#METABOLOMICS WORKBENCH DATATRACK_ID:3950 STUDY_ID:ST002631 ANALYSIS_ID:AN004303 VERSION 1 CREATED_ON 07-31-2023 #PROJECT PR:PROJECT_TITLE MoTrPAC 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 PR:ADDRESS Falk Building CV267, 870 Quarry Road, Stanford, California 94305 PR:EMAIL motrpac-data-deposition@lists.stanford.edu PR:PHONE (650) 725-1846 PR:DOI http://dx.doi.org/10.21228/M8V97D #STUDY ST:STUDY_TITLE MoTrPAC: Endurance exercise training study in young adult rats, Tissue:Plasma - ST:STUDY_TITLE Untargeted Lipidomics, Reversed-Phase Positive 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 ST:SUBMIT_DATE 2023-04-30 #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 1628FB23-6F66-47D4-8D82-63C87726F0FD 90245013106 Group:Control | Timepoint:8 weeks of training or control time | Sex:Female Sample_Data:raw_file=90245013106.raw SUBJECT_SAMPLE_FACTORS 69FD4884-786D-4F2A-97B1-6174FBD25D60 90248013106 Group:Control | Timepoint:8 weeks of training or control time | Sex:Female Sample_Data:raw_file=90248013106.raw SUBJECT_SAMPLE_FACTORS 07AF7369-F082-4CA7-99D5-D973F4A162C9 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training or control time | Sex:Female Sample_Data:raw_file=90251013106.raw SUBJECT_SAMPLE_FACTORS 2479BEE5-2A38-4D09-B15B-B1715F561A9F 90254013106 Group:Training | Timepoint:8 weeks of training or control time | Sex:Female Sample_Data:raw_file=90254013106.raw SUBJECT_SAMPLE_FACTORS 0A4A7935-3AF4-463F-84E3-DCF07671509D 90258013106 Group:Training | Timepoint:8 weeks of training or control time | Sex:Female Sample_Data:raw_file=90258013106.raw SUBJECT_SAMPLE_FACTORS 04C84D7E-FC8C-422F-AE4B-CAFADB63407B 90259013106 Group:Training | Timepoint:8 weeks of training or control time | Sex:Female Sample_Data:raw_file=90259013106.raw SUBJECT_SAMPLE_FACTORS 2B969165-1A52-43AA-8FD9-39AFA62F094F 90267013106 Group:Training | Timepoint:8 weeks of training or control time | Sex:Female Sample_Data:raw_file=90267013106.raw SUBJECT_SAMPLE_FACTORS 0BD282C7-7832-4581-9089-08A32D557034 90218013106 Group:Training | Timepoint:8 weeks of training or control time | Sex:Male Sample_Data:raw_file=90218013106.raw SUBJECT_SAMPLE_FACTORS 955498F4-70A0-4D50-A2BA-619A8FED8FEF 90222013106 Group:Training | Timepoint:8 weeks of training or control time | Sex:Male Sample_Data:raw_file=90222013106.raw SUBJECT_SAMPLE_FACTORS CFE06932-9314-4BCC-B2D9-73883D5FCDFB 90223013106 Group:Training | Timepoint:8 weeks of training or control time | Sex:Male Sample_Data:raw_file=90223013106.raw SUBJECT_SAMPLE_FACTORS 3719CB62-B551-49BE-94A0-E51DFE13D30D 90225013106 Group:Training | Timepoint:8 weeks of training or control time | Sex:Male Sample_Data:raw_file=90225013106.raw SUBJECT_SAMPLE_FACTORS F65955CE-E49F-48C7-B861-02A2FDF6F9B8 90227013106 Group:Training | Timepoint:8 weeks of training or control time | Sex:Male Sample_Data:raw_file=90227013106.raw #COLLECTION CO:SAMPLE_TYPE Plasma #TREATMENT TR:TREATMENT_SUMMARY - #SAMPLEPREP SP:SAMPLEPREP_SUMMARY IPA extraction with three cycles of freeze/thaw(with sonication) SP:SAMPLEPREP_PROTOCOL_FILENAME pass1b_experimental_design_metabolomics.pdf #CHROMATOGRAPHY CH:CHROMATOGRAPHY_SUMMARY global lipid separation CH:METHODS_FILENAME pass1b_lrpneg_lrppos_methods.pdf CH:INSTRUMENT_NAME Vanquish horizon LC CH:COLUMN_NAME Thermo Accucore C30 (100 x 2.1mm,2.6um) CH:COLUMN_TEMPERATURE 50C 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: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:CHROMATOGRAPHY_TYPE Reversed phase #ANALYSIS AN:ANALYSIS_TYPE MS #MS MS:INSTRUMENT_NAME Thermo Q Exactive HF hybrid Orbitrap MS:INSTRUMENT_TYPE Orbitrap MS:MS_TYPE ESI MS:ION_MODE POSITIVE #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS peak area MS_METABOLITE_DATA_START Samples 90245013106 90248013106 90252013106 90265013106 90266013106 90217013106 90229013106 90232013106 90237013106 90239013106 SampleBlank01 SampleBlank02 SampleBlank03 SampleBlank04 SampleBlank05 SampleBlank06 QC01 QC02 QC03 QC04 QC05 QC06 QC07 QC08 QC09 IPE_Reference_Plasma IPE_Reference_Plasma02 SED_Reference_Plasma SED_Reference_Plasma02 90559013106 90560013106 90564013106 90567013106 90571013106 90421013106 90422013106 90423013106 90426013106 90430013106 90576013106 90578013106 90581013106 90585013106 90587013106 90439013106 90441013106 90444013106 90449013106 90450013106 90406013106 90410013106 90412013106 90416013106 90420013106 90280013106 90281013106 90283013106 90289013106 90292013106 90251013106 90254013106 90258013106 90259013106 90267013106 90218013106 90222013106 90223013106 90225013106 90227013106 Factors Group:Control | Timepoint:8 weeks of training or control time | 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hour | Sex:- Group:QC-Pooled | Timepoint:0 hour | Sex:- Group:QC-Pooled | Timepoint:0 hour | Sex:- Group:QC-Pooled | Timepoint:0 hour | Sex:- Group:QC-Pooled | Timepoint:0 hour | Sex:- Group:QC-Pooled | Timepoint:0 hour | Sex:- Group:QC-Pooled | Timepoint:0 hour | Sex:- Group:QC-Pooled | Timepoint:0 hour | Sex:- Group:QC-Reference | Timepoint:0 hour | Sex:- Group:QC-Reference | Timepoint:0 hour | Sex:- Group:QC-Reference | Timepoint:0 hour | Sex:- Group:QC-Reference | Timepoint:0 hour | Sex:- Group:Training | Timepoint:1 week of training or control time | Sex:Female Group:Training | Timepoint:1 week of training or control time | Sex:Female Group:Training | Timepoint:1 week of training or control time | Sex:Female Group:Training | Timepoint:1 week of training or control time | Sex:Female Group:Training | Timepoint:1 week of training or control time | Sex:Female Group:Training | Timepoint:1 week of training or control time | Sex:Male Group:Training | Timepoint:1 week of training or control time | Sex:Male Group:Training | Timepoint:1 week of training or control time | Sex:Male Group:Training | Timepoint:1 week of training or control time | Sex:Male Group:Training | Timepoint:1 week of training or control time | Sex:Male Group:Training | Timepoint:2 weeks of training | Sex:Female Group:Training | Timepoint:2 weeks of training | Sex:Female Group:Training | Timepoint:2 weeks of training | Sex:Female Group:Training | Timepoint:2 weeks of training | Sex:Female Group:Training | Timepoint:2 weeks of training | Sex:Female Group:Training | Timepoint:2 weeks of training | Sex:Male Group:Training | Timepoint:2 weeks of training | Sex:Male Group:Training | Timepoint:2 weeks of training | Sex:Male Group:Training | Timepoint:2 weeks of training | Sex:Male Group:Training | Timepoint:2 weeks of training | Sex:Male Group:Training | Timepoint:4 weeks of training | Sex:Female Group:Training | Timepoint:4 weeks of training | Sex:Female Group:Training | Timepoint:4 weeks of training | Sex:Female Group:Training | Timepoint:4 weeks of training | Sex:Female Group:Training | Timepoint:4 weeks of training | Sex:Female Group:Training | Timepoint:4 weeks of training | Sex:Male Group:Training | Timepoint:4 weeks of training | Sex:Male Group:Training | Timepoint:4 weeks of training | Sex:Male Group:Training | Timepoint:4 weeks of training | Sex:Male Group:Training | Timepoint:4 weeks of training | Sex:Male Group:Training | Timepoint:8 weeks of training or control time | Sex:Female Group:Training | Timepoint:8 weeks of training or control time | Sex:Female Group:Training | Timepoint:8 weeks of training or control time | Sex:Female Group:Training | Timepoint:8 weeks of training or control time | Sex:Female Group:Training | Timepoint:8 weeks of training or control time | Sex:Female Group:Training | Timepoint:8 weeks of training or control time | Sex:Male Group:Training | Timepoint:8 weeks of training or control time | Sex:Male Group:Training | Timepoint:8 weeks of training or 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14875070.0900 19000957.4300 20943886.5700 22334876.1400 22787488.7800 23543159.6300 34571818.7600 23614372.6200 19440862.4300 23474329.9500 20436541.5800 25406268.9200 21356377.5600 42898326.0800 25348925.4200 27053183.0200 32195935.9100 31243709.4200 34055243.7700 27879829.0700 19305732.3000 25120797.4200 24212550.3200 26354508.5000 20589145.0500 32049947.4200 27517452.4500 20727717.6500 DG(40:7)>DG(18:1_22:6_0:0)_M+NH3_feature3 2599500.1960 3966770.3750 3905126.9050 3434039.1400 2695138.5190 3009382.5470 4146921.8420 5435707.4760 7558534.9460 3707548.0670 14593.7663 14706.0486 14161.5452 14570.3187 14978.7150 14556.6495 3701695.4430 3756859.7630 3598484.3520 3381088.5460 3514541.7810 3567976.5900 3759469.5540 3653434.0530 3652843.0370 3734001.3370 3489641.4850 4001808.6540 3905928.2230 2036086.3060 1812463.5050 2104217.5420 2174673.8120 1744085.2610 4022417.5110 2320139.3760 3390580.2220 4216971.7670 7161975.2320 1910024.5530 2642209.8180 1426019.0240 1284178.1710 1953766.4180 2967979.7100 2736222.1700 3461385.5660 4128854.4870 2990785.0500 2449880.5910 2501547.8730 2757237.2740 2538219.3990 3419407.6260 8616553.9070 6764869.4440 3146234.2120 6146138.1360 5273559.0770 4524437.8990 3135236.0090 3967650.3700 3104884.2490 2601767.0540 2426094.0390 3295962.3050 3394949.8700 4761418.4660 3659512.3560 EA(17:0)_feature1 370286.8664 6028392.5130 2212248.0970 205443.9102 344944.0350 2381626.4440 761217.2824 2062720.6640 6231176.8340 1559038.6310 14615.6605 451057.2398 431745.4901 15679.3137 482374.2249 482632.9832 1007446.7340 1194531.8850 1261933.8950 1154035.9670 1198246.5240 1166830.5840 1028830.4870 1121042.2270 1191136.7590 93971.6071 99913.2806 44111.4050 52523.3758 1538582.0360 89830.8790 538031.6385 2233117.8920 49647.6226 2273411.7310 3820664.7800 260117.8534 366408.6921 2959208.9860 125512.7991 1372467.6530 649030.9027 95492.6437 114716.2803 1542083.1030 201450.7769 167286.6049 60717.9599 104097.0948 84086.7679 165939.5837 75645.6524 2835523.7500 1759008.2930 85042.6415 113541.0926 311682.3745 77729.1545 1035327.8790 544308.1684 6964852.5550 1139175.8700 513732.6426 64803.8911 122605.7134 199215.9619 209138.1403 122898.0627 541572.2966 erucamide_feature1 454707.4146 1794871.3060 292224.9308 242175.9948 349404.9624 724379.0863 3076663.4200 1106975.2240 1744852.7340 1489790.5020 232074.4586 230242.3780 228477.3301 245523.2317 309130.3574 274833.5532 1935953.3860 2019774.1490 2070740.4100 1788182.7890 1904449.1720 1760374.4310 1670743.1810 2163681.4090 2070922.2270 3298739.7610 2925653.0620 1227160.4490 1632586.0550 8953719.2140 1139435.2170 3264994.1870 4352544.8120 304168.4364 379189.4590 1456970.4160 1059282.7460 286858.1888 431677.2243 430136.6303 996385.5496 1207017.8250 896901.0255 1514442.4100 439400.3867 918422.1330 988500.0519 1322464.6020 1449383.3290 868849.3499 351117.6024 1327387.5720 1872484.7650 129557.8859 165778.3521 506033.4792 278107.2217 2408877.6220 1561968.6690 6310887.9790 680653.8637 1713277.2500 966637.3175 1759297.3760 1938209.9240 720037.3927 926428.9461 456277.8489 1403645.4090 erucamide_feature2 1206918886.0000 3501536421.0000 789656723.7000 674809621.1000 723606493.5000 702711677.5000 6845472823.0000 2498010840.0000 3551837791.0000 3339414017.0000 145702773.1000 235875997.6000 221876110.1000 150491933.8000 236964437.1000 216869506.0000 3257349900.0000 3868340082.0000 3365144070.0000 3397548607.0000 3473188789.0000 3479595095.0000 3132104364.0000 3648288485.0000 3575688634.0000 5791181684.0000 6369559350.0000 2873265834.0000 3453178564.0000 13333448903.0000 2284668417.0000 4789382523.0000 9437916387.0000 791180661.4000 933935667.4000 2555001962.0000 1362080868.0000 464600298.4000 790573444.8000 1190995110.0000 1187348945.0000 2055141736.0000 566953656.1000 4270770363.0000 1170308016.0000 1243512139.0000 1530022891.0000 2932919693.0000 2980894153.0000 2159534288.0000 333977144.2000 2473337194.0000 3239106548.0000 446568266.9000 275155289.8000 600659429.6000 188808762.1000 3701232424.0000 772611029.9000 8754143195.0000 300949111.6000 2727461197.0000 1527814755.0000 3555484458.0000 3921918265.0000 968753188.1000 1716741396.0000 521302224.9000 2808606052.0000 glycocholate_feature1 45667511.1000 39164361.0100 18795524.5700 20400703.1800 25285515.4800 12912361.2800 23189461.4300 2852880.6960 6469805.8830 562228.5619 24491.4303 27416.6994 24898.8542 27796.5213 29293.7589 28029.3828 16022392.1000 15283050.1900 15168451.1200 14371237.9500 14833649.0200 14900826.9600 15070778.7700 15394984.9900 15971528.4200 1150056.2460 961908.8907 4747195.2630 5179690.4040 10948181.0400 8444142.3160 40563404.5700 46895926.4400 51874926.0500 908880.0525 5021282.1970 622156.2558 1370261.5030 808967.7613 539413.8867 15114546.1500 30455246.2300 7200400.8890 39214283.9100 1400267.3120 8774322.6730 7618059.3310 4340327.4120 2095891.0860 21275670.3100 18772562.4000 33195100.8800 8761875.8680 25847712.1600 659626.7614 461639.3224 785930.8238 2005384.5890 888402.1704 36841212.4000 6385999.2450 19560866.3200 29554412.8700 23758614.9500 2772879.5400 25440229.4200 1226526.4660 6603476.4450 4615792.2500 GTInternalStandard_CE(18:1(9z_d7))_M+NH3_feature1 80821050.2700 58031152.8900 43377560.3900 64462702.8100 68911920.6500 65321879.8300 67264250.1600 70483667.1100 73031464.4900 74072087.8200 38928.8080 37147.4209 37220.8001 44477.7564 38973.9827 38429.0312 64740918.3500 70903608.1600 69775370.6600 72710596.0500 69286674.8600 70744265.7600 65102982.5600 71097379.8000 67796803.1000 59585961.2500 58987773.5500 63649581.5100 72562284.6700 71475349.7100 70980739.6400 68342366.0200 68633692.2600 75661833.2900 74211841.2700 74969964.0000 74087949.2400 