.640975 7385.138124 6183.475238 5029.573897 9691.564272 11988.3872 12979.58692 8351.709997 7981.757082 12642.27842 10702.7536 12523.80328 2339.750646 7570.228698 7311.996809 7066.17555 11485.23025 8176.508083 15857.96436 8367.184964 9998.725926 13015.60262 9512.31552 9630.000101 18991.08095 8171.691371 6922.971641 8775.655163 10485.52938 7588.885299 12784.26049 6507.213582 7595.992748 9179.907215 9953.664959 4888.815222 3943.289326 6734.24398 6552.817398 10715.65997 10447.86723 10869.94417 10171.01043 10420.24013 10688.65749 10938.72637 10387.51141 115.2533906 115.3487472 112.7498864 94.62213784 107.2705514 109.7355096 New_CL(74:10)_feature1 48821.19926 56595.41718 49259.01789 55812.41356 47405.38305 66082.84922 45496.16596 60046.48615 43998.62919 40331.08667 26886.11099 34708.03081 42937.73709 30551.2891 37904.66014 43313.57978 37731.2414 32528.1619 23090.4836 46778.2567 57720.56408 48974.30422 43006.46525 38201.31817 54197.51113 47436.87163 45847.94462 10780.37897 47574.71089 32352.63191 38214.32976 42641.57513 39502.92202 54114.22222 41315.08096 53255.25717 48038.01763 40440.90466 41998.98663 74967.3383 41625.08061 34126.33103 37496.99737 47612.3389 38229.12316 56827.536 28037.11405 42177.10663 47809.75501 45296.44438 13636.6399 14253.4356 23539.0083 24708.22837 42987.43467 43635.40374 44240.8306 34829.46772 44248.34598 46103.95547 49301.60064 36689.45386 220.2232425 229.063379 230.0250644 233.7060199 245.3057048 247.3720169 New_CL(72:8) M-2H 703053.141 833739.456 818971.5739 751085.6626 721988.5759 1111284.678 861200.6356 818621.3844 884747.5196 575261.3565 464572.5176 670782.9194 865570.0803 490188.2669 641332.7852 801467.2897 734101.9093 516136.7986 425123.5753 753646.0641 827414.6992 850635.293 816544.0837 515625.6823 829644.1734 838531.5353 880850.4909 245133.0406 838758.3504 620503.5092 499367.6008 666041.5489 493207.8542 706053.5558 529560.6953 634023.7428 744952.8343 518737.7136 660699.0707 870885.4433 652746.2228 587742.4405 645064.8081 781249.6475 527614.5072 896030.3855 453832.9844 570159.8364 738698.4586 752915.9399 284234.5319 291806.4959 480701.6379 519084.5979 693142.0495 690047.7083 720052.676 756556.6718 691399.9657 715957.1543 682158.4131 710521.4654 884.7897232 950.0438455 1174.814725 904.4220473 443.1708482 1275.110162 New_CL(72:6) 34076.37906 34126.90588 39637.67779 34035.48955 26937.10041 50378.58498 41980.5139 38933.58255 45386.98785 29973.60736 19807.57674 28022.67286 33028.47102 23178.92441 30614.59187 34051.59121 31969.69437 