80173292.7100 68513209.1900 65960248.1800 73402819.1900 76763939.2400 81891281.0500 72582687.3700 76444033.3500 75873414.3000 71616471.2700 67159268.8400 71437497.6900 68252024.0100 69605131.4000 77238646.0700 71902425.7300 63441253.9000 73726473.2500 71925718.3500 72477407.0500 70207528.1100 68438245.4900 62941121.0400 69133484.2500 67760807.0000 63714787.3600 70711197.3500 82320274.9600 70484484.1900 78179912.5900 68579732.1300 75408186.0600 GTInternalStandard_cholesterol(d7)_M-H2O_feature1 3044266.8610 3125548.9820 2357303.7230 3103469.2270 2842428.6420 4808635.9860 4542603.2810 4522543.1270 4147005.9100 5279297.6830 6842.1801 6400.2439 6054.6266 10235.7095 7611.5630 7439.4083 3965021.7170 3339045.2950 3690438.8520 3790346.5000 3861730.1990 3832799.3620 3587983.0960 3668572.9090 3727211.0720 4647213.5830 4113178.3600 5572909.9060 5996883.3310 3457683.2520 3322640.6230 3418949.0110 2866523.4800 3172974.7010 5309032.5550 6153545.8550 4507780.6320 4637502.1910 4100028.3990 3056470.8220 3034209.2820 3494310.2220 4058394.9610 3313574.2380 4301764.4350 4611460.6890 3413713.1930 4724795.0920 3225666.3210 2880880.3010 3160364.6440 4447603.4590 3171185.9780 2326814.8970 4490707.0680 4530752.1450 4894825.9070 4670718.8690 4548241.0180 3513326.1260 3386864.9800 3523749.9120 3166936.2310 3694922.4740 5107206.5520 3852743.0540 4486538.4060 3897207.7430 5715159.4110 GTInternalStandard_DG(33:1(d7))>DG(15:0/18:1(d7)/0:0)_feature1 133334726.5000 132010038.2000 132327804.7000 127309815.8000 129880029.4000 129931159.6000 126837175.5000 129534787.7000 137058805.6000 124034564.4000 75662.5941 76218.1151 77672.6775 81617.2094 81344.5752 81149.3239 135935910.6000 132347162.7000 136063737.0000 128490545.6000 129849951.3000 132979743.0000 137230560.8000 136998257.3000 130604699.7000 118475468.0000 120133559.6000 124021088.2000 125262829.2000 132243147.2000 131102956.9000 130785458.7000 128745348.7000 135916896.6000 129044094.5000 126760167.4000 131411496.4000 130844437.9000 133182346.7000 127172489.8000 134084953.6000 123666139.8000 136703278.1000 136246795.2000 132448753.6000 129393940.5000 126023102.0000 131342848.6000 130648375.7000 137112358.5000 132309342.8000 144462502.5000 127590306.2000 127342792.7000 124862417.9000 125887081.7000 126948621.8000 128109224.0000 126189638.7000 134800473.4000 129403252.5000 132578128.8000 129496292.0000 136517799.6000 136152499.0000 138278101.2000 144174977.4000 129864851.0000 126483266.5000 GTInternalStandard_PC(18:1(d7))>PC(18:1(9z_d7)/0:0)_and_PC(18:1(d7))>PC(0:0/18:1(9z_d7))_feature1 461028233.3000 430904723.0000 438879881.4000 430693851.4000 466430984.1000 417837637.6000 424472600.5000 424589824.5000 418290370.2000 423986634.0000 43375.4250 39824.7105 44407.0243 61075.6365 38361.9078 41444.2801 427094433.9000 439039350.1000 505558146.8000 436180385.7000 405942952.7000 449262404.4000 440973918.4000 454862190.3000 447262255.0000 385375344.3000 428284361.6000 412842203.7000 422558942.9000 407684361.0000 435965976.2000 442906270.9000 420420528.4000 444178039.1000 453918344.8000 440267256.4000 409858061.3000 437048928.3000 435720594.7000 421018845.3000 434568840.1000 468413128.6000 505005032.6000 466898128.3000 442397714.4000 460606543.1000 418926411.3000 436571064.1000 417576468.4000 407231324.8000 423716945.8000 485762332.5000 413015203.1000 442942523.8000 428257957.5000 411286310.0000 417862836.0000 437979749.8000 395886435.9000 434894984.7000 464364171.8000 453304391.9000 419683660.4000 426998425.2000 438781655.6000 403408413.6000 416614312.5000 423337355.8000 429836563.0000 GTInternalStandard_PC(33:1(d7))>PC(15:0/18:1(9z_d7))_feature1 6531040293.0000 7079578800.0000 6046536559.0000 6046296627.0000 7348675408.0000 7017655471.0000 7471974294.0000 7265984224.0000 6495299335.0000 7469914752.0000 108862.6444 76932.9129 74642.7388 126924.3816 71663.4299 68881.6367 6990210728.0000 6909874456.0000 5231087711.0000 7235020261.0000 7189090604.0000 6710491470.0000 7096254955.0000 7018832034.0000 6041761307.0000 7007599474.0000 5288954794.0000 7173216285.0000 6123479474.0000 6550146942.0000 6913344499.0000 5513499411.0000 6471632859.0000 6716185272.0000 7132717355.0000 6184715829.0000 7000348628.0000 6244855505.0000 6659419521.0000 5010514328.0000 6324204298.0000 6312650648.0000 6368013534.0000 7093753432.0000 6532410767.0000 7688098507.0000 6856067090.0000 6615092068.0000 6459611383.0000 6846075280.0000 5875861384.0000 6905021797.0000 6703504737.0000 2852279544.0000 7350139822.0000 6022815418.0000 6956163565.0000 6521661816.0000 7092636333.0000 6806202540.0000 6960661163.0000 6465405214.0000 7096164102.0000 6029799940.0000 6910964228.0000 6209289399.0000 5808068034.0000 6345218469.0000 6584500688.0000 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 28992812.8700 27498951.7700 30932610.9800 30504621.2300 31381432.1500 28017342.1600 29100970.0800 29455495.7500 23416305.8600 27732577.3700 22958.9762 22991.3339 21340.9051 20000.9637 18546.4159 17829.8514 31197282.3900 25086048.3200 25036733.3600 31329344.9400 27913419.8900 28445149.6100 26957290.6300 30593577.3400 26641464.1300 29698958.1800 23863807.0800 23833272.3000 19794735.3200 26726529.6800 28770632.6200 28173440.6900 27768969.4200 28146111.9000 27726230.2100 21787990.2900 20009608.4500 29069031.0300 26848658.0300 21492599.9300 31634442.9200 23401007.9800 24478928.1000 29448130.4800 29709038.9000 29643008.0100 28817305.0400 27755326.0900 25491277.8500 26613276.6800 29962764.8800 30793106.2800 27365589.8400 29432210.2000 31280918.5600 26595017.6200 29086039.6600 29547347.6300 29919504.5100 30241967.6900 24354981.7400 28565933.8200 22365409.2500 30310163.4400 26011685.3000 29693074.6000 26567406.8000 30507073.6000 28209012.5500 GTInternalStandard_PE(33:1(d7))>PE(15:0/18:1(9z_d7))_feature1 46150373.1800 43716002.8400 51939067.7400 49972091.5600 45967137.8200 39344921.4700 39917233.1500 39590483.6500 39803597.5200 40834325.5900 32372.8664 29854.3692 29346.3060 31208.3853 29411.1992 29864.5493 43960249.0300 46470970.1000 44678920.9400 45195807.0900 45889662.5700 43924402.8200 44799931.4900 45084303.7800 45409709.6700 38150639.7700 38253855.2000 36456821.1400 38779885.6500 47544599.2300 45787185.3100 46322141.2900 46440680.2800 43509253.5200 37980661.9200 36132273.8800 42344049.4200 28829086.4400 41007190.8100 48080719.1300 46746012.8300 48284164.4200 44811387.3700 48307348.4900 44976445.9000 37382820.4600 41658477.1400 40375072.8900 40240607.1700 52187657.6500 46471482.5500 44669393.3300 46472150.5200 47757884.6800 32547378.3200 37245969.8700 38525194.9600 30681845.5000 38883645.4100 45081812.7200 43419177.9900 45606028.2600 49831805.2800 48118120.9500 39303287.9600 41822234.0000 40216931.6700 31123904.2500 36373017.1800 GTInternalStandard_PI(33:1(d7))>PI(15:0/18:1(9z_d7))_feature1 15330497.3000 16930958.7300 17180264.1700 14649686.4000 17032909.0400 13336053.4700 15984317.8000 15007550.0400 17722276.4100 16303419.4700 14429.1737 11883.8182 12202.4784 16316.9163 10579.0855 10632.2162 15890350.8700 16567461.4300 17007877.3200 15752162.0100 15774486.0100 16038864.1900 14054999.2400 16122932.0400 17791181.3300 14792160.5200 13094046.8800 15541265.8600 14834626.7900 16300033.7700 14639698.8800 16296606.4700 16511922.9700 14056912.5100 13172077.3300 16157792.9400 16277472.6800 15318286.8000 14387832.9300 16247645.8200 14606054.7300 14189817.1900 14145447.2100 17160621.1200 15842657.1800 16499042.4100 15190531.1400 15780446.4500 15753814.9600 17409995.9800 13473795.1600 17104789.1200 16119720.4000 18896510.9800 14144126.0800 15467930.7200 16354947.3600 18305193.9200 14066647.8100 14318812.4600 16764062.4900 17708109.1000 15392653.7400 16830772.5500 14459188.5700 16064877.7600 15690077.6900 15823489.3300 14752631.0200 GTInternalStandard_PS(33:1(d7))>PS(15:0/18:1(9z_d7))_feature1 14449720.7600 13449730.4700 12997017.7700 14144992.0800 13229631.3800 14132764.5600 12357511.0600 12897426.8100 14364263.8900 13650928.8400 26572.9851 26643.0658 26933.3287 26685.9192 25646.5421 25893.9045 12137241.1200 13060992.2100 14537498.4300 13682431.9000 15102986.1500 14439473.0200 12140874.1900 13406355.2900 12962329.5100 12868060.1800 13527927.1100 10660797.0400 13612639.7400 14769363.4900 12546193.8300 14113485.4900 12267412.9900 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2117013.0890 2895048.8900 1944101.0620 2429857.1010 2635635.0140 2467054.7590 1962807.3140 1578024.9660 1526655.9580 1488671.6020 17929.7769 17104.1269 17508.8675 13778.0454 13306.0194 13779.4941 1718255.4230 2597388.7120 2298328.0990 1854512.6970 1636701.7110 2623898.7310 2510066.8470 1547743.7430 2198392.6860 2538749.9120 1952049.8250 1459570.9800 1313278.7380 2012356.0480 1894575.5590 2287435.4840 2790630.4210 2533529.8040 1643548.3950 1861912.6920 2004891.5680 1341991.4000 2046546.8960 2534549.9180 2980011.3770 2589135.6300 1731906.7600 2815608.5740 2403190.3330 1336880.6170 2098392.2020 1700067.9010 1862529.0090 3044310.9850 2110355.5410 1985325.4320 2696091.7020 2445693.4890 1300501.0660 1299901.2640 1639427.2500 1839776.7620 2120998.3780 2739244.3880 2057270.1600 2164617.2010 2466277.4610 2662975.0040 1775728.7870 1352322.1950 1352696.1490 2221824.3550 1831307.1130 LPE(16:0/0:0)_feature1and2 29016073.3500 29220297.7100 31163880.8200 29578492.4900 28182859.1000 23154504.3500 27749815.9500 21839393.1900 24907885.3900 20175692.7800 23932.7509 19901.5829 19518.8068 21814.5420 19780.8105 20792.6873 28133734.3700 26613063.2600 25880431.3100 29601594.1700 27526924.7500 24814971.2700 27300819.6100 28296403.3800 27407621.9900 14642154.5900 13528498.5600 19309799.2500 20375466.7400 25411415.2200 26444012.0400 24899115.2000 25710176.4500 27051394.6700 23400273.9600 20370032.3900 22718048.5300 21724233.1900 24828127.9800 28364605.9200 27851679.7400 31663165.3400 23312318.7000 26142145.4200 24263407.1400 21232119.6200 31889474.0300 21684169.1800 26899727.4300 37795618.2700 26020038.9200 22091911.6300 30422735.7500 25970170.0200 25968581.5300 26286444.3900 21449902.0700 23737596.6400 26670383.7500 26008961.9900 25216915.7600 31592253.6800 31713690.4400 32809561.9400 24243329.8100 27095856.6900 24912665.7300 33491241.0300 30908883.6700 LPE(18:0/0:0)_and_LPE(0:0/18:0)_feature1and2 54384099.9500 53100645.6200 56173866.0300 51649063.5600 50561429.7500 26893373.2200 34876112.3000 23818198.0900 27208549.4000 21893704.2100 23491.4093 22272.0190 21043.1760 20953.9230 21142.3395 21248.8436 43270239.8500 39892964.2800 40968274.6400 38572614.3400 38792650.4200 45451512.2500 40049599.8600 42852869.0400 39585894.1800 24285546.0200 24221915.3600 22992277.8500 25320608.9100 50101108.6900 46174726.4600 40472412.2500 50688671.2700 49831289.0700 25994240.4600 28254305.3600 33378456.8300 26401878.6000 32335485.0800 54345802.1600 47864871.0800 47564990.1700 39862077.6700 45559446.5100 34888174.1600 27002137.5600 33768539.9400 29770294.4300 27440389.4000 58059298.7000 47909135.7300 36323144.5100 42470427.6600 42338752.5000 28461872.1800 33326537.2000 26122716.4200 27874808.5400 29995862.4300 37773096.1300 47148910.6800 46428436.5200 47204106.3600 53542691.9700 30270341.8900 31964857.1200 35641051.1900 38260257.3500 31652651.6900 LPE(18:1/0:0)_and_LPE(0:0/18:1)_feature1and2 5849221.9760 5857034.4180 8284840.7740 8178474.7240 5836627.0820 3643236.6030 4737449.1640 3717299.5640 4606604.4940 3539167.5510 16766.0885 16824.5306 16025.8840 16806.5249 15708.3662 15919.2089 4565117.1050 5140363.0890 5290995.0370 4758740.9110 4745814.6170 5067945.0820 5089173.0510 5203633.2240 4560627.1230 2773394.8630 2892945.8540 4024043.4890 3920195.9780 4315908.8200 4284796.9910 4784057.5130 4249476.7910 5484173.9240 3453732.3710 3219462.2630 4197821.4020 3806488.7780 4204454.1790 4449337.7260 5457164.2610 5059952.2090 3437139.0610 5032874.7150 3736651.0270 3778154.9300 4655768.4200 4990572.7370 3851208.4340 8071447.4790 6517877.8790 5003498.3660 6653761.2260 5896775.2600 4609752.1890 4641143.8510 3087143.5130 3962291.6880 4320848.0050 6715794.2720 4356841.5730 8520622.0040 7600470.8730 6985841.7120 3813459.7680 5095135.8690 5329977.0810 5965628.0750 5286261.0380 methyl-histidine_feature1 224120.8831 244670.4433 307945.7045 291920.7505 314460.9777 224252.8242 239381.2045 185442.0429 191875.4004 169544.9078 6638.1710 6050.4769 6426.8089 4568.4960 5279.7234 5810.6058 203900.7053 228761.7282 334725.2393 219502.3344 324976.0909 226812.2338 272782.5008 248168.1794 220144.5938 322309.7270 289022.1415 202158.1066 246918.1787 212476.4384 275956.9459 326817.0653 146692.5148 246423.0409 164980.1365 183722.7272 145360.7795 243044.4188 234063.1490 273977.4055 216366.4224 193689.6865 111276.4815 123583.8802 253351.2306 238589.0135 202853.0327 232057.9725 262276.3010 214238.4712 247073.8217 90130.8208 212810.6270 272213.8660 210392.2324 244433.7417 211296.2985 167868.9530 230608.1181 198288.1827 148777.4393 179753.3195 204053.6966 375786.0654 235439.4520 208532.0827 281080.5724 178661.5012 166016.8936 new_HexCer(d42:1)>HexCer(d18:1/24:0) 42891113.3000 63986450.7400 70041494.3300 37942826.0700 55049354.2000 9537684.9430 13616553.0700 9459731.1330 11357251.6200 4110511.5180 58344.0438 35386.3965 35100.7226 80049.9432 34033.4250 33718.3654 26142713.6600 36889104.6800 31899615.4500 28286550.9000 32169637.1900 31994274.7400 29886231.7400 37043102.8900 26704354.2600 5880850.6600 7508065.1580 6426433.1950 6279224.7360 55885571.7100 33520727.0700 58986305.5900 33425932.4600 41097897.2900 