16648.5729 19983.67516 33081.14144 50088.64293 35939.67671 27200.63926 22170.91095 37967.89857 35018.73501 36703.5865 6651.843293 34757.87407 20147.70258 27828.75037 30917.58146 24826.68762 49164.17311 27510.84273 42998.08514 40087.14864 36754.84014 31384.1626 53613.87163 19807.20794 29654.24289 20677.89433 33851.01799 33706.91935 46709.59317 21277.7077 27139.92677 24688.45667 26680.52166 11563.35155 9476.50027 19518.9907 14701.31433 31891.79933 41164.32912 33895.78843 25334.7635 35003.5343 36928.91477 34587.94177 33878.96765 255.6842209 259.8609875 246.7083857 194.095266 225.8099615 206.6359998 New_Cer(d36:1) 876147.4382 724285.0795 644819.1228 562339.7337 472755.973 841012.5008 704687.2905 1043227.125 906054.6211 552914.3311 599878.076 758262.0655 782245.4201 725761.7583 770941.0358 697480.9617 579726.8043 612437.9456 597622.1436 496686.1387 962031.773 607865.8991 634050.7152 601254.3558 893907.303 666672.7036 800149.3723 357097.4187 872342.1075 523677.8621 497914.4006 651767.006 481227.9395 585847.7074 450102.9395 599348.4679 605528.7401 488874.4302 474012.505 837618.0818 690866.8541 601289.4509 731179.9975 726065.4244 716848.521 777397.2598 428022.7783 637355.4939 676089.0497 684929.3154 555372.8672 552610.8226 626016.8259 603873.9512 718484.1135 685680.8734 642647.5579 664106.2251 649951.3807 676697.8715 690873.6549 704068.2521 561.3031955 538.8701539 552.5516747 791.996408 742.2288067 788.6063622 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 782.6372266 783.6456 GTInternalStandard_SM(d36:2(d9))>SM(d18:1/18:1(9z,d9))_[iSTD] 4.42 GTInternalStandard_PG(33:1(d7))>PG(15:0/18:1(9z,d7))_feature1 C39 H68 D7 O10 P 740.5456666 741.554 GTInternalStandard_PG(33:1(d7))>PG(15:0/18:1(9z,d7))_[iSTD] 4.43 GTInternalStandard_PE(33:1(d7))>PE(15:0/18:1(9z,d7))_feature1 C38 H67 D7 N O8 P 709.5511466 710.5595 GTInternalStandard_PE(33:1(d7))>PE(15:0/18:1(9z,d7))_[iSTD] 5.03 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 485.3365366 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] 2.25 GTInternalStandard_PC(33:1(d7))>PC(15:0/18:1(9z,d7))_M+H2CO2_feature1 C42 H75 D7 N O10 P 797.6039166 798.6123 GTInternalStandard_PC(33:1(d7))>PC(15:0/18:1(9z,d7))_[iSTD] 4.79 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 573.3891966 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] 2.21 GTInternalStandard_PS(33:1(d7))>PS(15:0/18:1(9z,d7))_feature1 C39 H67 D7 N O10 P 753.5406666 754.549 GTInternalStandard_PS(33:1(d7))>PS(15:0/18:1(9z,d7))_[iSTD] 4.36 GTInternalStandard_PI(33:1(d7))>PI(15:0/18:1(9z,d7))_feature1 C42 H75 D7 N O13 P 828.5618566 829.5702 GTInternalStandard_PI(33:1(d7))>PI(15:0/18:1(9z,d7))_[iSTD] 4.26 Sulfatide(d42:1-OH)_feature1 C48 H93 N O12 S 906.6340966 907.6425 Sulfatide(d42:1-OH) 6.74 Sulfatide(d42:1)_feature2 C48 H93 N O11 S 890.6391266 891.6475 Sulfatide(d42:1) 6.81 SM(d42:3)_M+H2CO2_feature1 C48 H93 N2 O8 P 855.6592466 856.6676 SM(d42:3)_ln_a 6.25 SM(d42:2)_M+H2CO2_feature2 C48 H95 N2 O8 P 857.6754266 858.6838 SM(d42:2)_ln_b 6.77 SM(d42:1)_M+H2CO2_feature2 C48 H97 N2 O8 P 859.6911666 860.6995 SM(d42:1)_ln_b 7.11 Sulfatide(d41:1)_feature1 C47 H95 N2 O8 P 845.6751466 846.6835 Sulfatide(d41:1) 6.97 SM(d40:1)_M+H2CO2_feature2 C46 H93 N2 O8 P 831.6596966 832.6681 SM(d40:1)_ln_b 6.82 SM(d38:1)_M+H2CO2_feature2 C44 H89 N2 O8 P 803.6280666 804.6364 SM(d38:1)_ln_b 6.18 SM(d36:1)_M+H2CO2_feature1 C42 H85 N2 O8 P 775.5968566 776.6052 SM(d36:1) 5.2 Sulfatide(d34:1)_feature1 C40 H81 N2 O8 P 747.5653566 748.5737 Sulfatide(d34:1) 4.35 PS(O-42:7)>PS(O-20:3/22:4)_feature1 C48 H82 N O9 P 846.5625466 847.5709 PS(O-20:3/22:4) 6.6 PS(40:6)>PS(18:0_22:6)_feature3 C46 H78 N O10 P 834.5288166 835.5372 PS(18:0_22:6)_ln_c 4.67 PS(40:6)>PS(18:0_22:6)_feature2 C46 H78 N O10 P 834.5645266 835.5729 PS(18:0_22:6)_ln_b 4.61 PS(40:5)>PS(18:0_22:5)_feature2 C46 H80 N O10 P 836.5436766 837.5521 PS(18:0_22:5)_ln_b 4.9 PS(40:5)>PS(18:0_22:5)_feature5 C46 H80 N O10 P 836.5436066 837.552 PS(18:0_22:5)_ln_e 5.2 PS(40:4)>PS(18:0_22:4)_feature1 C46 H82 N O10 P 838.5596866 839.5681 PS(18:0_22:4) 5.47 PS(38:6)>PS(16:0_22:6)_feature1 C44 H74 N O10 P 806.4973066 807.5057 PS(16:0_22:6) 3.93 PS(38:4)>PS(18:0_20:4)_feature2 C44 H78 N O10 P 810.5280466 811.5364 PS(18:0_20:4)_ln_b 4.87 PS(36:2)>PS(18:0_18:2)_feature4 C42 H78 N O10 P 786.5286066 787.537 PS(18:0_18:2)_ln_d 5 PS(36:1)>PS(18:0_18:1)_feature1 C42 H80 N O10 P 788.5439866 789.5524 PS(18:0_18:1) 5.67 PI(40:6)>PI(18:0_22:6)_feature2 C49 H83 O13 P 909.5486266 910.557 PI(18:0_22:6)_ln_b 4.57 PI(40:5)>PI(18:0_22:5)_feature1 C49 H85 O13 P 911.5645866 912.573 PI(18:0_22:5)_ln_a 4.8 PI(40:4)>PI(18:0_22:4)_feature1 C49 H87 O13 P 913.5797466 914.5881 PI(18:0_22:4) 5.36 PI(38:5)>PI(18:1_20:4)_feature1 C47 H81 O13 P 883.5335866 884.542 PI(18:1_20:4)_ln_a 4.06 PI(38:3)>PI(18:0_20:3)_feature2 C47 H85 O13 P 887.5647866 888.5732 PI(18:0_20:3)_ln_b 5.1 PI(38:3)>PI(18:0_20:3)_feature4 C47 H85 O13 P 887.5647666 888.5731 PI(18:0_20:3)_ln_d 5.39 PI(36:2)>PI(18:0_18:2)_feature2 C45 