8352344.0230 9046189.8150 17499841.1500 11443247.2000 12345273.7100 74905153.1700 58007028.8200 58070421.6600 42940313.7000 50369849.9300 10389940.7200 9973037.7380 14801857.1900 11339843.7800 9880521.0710 62877196.8800 46841116.7000 31773193.0000 44127429.9400 53379677.0200 14027051.8900 11518003.2400 11963532.1600 7850303.2510 10515313.3800 47116686.8400 40192505.6900 49309936.5200 56177480.5400 68264606.3700 9042763.7730 16319779.5800 13055705.4700 9385967.4180 10007180.1900 new_PC(40:5) 1396406.9380 1549160.1720 4218854.9920 3314424.1120 1963942.9090 1731633.7820 1203838.3890 1549471.0800 1676418.3190 1302655.3870 18133.0664 17313.8335 16434.9189 18235.0798 14056.3417 14116.6170 1877895.7990 1495950.9660 1741284.2490 1533363.7190 2429603.6030 1654285.6320 1530227.7540 1625642.0660 1837654.1340 1549519.2450 1109619.3490 1497558.1540 1194190.8010 2600981.8530 2278873.6320 1987706.4180 3265658.4880 1624929.9600 1257935.3580 981968.0713 2145477.2750 1540501.1500 2033811.6910 1391956.2660 2959825.9200 3125992.1020 977630.7305 2784953.8960 1673363.2610 1859883.7960 1919394.1470 1967096.5770 1270885.5770 3321252.4630 3104954.2610 1380939.2970 2943967.4050 3503079.8910 987870.9859 1233016.2490 1750941.2380 1838907.9910 2188245.8570 3439245.9900 2698559.2580 4460028.2640 1546736.8500 2954301.8090 1512878.7020 2283510.6070 1636341.1020 1696016.2780 962163.5072 new_SM(d38:3) 1140613.8610 2011675.6770 2233960.5110 1026314.2200 1241234.7430 354384.6284 372046.8473 359119.5885 431300.2626 663673.2489 6704.6371 6645.1823 6848.0999 8585.9737 8343.1806 8698.2922 1206056.0410 831669.8148 1025814.8590 936891.2058 1020225.5960 1130570.7080 1220681.7260 1369569.0330 918942.7174 319597.2936 371533.8565 254500.8956 378299.0063 1677291.6190 1342707.3070 2623673.8220 2113367.2120 917769.2622 294504.3373 424998.4915 355130.8279 372179.1610 755642.5536 1572360.4890 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422889.9693 1026358.1840 772702.4535 985159.6354 TG(53:1)>TG(16:0_18:1_19:0)_and_TG(17:0_18:0_18:1)_M+NH3_feature3 3802432.2540 7346031.1220 10878947.1100 10417201.6100 8008335.6750 34218405.4000 41847001.7100 29674064.3700 31775697.7600 22246799.6300 22048.4221 19208.1249 19320.3442 20859.3752 19782.0998 19978.3052 18735824.7800 18345362.8200 17752130.7800 16535288.5500 19637735.2500 20456229.8900 16304883.2200 19017721.9300 17968934.1500 13370940.9300 13960505.2700 22472731.4400 23714697.9800 8680431.3110 5929306.6760 9176844.7130 10735232.8500 10958377.3500 38598639.9100 20353522.0000 27238653.7800 18526362.9200 40379797.7600 7786652.7020 9728431.0950 10375589.6600 9241593.7800 7728563.2720 11439012.0900 8469978.6240 21846552.0900 28769958.7500 22611415.6700 6445206.1510 6073842.9180 5781293.1920 2774501.2220 9163457.7760 44061394.2100 45776970.0700 38700338.3400 36908393.9000 42151294.2100 11621636.9500 6987274.6890 11315625.5900 9845907.8880 7611938.9820 14696831.6200 26702516.8200 23713462.6100 28092326.1100 35471656.3600 TG(53:2)_M+NH3_feature4 15065379.2600 23191725.8000 25266695.9400 33628883.5600 19227850.9400 64090217.2400 52001315.0100 52050655.7500 73020724.1100 53896813.3400 23477.2830 24662.7006 24911.5017 23522.0834 24310.7255 24680.7980 41087426.2000 42254122.2700 38743833.4600 42422638.6100 28248605.1900 40767461.7300 42180442.1500 43969884.8300 38641557.1800 39749516.8000 37522828.6200 55747099.6300 58407539.1600 21481453.7100 7346144.9140 17098093.2200 22338442.0200 17495840.7100 60023141.2000 31435544.2900 56641361.1900 53017011.3000 98661713.2800 15241692.3500 23501509.7700 14147307.3400 14870581.4900 17703994.1600 26446727.2600 26014504.1300 39116946.1800 68889998.1900 49145828.4400 16397677.4900 17351843.2500 24060299.7700 10763041.3700 23732876.2200 103676678.2000 107605347.5000 40142866.7800 86356179.4500 81498336.1700 26361427.1000 17719380.9300 40468744.8200 31257227.2500 28622048.1500 35624239.1100 49700090.1800 45600786.2900 73715328.3000 93622883.8900 TG(53:3)>TG(17:0_18:1_18:2)_and_TG(17:1_18:1_18:1)_and_TG(16:1_18:1_19:1)_and_TG(16:0_18:1_19:2)_M+NH3_feature1 5240933.7400 7026726.9060 9662310.6510 12208356.2700 7170759.9270 15964632.0600 15965368.3100 19295807.3400 20715672.4600 23049980.6800 17730.6569 17329.9501 16908.3329 15186.4760 14017.6953 13686.6389 9880213.7050 10314545.6900 13720840.8200 13840580.4100 10939764.3100 10263736.3200 10082728.1700 12088995.2300 11644886.9700 8764344.8360 9094085.7680 16142749.4300 12094580.8800 5033790.1360 3803527.8820 3275285.3150 5629785.3400 4184397.4990 11399782.9700 10258273.0300 10654896.6700 13147801.7200 19338264.0600 2683314.0800 5363751.2000 2747960.3980 2996317.3710 4266239.5050 6465466.3880 8023465.6430 10448167.9500 15907187.2000 11117006.5100 2811763.6470 5123823.4580 4561892.5040 3121861.8250 7435921.1410 21106076.0800 17529268.5400 8554710.8430 25515022.6700 22879656.3700 8121087.5090 4421244.6190 13971005.0500 7526893.5670 6353698.4130 9078594.1370 14505681.7900 11460012.2400 24469176.8600 22364823.2100 TG(53:3)>TG(17:0_18:1_18:2)_and_TG(17:1_18:1_18:1)_and_TG(16:1_18:1_19:1)_and_TG(16:0_18:1_19:2)_M+NH3_feature2 807910.4077 1685236.0000 1518126.2110 1492178.1190 844708.0257 3659323.2060 3525726.2520 5230596.3620 6594926.0920 3631172.1620 20172.8348 20381.2096 19623.7238 21276.7656 21387.3323 21403.0998 2494526.5600 2618661.2430 2371592.9920 2499994.6250 2760109.3920 2814124.7830 2636521.1370 2852596.8140 2074998.1320 3191258.1930 2949040.0850 3719753.7200 3816772.8440 1024182.6750 782474.4650 822034.6257 975867.6526 579542.7849 3381741.9680 2099510.1160 3693470.5560 3486069.8190 6715963.6010 498222.8933 1265008.0240 480548.6802 631110.4367 953023.7138 1825710.6240 1887778.8130 1959730.2060 5206100.2270 3069129.2770 625984.2018 696422.8919 1111009.5920 550382.8683 1198120.8350 7311235.3580 7563035.3760 2258546.9760 5429959.9660 4740337.7890 1533248.5720 911383.5607 1784758.3980 1571165.8250 1403827.7350 2543597.2230 2652433.9910 3192753.6440 5466665.3720 5906118.9920 TG(53:3)>TG(17:0_18:1_18:2)_and_TG(17:1_18:1_18:1)_and_TG(16:1_18:1_19:1)_and_TG(16:0_18:1_19:2)_M+NH3_feature4 4348698.4010 4231750.9140 8355268.5660 12310573.3200 4445674.8560 38694966.4500 32905426.6100 27144944.8000 56330399.9600 22715854.5700 14546.4338 15114.2560 13818.7891 13889.8850 13505.5084 13640.9389 13826478.8800 17431474.5100 16403566.8100 15955214.5100 18358287.5900 17524500.3000 15918913.6500 17148409.7000 14018539.1000 17933852.0300 8986948.1540 16374048.0700 19703244.4600 4127915.9950 2394930.0290 2278929.6700 3436170.3340 3359573.9340 28235114.3800 9499994.6910 31330951.7400 23770247.3400 52447648.0900 2738782.3730 6617813.8340 1175066.9860 2022175.9870 2501962.3960 6007420.2800 6586020.3550 21498493.7300 40827921.4800 