H83 O13 P 861.5486366 862.557 PI(18:0_18:2)_ln_b 4.89 PG(34:2)>PG(16:0_18:2)_feature1 C40 H75 O10 P 745.5012966 746.5097 PG(16:0_18:2) 4.27 PE(O-40:8)>PE(O-22:8/18:0)_and_PE(O-18:2/22:6)_feature2 C45 H76 N O7 P 772.5281466 773.5365 PE(O-40:8)_ln_b 4.92 PE(O-40:7)>PE(O-18:2/22:5)_feature4 C45 H78 N O7 P 774.5446866 775.5531 PE(O-40:7)_ln_d 5.2 PE(O-40:7)>PE(O-18:1/22:6)_and_PE(O-22:7/18:0)_feature10 C45 H78 N O7 P 774.5446666 775.553 PE(O-40:7)_ln_j 5.81 PE(O-40:6)>PE(O-18:1/22:5)_feature4 C45 H80 N O7 P 776.5599766 777.5684 PE(O-18:1/22:5)_ln_d 6.1 PE(O-40:6)>PE(O-18:1/22:5)_feature5 C45 H80 N O7 P 776.5599566 777.5683 PE(O-18:1/22:5)_ln_e 6.39 PE(O-40:5)>PE(O-18:1/22:4)_feature4 C45 H82 N O7 P 778.5753366 779.5837 PE(O-18:1/22:4)_ln_d 6.6 PE(O-39:7)>PE(O-21:7/18:0)_and_PE(O-17:1/22:6)_feature2 C44 H76 N O7 P 760.5276066 761.536 PE(O-39:7)_ln_b 5.32 PE(O-38:7)>PE(O-16:1/22:6)_and_PE(O-20:7/18:0)_feature2 C43 H74 N O7 P 746.5132466 747.5216 PE(O-38:7)_ln_b 4.88 PE(O-38:6)>PE(O-18:2/20:4)_and_PE(O-16:1/22:5)_feature3 C43 H76 N O7 P 748.5284266 749.5368 PE(O-38:6)_ln_c 5.45 PE(O-38:6)>PE(O-18:2/20:4)_and_PE(O-16:1/22:5)_feature2 C43 H76 N O7 P 748.5284366 749.5368 PE(O-38:6)_ln_b 5.15 PE(O-38:5)>PE(O-18:1/20:4)_feature6 C43 H78 N O7 P 750.5440166 751.5524 PE(O-18:1/20:4)_ln_f 6.06 PE(O-38:5)>PE(O-16:1/22:4)_feature5 C43 H78 N O7 P 750.5440166 751.5524 PE(O-16:1/22:4)_ln_e 5.75 PE(O-36:5)>PE(O-16:1/20:4)_feature3 C41 H74 N O7 P 722.5125666 723.5209 PE(O-16:1/20:4)_ln_c 5.11 PE(O-36:4)>PE(O-18:3/18:1)_feature6 C41 H80 N O7 P 728.5598866 729.5683 PE(O-18:3/18:1)_ln_f 6.74 PE(O-36:4)>PE(O-18:2/18:2)_feature1 C41 H76 N O7 P 724.5275166 725.5359 PE(O-36:4)_ln_a 5.32 PE(O-36:3)>PE(O-18:2/18:1)_feature3 C41 H82 N O7 P 726.5439566 727.5523 PE(O-18:2/18:1)_ln_c 6.05 PE(O-36:3)>PE(O-18:1/18:2)_feature6 C41 H78 N O7 P 726.5438266 727.5522 PE(O-18:1/18:2)_ln_f 6.24 PE(O-34:3)>PE(O-16:1/18:2)_feature1 C39 H74 N O7 P 698.5119866 699.5204 PE(O-34:3) 5.28 PE(O-34:2)>PE(O-16:2/18:0)_and_PE(O-18:2/16:0)_feature1 C39 H76 N O7 P 700.5281766 701.5366 PE(O-34:2)_ln_a 6 PE(O-34:1)>PE(O-18:1/16:0)_feature2 C39 H78 N O7 P 702.5437766 703.5522 PE(O-18:1/16:0)_ln_b 6.72 PE(O-32:1)>PE(O-16:1/16:0)_feature1 C37 H74 N O7 P 1350.032627 1351.041 PE(O-16:1/16:0) 5.95 PE(40:8)>PE(18:2_22:6)_feature1 C45 H74 N O8 P 786.5078466 787.5162 PE(18:2_22:6) 3.98 PE(40:7)>PE(18:2_22:5)_feature1 C45 H76 N O8 P 788.5228966 789.5313 PE(18:2_22:5)_ln_a 4.19 PE(40:6)>PE(18:0_22:6)_feature2 C45 H78 N O8 P 790.5395366 791.5479 PE(18:0_22:6)_ln_b 5.37 PE(40:5)>PE(18:0_22:5)_feature4 C45 H80 N O8 P 792.5544866 793.5629 PE(18:0_22:5)_ln_d 5.95 PE(40:5)>PE(18:0_22:5)_feature3 C45 H80 N O8 P 792.5544366 793.5628 PE(18:0_22:5)_ln_c 5.64 PE(40:4)>PE(18:0_22:4)_feature2 C45 H82 N O8 P 794.5701566 795.5785 PE(18:0_22:4)_ln_b 6.23 PE(39:6)>PE(17:0_22:6)_feature2 C44 H76 N O8 P 776.5223866 777.5308 PE(17:0_22:6)_ln_b 4.91 PE(38:6)>PE(18:2_20:4)_feature2 C43 H74 N O8 P 762.5071466 763.5155 PE(18:2_20:4)_ln_b 4.15 PE(38:6)>PE(16:0_22:6)_feature3 C43 H74 N O8 P 762.5071566 763.5155 PE(16:0_22:6)_ln_c 4.49 PE(38:5)>PE(18:0_20:5)_feature6 C43 H76 N O8 P 764.5229966 765.5314 PE(38:5)_ln_f 5.03 PE(38:5)>PE(16:0_22:5)_and_PE(18:1_20:4)_feature3 C43 H76 N O8 P 764.5229966 765.5314 PE(38:5)_ln_c 4.74 PE(38:4)>PE(18:0_20:4)_feature5 C43 H78 N O8 P 766.5395766 767.548 PE(18:0_20:4)_ln_e 5.61 PE(38:3)>PE(18:0_20:3)_feature3 C43 H80 N O8 P 768.5542666 769.5626 PE(18:0_20:3)_ln_c 5.98 PE(37:4)>PE(17:0_20:4)_feature2 C42 H76 N O8 P 752.5226066 753.531 PE(17:0_20:4)_ln_b 5.13 PE(36:4)>PE(18:2/18:2)_feature1 C41 H74 N O8 P 738.5068066 739.5152 PE(18:2/18:2)_ln_a 4.27 PE(36:4)>(16:0_20:4)_feature3 C41 H74 N O8 P 738.5075066 739.5159 PE(16:0_20:4)_ln_c 4.7 PE(36:3)>PE(18:1_18:2)_feature1 C41 H76 N O8 P 740.5227066 741.5311 PE(18:1_18:2)_ln_a 4.89 PE(36:2)>PE(18:1/18:1)_feature2 C41 H78 N O8 P 742.5393466 743.5477 PE(18:1/18:1)_ln_b 5.57 PE(36:2)>PE(18:0_18:2)_feature2 C41 H78 N O8 P 742.5393466 743.5477 PE(18:0_18:2)_ln_b 5.76 PE(36:1)>PE(18:0_18:1)_feature3 C41 H80 N O8 P 744.5546166 745.563 PE(18:0_18:1)_ln_c 6.44 PE(34:2)>PE(16:0_18:2)_feature2 C39 H74 N O8 P 714.5071466 715.5155 PE(16:0_18:2)_ln_b 4.83 PE(34:1)>PE(16:0_18:1)_feature1 C39 H76 N O8 P 716.5226466 717.531 PE(16:0_18:1)_ln_a 5.5 PC(O-36:5)>PC(O-16:1/20:4)_M+H2CO2_feature5 C45 H82 N O9 P 810.5646066 811.573 PC(O-36:5)_ln_e 4.84 PC(O-34:1)>PC(O-18:1/16:0)_M+H2CO2_feature2 C43 H86 N O9 P 790.5954066 791.6038 PC(O-18:1/16:0)_ln_b 5.81 PC(O-32:1)>PC(O-16:1/16:0)_M+H2CO2_feature2 C41 H82 N O9 P 762.5646566 763.573 PC(O-32:1)_ln_b 5.65 PC(40:8)>PC(20:4_20:4) _M+H2CO2_feature1 C49 H82 N O10 P 874.5603566 875.5687 PC(40:8) 3.82 PC(40:7)>PC(18:2_22:5)_M+H2CO2_feature1 C49 H84 N O10 P 876.5752166 877.5836 PC(40:7)_ln_a 4.01 PC(40:7)>PC(18:1_22:6) _M+H2CO2_feature3 C49 H84 N O10 P 876.5752266 877.5836 PC(18:1_22:6)_ln_c 4.34 PC(40:6)>PC(18:0_22:6) _M+H2CO2_feature3 C49 H86 N O10 P 878.5918666 879.6002 PC(18:0_22:6)_ln_c 5.11 