19182788.2500 2533007.2450 3416020.6760 4386640.7320 1950219.1110 9084416.2150 82591049.6900 56049646.3400 13955823.3700 63065460.9900 63481111.9900 6853380.9600 3118850.2720 12224471.4500 9019552.4510 5385674.9330 6893516.1620 16085435.1400 10861371.2900 32293395.0700 78500450.0900 TG(53:3)>TG(17:0_18:1_18:2)_and_TG(17:1_18:1_18:1)_and_TG(16:1_18:1_19:1)_and_TG(16:0_18:1_19:2)_M+NH3_feature5 23231893.9000 40517138.4800 45293035.1400 52327835.1900 26746980.2300 117947133.5000 78849729.7200 88724380.2000 139922765.4000 115880616.1000 23533.2443 22585.6157 22713.4893 25238.7523 22801.9143 23463.3740 57947082.1400 60337980.5700 54982237.6400 59834493.8900 62267262.9700 58434923.9100 60984784.2300 59294345.6300 55810430.6000 51275321.2500 47945408.4800 83422763.3800 67896226.7100 24770228.5600 18237062.8600 20532510.1700 28010476.0200 18314781.3200 77035444.3200 38375484.3700 102932026.9000 75642764.1100 181595948.8000 14911542.1200 31464274.4900 13830818.8600 13977845.5400 23255296.4100 36855029.3000 33436798.5300 53833864.0800 92354670.8400 65815619.8900 18700310.0200 22482862.3100 26325138.4900 17012266.8100 33823104.6200 215280012.2000 208308241.7000 43914220.9700 179360663.2000 164878812.2000 39123514.1700 23276480.7400 56404173.1000 44719943.6900 33928203.6700 39710607.3100 59251447.6800 61457622.9100 166959907.2000 186776457.3000 TG(53:4)>TG(17:0_18:2_18:2)_and_TG(17:1_18:1_18:2)_M+NH3_feature1 1561761.5830 2404389.7210 2769282.7310 2133391.9250 1989317.9390 6480828.2560 8141531.6770 7650549.7620 8842470.5280 8543052.1550 17860.7134 17832.8151 17464.9267 15538.0239 14074.2663 14718.7162 3874927.2520 4131989.1380 4645382.5030 5908644.5350 4201616.6720 4441984.4710 4054428.5540 4554052.4080 4352158.5260 5226132.0000 5161002.9830 8432422.9320 6286155.6400 1534681.7370 1509103.7370 1139742.4560 2317673.0090 1393792.7300 4909802.6600 3886664.1180 5102831.4960 5066578.5560 9075673.2040 971410.7273 1781135.5950 1013429.1850 946638.4178 1634199.8210 3041188.6210 3072928.1880 3588609.7330 6644940.3510 4666133.7350 913275.4662 1352752.7250 1804152.7740 1331112.3980 2559390.7100 10354540.2600 8706611.7800 4432722.2890 10137597.7000 10821075.7100 2673801.9020 1350697.4220 4020565.7680 2455378.1660 2687352.5830 4528684.4040 5927139.4350 4583570.1860 11491740.4200 10248158.6000 TG(53:4)>TG(17:0_18:2_18:2)_and_TG(17:1_18:1_18:2)_M+NH3_feature2 11479874.5400 25450837.3300 41223043.7600 43673228.7000 14292586.4300 59729753.3200 79206484.2300 99968329.4600 75377233.4500 82867963.1800 21898.7408 21217.8161 24928.8790 21773.4537 20806.7342 22575.9511 64183473.3600 56311937.6000 45646181.4100 59892841.4800 61978652.7400 65919816.9000 56843997.6000 57688342.6500 55067663.7400 67132853.6300 58392564.8400 88236898.6800 83887647.6800 16895213.0900 10241427.7500 11247233.4900 14179730.0200 8672910.0800 58319402.0900 46203378.5000 74900099.1300 85497659.5000 108644188.9000 4466507.1270 16538267.0600 7366825.5010 7267806.9770 11809064.3200 26113710.4800 43092666.9100 39321317.9500 112867179.1000 73619434.1800 8799408.9790 11458644.4500 17728906.2200 8887432.3650 21344417.9500 103902608.3000 84873784.2200 41305836.1900 96011264.9800 128952940.1000 27567436.9600 11918272.4900 50826473.6300 38225882.8800 21870473.0000 40186546.4000 58356488.9400 64197825.3900 142009831.6000 136028235.2000 TG(53:4)>TG(17:0_18:2_18:2)_and_TG(17:1_18:1_18:2)_M+NH3_feature3 11057530.2000 24820286.4100 26492406.9500 28418089.5000 12707501.3400 57296048.3100 48678259.6800 52714245.2200 79308326.5700 13193901.3400 15595.6482 15802.3137 18575.8986 20906.5899 19887.0903 20263.4600 38482801.0100 49302208.1200 41713032.1300 39070482.2100 44069535.2400 46814837.0300 41875512.6000 42013022.2800 41888648.9100 39204480.4300 47856764.0300 52879729.1900 69349978.4000 16408458.9600 10071168.7500 11342877.9900 13219880.7300 8973353.0830 28747746.1100 36005893.3400 55142651.2200 59217456.9900 60641866.7000 4848508.8470 14761547.2800 7335892.5690 7959864.9880 11421629.2500 24543666.1700 26571114.5000 32412114.6800 81391134.2100 48245082.5700 9026559.5580 11605175.4700 18264497.9300 9039413.5640 19200367.9100 46290493.9600 88259031.5100 27384363.1000 33205202.6900 52892152.4000 24895633.3100 10978539.6200 37297204.0800 29903892.3700 22339676.9100 43817896.1700 37739219.9700 46886483.6700 77782798.4400 45955445.5900 TG(53:5)>TG(17:1_18:2_18:2)_M+NH3_feature2 8248281.9910 13731340.0000 16435668.3200 13869079.2900 10710232.8700 28548281.9200 27106904.1300 35294377.0300 40089826.9000 29786852.8900 38589.7710 36776.0694 42449.1576 53160.2693 41990.9504 47018.8133 19797454.4900 20101097.2800 19178993.7600 20078394.2500 20967594.7900 23717401.5100 21946592.8800 13950098.1100 21421214.9600 18545370.2900 19977494.2000 23887370.1200 30110268.4800 8726923.9790 6627200.3660 9558584.1460 9906407.6760 7039234.9330 29491324.2100 16579732.8900 28839021.8500 29725763.7400 50443739.2500 6140786.9190 11020045.1800 4974402.6740 6162624.9200 7729174.8270 15970482.7300 12612110.0600 22518359.8600 34239264.9400 23414797.0900 7023380.1580 10655518.2100 9697232.2900 6131819.8230 6792524.6370 37708803.5100 53814540.8400 16219268.8400 32838702.8100 42920275.5000 15503994.4200 8195762.7170 17396417.6800 13238418.4000 12373198.9900 15454110.9000 18965379.3000 25826109.4400 30766046.0700 29619756.7100 TG(53:6)>TG(17:2_18:2_18:2)_and_TG(17:1_18:2_18:3)_M+NH3_feature2 7869855.0430 12224476.4200 17647580.9100 13711275.0600 10325965.5300 36208887.0900 37845616.5900 46817705.3200 61403893.0700 38031613.1400 88186.3839 40575.8100 34654.4366 55254.6769 40070.1927 42608.0858 23956265.4400 24080945.5500 22828903.9600 24108282.9600 24087029.5000 24558524.5900 24579173.6000 23297622.8200 23408892.3400 28176074.7900 27538169.9100 35280194.8100 35890893.7000 7806312.9580 6853053.6030 8492606.2250 9384875.5710 6099049.8620 37340285.9600 22008485.0600 31095927.8700 38554273.0300 70440542.2600 4529581.9100 11747152.3900 4895438.9050 4482448.0070 7688551.4890 19785377.5000 16594308.2200 20291127.4700 47816818.7100 29265055.3900 6943986.7220 8665148.1180 8643717.0170 6588508.8150 10831701.8000 69508359.4200 65550435.7400 24389348.2200 54477255.3400 50845964.7600 16245921.9300 8286013.0490 19629102.1800 13915451.2400 11490501.4500 19437896.6700 27925442.2400 29048107.1600 46263062.5500 47637778.7400 TG(54:1)>TG(18:0_18:0_18:1)_and_TG(16:1_18:0_20:0)_and_TG(16:0_18:0_20:1)_M+NH3_feature3 18339613.6700 35102540.0300 51328324.3900 64279267.2900 40182840.8000 125220912.1000 122883369.1000 88950153.7800 110187945.2000 99563813.9000 14408.5370 13342.1500 13860.4118 20100.3443 14976.0352 17185.6059 78169851.8900 80178053.3500 76201767.9400 74079833.9600 78645423.0800 78091129.0500 78285015.3800 82460215.7700 74462253.3200 70894704.2000 66085373.5900 109580671.6000 111630333.5000 52659319.9100 31199286.9700 40602563.8600 45157578.7300 42063627.5200 117504004.3000 77199494.4400 131182290.8000 77885214.4500 174899077.0000 30790530.3900 50376665.2300 41745960.0700 37284462.2100 37073699.2600 46652325.1500 41400120.8400 83161259.6000 131091777.6000 88106035.6700 33289480.3500 31483183.8300 31371888.5800 16175297.2500 55032389.0400 163715335.3000 198140922.8000 115756287.4000 156963631.2000 158091448.3000 50044311.6100 32039080.6000 67510858.0900 61132173.6400 39342117.2500 56348284.8400 86776532.5100 86465593.5600 122646599.5000 140223819.7000 TG(54:2)>TG(16:0_18:1_20:1)_and_TG(18:0_18:1_18:1)_M+NH3_feature2 208250590.8000 253880724.4000 193463449.9000 334331059.4000 123126100.4000 317049209.5000 351501985.1000 502631988.5000 435445449.3000 569891631.2000 20776.5288 22653.5349 20425.7848 14236.8723 13556.7296 17400.9133 264494139.0000 263793271.3000 170832077.6000 228852357.8000 285109570.1000 214988826.1000 237838496.1000 249500241.7000 239344069.3000 169475692.0000 162829388.4000 352080009.5000 4569874.9530 152307248.8000 142302500.6000 112683996.4000 209629232.5000 104391992.4000 387930860.8000 213143909.8000 227616521.7000 334978094.7000 572528279.9000 118896195.1000 129588058.7000 123074008.8000 130869950.3000 189055234.5000 210835468.6000 282604785.4000 310557368.3000 149565927.6000 353066086.4000 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39808976.1700 21034886.6300 37411559.9200 251304878.9000 93284701.6000 TG(54:8)_M+NH3_feature1 5016714.9910 8279587.6000 22447940.9300 13048176.3700 11890613.6700 11914587.7800 13577991.2600 18268492.0900 62899702.7600 14574827.4300 18463.6356 17114.3489 16617.1848 21521.3717 15098.3547 14302.2565 11388008.4500 13514503.9700 13557495.3100 9862953.5160 11487535.6500 12888327.0100 11560398.4400 14425271.8600 11106099.7600 6712566.8040 7120304.5760 9868470.8010 8643352.8170 3615899.9330 4465040.3110 6201983.1920 4448511.7850 3144730.2270 14675585.1700 8724721.7570 9022079.3610 13281807.7000 30250137.4000 2851321.4220 4537388.7150 2711032.7340 2355640.9100 4295542.7180 6045882.8000 3763043.5140 6855361.2870 11084185.7000 10770214.8400 3682725.6080 6639707.1350 4748134.7630 4819944.3330 8583837.4530 45822882.7000 43099088.3800 14646808.9000 26219343.7500 23656962.2500 18156289.1800 4771174.2880 15783812.6900 9604863.4010 8532163.3890 7543312.6560 19990547.1200 15546513.6200 52986061.4300 24587311.2300 TG(54:8)_M+NH3_feature2 6919877.4820 20372463.3900 32041343.9900 18751407.9300 15135389.5100 27689258.7800 30183206.9300 50233681.2600 62204660.0900 34322897.7500 22523.8523 22216.8980 21555.5494 31126.1170 25814.7224 24766.2680 29288793.2100 29400881.1500 25992313.6700 26670135.5300 27116664.3000 27647468.0900 32355764.1300 28483444.3200 26311478.0500 15789125.9800 38268043.3800 21857823.1700 23951083.5200 9407682.0110 10033995.5000 13445052.3700 11001109.2300 9155256.0980 36952106.9500 18186721.4000 26295871.7100 37393561.5100 64114595.0500 7576646.2700 14271769.8400 6763774.4290 6856624.2750 9884075.9330 19511022.4400 12070788.5100 19407449.8800 33133120.7000 23238431.2000 9736669.0660 13785716.4500 11974207.6600 10677279.3000 16121977.6600 204267415.8000 82744004.5500 28824383.4600 55692951.1800 53429407.5100 20600375.3500 12585966.9700 24117731.5100 18482720.9400 16225227.5100 20062881.3000 32419441.9800 29926780.8100 47951201.0600 46775853.1800 TG(55:1)>TG(18:0_18:1_19:0)_and_TG(16:0_18:1_21:0)_M+NH3_feature1 1390252.0130 2870963.1370 5364807.9190 4268757.4920 3057914.3960 17329844.2400 22562563.9700 15275654.0500 14311745.2300 10321772.6400 19098.8579 18212.7183 18283.0309 25469.5711 22943.1475 22401.2497 9364016.4490 8803687.4710 8772385.4080 8145223.3640 9736860.0290 9868588.1640 10947817.3200 10910871.2500 5816602.4810 6067938.1490 6669278.5910 10749656.4100 12603942.2600 3610421.2000 2837694.6400 4298324.1560 6359476.4870 6562595.6950 20096713.6100 14013146.1100 12928032.8500 8062318.3340 18711382.0200 5852453.3590 5511756.4730 6272346.9180 5376899.5650 3516041.4700 6543685.0070 2914548.3280 14056155.8800 12577657.9000 11986745.6700 2698015.4080 2815276.7000 1879915.6430 961237.0981 3989015.9900 24098389.1900 25682440.3900 23770447.7600 18970786.2300 19941102.2800 5473313.3040 3006243.0080 4224636.2960 3747409.8470 3097053.8340 7633308.3650 14486246.3500 13297220.9100 12138979.3300 16921529.2800 TG(55:2)>TG(18:1_18:1_19:0)_M+NH3_feature1 88513.2564 192804.3436 145840.0368 324903.8716 66571.7032 499483.5076 488386.4537 261737.3090 430271.4352 458115.8820 6599.8441 7246.0013 7343.1112 9197.0660 9394.7549 9577.4717 476954.5459 663910.2377 493161.9840 398656.9384 604254.1587 493772.8443 307771.1196 504272.7590 571555.2311 774873.0928 441185.4305 402779.6510 995734.2786 166216.9290 45769.2138 149317.7009 193664.8741 193195.4771 509191.5842 409301.9637 968996.0356 398434.2040 632260.6885 155377.3064 202797.7868 131160.3577 121423.6984 151700.3907 276682.3657 399171.3282 239170.1132 355971.2284 285239.6749 187737.7150 144548.4602 130944.3880 63477.2837 236567.9305 635271.1623 747962.8068 367800.6879 301139.7548 264012.6596 193392.0688 78168.1923 359688.8461 353998.8699 175595.1314 513067.0497 768095.9836 104645.1399 443058.0974 468852.4229 TG(55:3)_M+NH3_feature3 2927953.5800 5361555.5820 7996389.5710 9765261.4390 5721702.3510 31390799.7200 26684064.8800 22279381.0400 27907083.6200 19994939.5200 30139.7413 31523.5679 31703.4892 24136.0917 24088.1869 24390.1314 11657096.6200 15443688.9300 12283900.8700 14872834.7600 15722166.1800 14829863.8000 16214568.6400 12579962.8700 12104769.1900 14576329.4000 10226597.6100 20196831.8000 19522934.5100 3752893.4670 4055456.5060 5670185.4150 6596203.1380 7293597.1410 23864147.9900 11789688.5400 19318215.7300 17118773.6800 31644536.9900 4577517.6920 10239896.6000 5944687.6910 7604620.3710 5651014.8970 11368372.6000 9161108.2970 14571830.7900 22854044.4000 20570543.7400 4762803.0160 5379570.7440 5471823.3500 2527695.9560 5312737.4660 45714550.9200 38197567.9700 27529211.8300 37987812.6900 34864018.1700 5016906.4240 4792895.5770 9686435.7260 4677566.6150 5024861.4570 10249940.0300 20290355.7900 9174488.7030 29792667.8000 31394649.6900 TG(55:4)>TG(18:1_18:2_19:1)_and_TG(18:2_18:2_19:0)_and_TG(18:1_18:1_19:2)_M+NH3_feature2 615673.4714 1247074.1220 3025163.1480 2628606.7090 1313393.5700 9089927.8780 6935744.9920 16054734.9100 23510909.3500 9364478.5260 26467.2468 26053.4510 25439.4463 23029.4879 22734.9770 22683.9278 4309685.3130 4493634.6850 3652883.9610 4109956.6520 4087099.5040 3673329.9400 4206841.1960 5760063.3800 3222462.0510 4356202.0170 2746706.3620 11961908.3200 10435730.0300 