PC(40:4)>PC(18:0_22:4)_M+H2CO2_feature2 C49 H90 N O10 P 882.6225066 883.6309 PC(18:0_22:4)_ln_b 5.98 PC(38:6)>PC(18:2_20:4)_M+H2CO2_feature1 C47 H82 N O10 P 850.5610266 851.5694 PC(18:2_20:4)_ln_a 3.97 PC(38:6)>PC(16:0_22:6)_and_PC(18:0_20:6)_M+H2CO2_feature2 C47 H82 N O10 P 850.5610266 851.5694 PC(38:6)_ln_b 4.28 PC(38:5)>PC(16:0_22:5)_and_PC(18:1_20:4)_M+H2CO2_feature3 C47 H84 N O10 P 852.5753366 853.5837 PC(38:5)_ln_c 4.52 PC(38:5)>PC(16:0_22:5)_M+H2CO2_feature5 C47 H84 N O10 P 852.5753166 853.5837 PC(16:0_22:5)_ln_e 4.79 PC(38:4)>PC(18:0_20:4)_M+H2CO2_feature4 C47 H86 N O10 P 854.5917666 855.6001 PC(18:0_20:4)_ln_d 5.34 PC(38:4)>PC(16:0_22:4)_M+H2CO2_feature3 C47 H86 N O10 P 854.5917666 855.6001 PC(16:0_22:4)_ln_c 5.04 PC(38:3)>PC(18:0_20:3)_M+H2CO2_feature3 C47 H88 N O10 P 856.6066466 857.615 PC(18:0_20:3)_ln_c 5.72 PC(37:4)>PC(17:0_20:4)_M+H2CO2_feature3 C46 H84 N O10 P 840.5748166 841.5832 PC(17:0_20:4)_ln_c 4.89 PC(36:5)>PC(16:1_20:4)_M+H2CO2_feature2 C45 H80 N O10 P 824.5444566 825.5528 PC(16:1_20:4)_ln_b 3.85 PC(36:5)>PC(16:0_20:5)_M+H2CO2_feature3 C45 H80 N O10 P 824.5444566 825.5528 PC(16:0_20:5)_ln_c 4.02 PC(36:4)>PC(18:2/18:2)_M+H2CO2_feature2 C45 H82 N O10 P 826.5609366 827.5693 PC(18:2/18:2)_ln_b 4.08 PC(36:4)>PC(16:0_20:4)_M+H2CO2_feature3 C45 H82 N O10 P 826.5609466 827.5693 PC(16:0_20:4)_ln_c 4.47 PC(36:3)>PC(18:1_18:2)_M+H2CO2_feature2 C45 H84 N O10 P 828.5757166 829.5841 PC(18:1_18:2)_ln_b 4.66 PC(36:3)>PC(18:1_18:2)_M+H2CO2_feature3 C45 H84 N O10 P 828.5756966 829.5841 PC(18:1_18:2)_ln_c 4.81 PC(36:2)>PC(18:0_18:2)_M+H2CO2_feature3 C45 H86 N O10 P 830.5925266 831.6009 PC(18:0_18:2)_ln_c 5.49 PC(36:1)>PC(16:0_20:1)_and_PC(18:0_18:1)_M+H2CO2_feature1 C45 H88 N O10 P 832.6075766 833.616 PC(36:1)_ln_a 6.18 PC(35:4)>PC(15:0_20:4)_M+H2CO2_feature2 C44 H80 N O10 P 812.5442266 813.5526 PC(15:0_20:4)_ln_b 4.11 PC(35:2)>PC(17:0_18:2)_M+H2CO2_feature2 C44 H84 N O10 P 816.5755966 817.584 PC(17:0_18:2)_ln_b 5.03 PC(34:4)>PC(14:0_20:4)_M+H2CO2_feature2 C43 H78 N O10 P 798.5286566 799.537 PC(14:0_20:4)_ln_b 3.78 PC(34:3)>PC(16:1_18:2)_M+H2CO2_feature1 C43 H80 N O10 P 800.5441566 801.5525 PC(16:1_18:2)_ln_a 3.95 PC(34:3)>PC(16:0_18:3)_M+H2CO2_feature3 C43 H80 N O10 P 800.5441666 801.5525 PC(16:0_18:3)_ln_c 4.21 PC(34:2)>PC(16:0_18:2)_M+H2CO2_feature1 C43 H82 N O10 P 802.5608866 803.5693 PC(16:0_18:2)_ln_a 4.6 PC(34:1)>PC(16:0_18:1)_M+H2CO2_feature2 C43 H84 N O10 P 804.5764766 805.5849 PC(16:0_18:1)_ln_b 5.23 PC(34:0)>PC(16:0_18:0) M+ H2CO2_feature3 C43 H86 N O10 P 806.5911566 807.5995 PC(16:0/18:0)_ln_c 6.12 PC(32:1)>PC(14:0_18:1)_and_PC(16:0_16:1) M+ H2CO2_feature2 C41 H80 N O10 P 776.5439466 777.5523 PC(32:1)_ln_b 4.43 PC(32:0)>PC(16:0_16:0)_M+H2CO2_feature2 C41 H82 N O10 P 778.5599366 779.5683 PC(32:0)_ln_b 5.17 PC(30:0)>PC(14:0_16:0)_M+H2CO2_feature1 C39 H78 N O10 P 750.5280066 751.5364 PC(30:0)_ln_a 4.35 LPE(O-15:0)_feature1 C20 H44 N O6 P 424.2838866 425.2923 LPE(O-15:0) 2.25 LPC(18:0/0:0)_and_LPC(0:0/18:0)_M+H2CO2_feature1and2 C27 H56 N O9 P 568.3610066 569.3694 LPC(18:0)_ln_ab 2.47 LPC(16:0)>LPC(16:0/0:0)_and_LPC(0:0/16:0)_M+H2CO2_feature1and2 C25 H52 N O9 P 540.3296366 541.338 LPC(16:0/0:0)_ln_ab 2.15 HexCer(d42:2) M+ H2CO2_feature3 C49 H93 N O10 854.6724166 855.6808 HexCer(d42:2)_ln_c 6.86 HexCer(d42:1) M+ H2CO2_feature2 C49 H95 N O10 856.6881766 857.6966 HexCer(d42:1)_ln_b 7.17 HexCer(d41:1-OH)_M+H2CO2_feature2 C48 H93 N O11 858.6673066 859.6757 HexCer(d18:1/23:0-OH)_ln_b 6.96 HexCer(d40:1-OH)>HexCer(d18:1/22:0-OH)_feature2 C46 H89 N O9 798.6459366 799.6543 HexCer(d18:1/22:0-OH)_ln_b 6.82 HexCer(d40:1)_M+H2CO2_feature2 C47 H91 N O10 828.6569466 829.6653 HexCer(d40:1)_ln_b 6.89 Hex2Cer(d40:3) C52 H95 N O13 940.6701166 941.6785 Hex2Cer(d40:3) 7.1 CL(72:7)_feature1 C81 H144 O17 P2 1449.970877 1450.9793 CL(72:7) 7.76 CL(70:7)_feature1 C79 H140 O17 P2 1421.948417 1422.9568 CL(70:7) 7.55 Cer(d42:2)_M+H2CO2_feature4 C43 H83 N O5 692.6191566 693.6275 Cer(d42:2)_ln_d 7.13 Cer(d42:1)_M+H2CO2_feature3 C43 H85 N O5 694.6349766 695.6434 Cer(d42:1)_ln_c 7.49 Cer(d41:1)_M+H2CO2_feature1 C42 H83 N O5 680.6192366 681.6276 Cer(d41:1) 7.33 Cer(d38:1)_M+H2CO2_feature1 C39 H77 N O5 638.5720866 639.5805 Cer(d38:1) 6.87 Cer(d36:2)_M+H2CO2_feature1 C37 H71 N O5 608.5246066 609.533 Cer(d36:2) 5.48 Cer(d34:1)_M+H2CO2_feature1 C35 H69 N O5 1166.025757 1167.0341 Cer(d34:1) 5.32 New_PI(38:4)>PI(18:0_20:4) - 885.5504466 886.5588 - 4.77 New_PE(O-40:7) - 774.5342666 775.5426 - 5.08 New_PE(O-39:7)>PE(O-21:7/18:0)_and_PE(O-17:1/22:6) - 760.5276266 761.536 - 5.15 New_PC(40:5)>PC(20:1_20:4) _M+H2CO2 - 880.6059766 881.6144 - 5.38 New_CL(76:12) - 1495.963647 1496.972 - 7.47 New_CL(74:9) - 1473.979607 1474.988 - 7.63 New_CL(74:11) - 1469.945757 1470.9541 - 7.58 New_CL(74:10) - 1471.964107 1472.9725 - 7.53 New_CL(74:10)_feature1 - 1471.961227 1472.9696 - 7.76 New_CL(72:8) M-2H - 1447.965547 1448.9739 - 7.58 New_CL(72:6) - 1451.995337 1453.0037 - 7.96 New_Cer(d36:1) - 564.5353866 565.5438 - 6.29 METABOLITES_END #END