932912.2028 604664.0713 450259.1740 525776.8300 942302.9728 13125911.6700 3059176.0530 11400784.6700 5979992.6110 23598013.4800 582196.8842 1164161.1240 420040.7054 1807010.0010 2497471.9540 2528830.3800 2382755.8800 3631054.5880 16006648.4300 11370993.7800 578473.6467 898123.7718 868439.9111 593011.2730 1614014.2810 28754111.8600 23992472.1200 3672124.8300 20866927.5100 22682058.7500 1784738.1280 608931.9369 3374836.1640 2011393.2220 1118317.9810 1426641.9110 3052409.2320 3942655.4190 12873122.8300 11674051.3600 TG(55:5)>TG(18:2_18:2_19:1)_and_TG(18:1_18:2_19:2)_M+NH3_feature2 4007698.8790 5723731.3180 7780241.2530 5444984.3760 3079342.2380 11466666.7200 10373755.9300 389206.1065 19524566.1100 7530658.0840 21451.8931 20886.8770 20126.2474 23212.8626 23356.2930 23396.3913 8411769.9170 7952627.5980 5253077.1950 9058610.6330 9148574.9630 10644902.7100 7236251.4800 7647488.4440 6954613.1510 7430943.1220 8304642.5090 12671842.2200 6913119.4740 4498553.3760 1988752.7550 2175843.5410 3900044.0920 2437416.5480 9245336.6530 8204176.6160 7687898.2960 7371595.3240 12133414.2700 2893241.8720 5249661.4980 1724785.9280 2277481.8330 4740968.8540 8051127.4120 7737061.6540 4240609.3650 15012990.4400 10494574.0400 2469967.3320 3575724.8770 3957000.3130 2017817.3320 4369187.6490 12830978.0900 18780365.0100 4249853.5830 8580248.3390 11070318.4000 5560825.5450 3734087.1310 4454730.9160 3834964.2220 3790594.2260 5937026.7190 5639111.8970 6883671.7750 18212427.4800 6222908.5950 TG(55:5)>TG(18:2_18:2_19:1)_and_TG(18:1_18:2_19:2)_M+NH3_feature3 6816078.2080 9238487.5370 11859832.4300 9302608.9830 7918401.6940 12167681.9100 18370073.8300 18063461.5100 14546575.3800 14424215.2900 19754.7143 20628.3770 19606.9764 23694.5184 22649.3246 22133.4350 10072068.4800 15404119.4700 13452096.7600 13289740.2100 12866511.8200 9651487.5640 12880552.1400 11717809.7800 14428834.7900 14645939.3100 13998544.7400 9361535.1510 7519175.9560 6538695.2270 5750785.7010 7362287.6240 8876286.6240 5744414.9270 12787933.3200 13228686.4000 14590555.5600 13450085.5700 22767363.8100 7430737.5090 9134837.9310 5959577.5840 5675701.2950 6885562.3420 7287480.3980 12429121.5700 13191840.3300 14169202.9600 8843263.7570 7687743.4810 7171527.0440 6187352.6120 5261759.9230 12212406.3300 23132206.9400 15384306.8400 14054174.2600 17524718.4500 19202961.5300 10393023.3400 8097990.8880 8712268.2550 10065354.0500 9372404.8480 13943357.5000 8792004.3060 9230394.9620 14257782.7000 14825229.8500 TG(55:6)_M+NH3_feature1 2197479.0960 4356824.0340 3020124.0130 3083515.9200 2919314.2520 5431925.3840 6862195.2990 5138168.7130 5545694.4510 4997823.1790 14865.8121 13703.8334 13469.4226 15767.0213 14556.6001 14582.7080 4565797.3590 5372896.0110 3440532.1070 4941219.9820 3466770.5820 5249825.2940 5525672.5890 4287085.1590 4181394.0080 4918572.8810 4836369.5350 4128471.1540 4179274.0450 3051036.8260 2568539.1480 2991764.5420 3348358.8250 2773301.5390 4449680.4650 4402499.5240 4312885.4230 8857329.7620 11015659.5900 2124095.1590 3770596.6260 3185789.9280 1714330.1010 2516663.9110 4679049.5280 2869823.5030 4341023.7240 5541619.0460 4428972.7060 1367798.7800 3434810.1850 3462187.4200 1523257.5990 2744319.9470 9556121.4660 5310816.1450 5523814.7650 6909902.1170 7511868.9890 3525721.7860 3218943.8920 4968487.2490 3106841.2000 3297143.0010 5983597.6560 3282116.6120 4538592.6860 5526364.9280 4093057.7950 TG(55:6)_M+NH3_feature2 17011802.8600 18121219.3000 30615531.0000 10905944.5500 18936409.5000 46120993.8400 49428985.8300 74961530.6400 75949701.0500 43659429.6100 41771.6645 39739.8316 46025.8001 46882.7873 39208.7628 43803.0071 28206170.0300 42408440.6500 34130534.8700 40326239.9500 31575910.0100 36177888.9200 35601960.3800 42227642.2900 28915983.2200 45188428.0900 47821106.7600 53498578.9400 51933972.3100 15391014.2700 11225267.6200 10804051.9800 18557253.2000 12146939.5400 66400850.8300 34421309.4800 40740882.9700 57211459.9300 100388248.9000 4496188.2290 16683381.2700 8514268.4180 9176936.7470 11315055.4200 35207267.6600 26730157.1400 48749713.1100 47976645.6600 47632569.5400 11058421.2200 14751868.0500 14395211.4800 10217739.5400 19621048.7700 87569042.3500 71451970.5000 31771697.5700 88981706.4400 75597657.4300 18558305.6700 13234170.1600 32274503.8400 25079710.3500 22315150.0400 35433877.7600 43419039.3300 56490832.8000 72082232.5400 69319837.7800 TG(55:7)_M+NH3_feature1 9636330.5640 15981461.5200 19829486.4500 15052733.9300 11998860.2900 32286322.2200 32167375.2100 46824070.5700 61847099.8200 36982327.1400 39038.2172 36724.1599 35920.5372 45402.5004 40556.6939 40380.8409 24942170.0100 25845825.4000 25916623.1300 25973719.3000 27082206.7500 26507958.4900 25590108.3100 25798094.7400 24895963.1600 23931180.4200 24342460.5500 30329818.6900 31928875.6800 8187840.9560 9423201.4780 8457834.7050 10145509.7400 8776585.8620 36980390.4700 23056624.0900 26011186.5900 36818673.6000 61727817.7900 7393558.4300 13047357.4000 6973902.4990 7342507.0930 9527259.8070 20960870.3700 16407532.1800 21348908.5700 39504926.6800 26573266.8600 10892491.2300 10959127.8100 10044039.7400 9626064.9060 15281269.9000 66856005.8200 71170643.0000 24417289.1100 56535284.9700 49006855.9200 17360367.5000 11830096.9200 20624892.1000 16245658.3900 13039127.5700 19179766.8800 27696452.1700 29639849.0800 46702976.5100 48068553.9200 TG(55:7)_M+NH3_feature2 1621333.7680 3188874.6220 3905534.8490 3736715.0080 2459396.7030 6379942.7900 6882356.9970 8116794.7490 11881198.7900 7470274.4860 18230.8534 17500.5735 16467.2641 18005.0035 16838.8128 17651.4105 4728058.8170 5398178.6680 5402202.0880 5275568.7610 5212718.9360 4790932.4000 5525666.8000 5327827.3400 4856115.1760 5044295.9770 4563373.7710 6674509.3620 6210723.4940 1793911.3600 1772460.3000 1826336.5970 2326757.9000 1670937.5120 8147176.5390 4188891.0760 5740507.1210 8171627.2750 12497750.4900 1290285.5260 2748701.7170 1445040.9300 1052466.6720 1834784.6220 4303171.0960 3095102.8040 5181831.8640 7829379.3840 6014460.2060 2060893.4480 2239064.9020 2187884.8710 1939109.7090 2986530.0290 14355204.4100 13726351.3000 5325318.4980 12312362.8400 11406272.2800 3710556.7230 2465071.9640 4468990.6480 3426701.3610 3042742.8610 3603480.5270 6433647.1810 5878810.7360 9775611.0680 9883333.6660 TG(56:10)>TG(18:2_18:3_20:5)_M+NH3_feature1 12183322.3500 24251305.8000 40509484.4500 17648890.6900 16652143.0400 8470077.9110 11469211.5400 12027215.0100 16654926.7100 10407500.7400 27477.4719 21944.9929 22270.6898 44344.2577 21855.8117 21408.2596 14171575.2200 16201173.8000 9376708.7680 10983882.1800 9648158.5960 13420254.2500 10479243.8700 14093873.4200 14855929.4700 9260347.3580 6566050.9650 8836382.9310 10136956.2900 7839850.3340 12344656.3900 10332453.3500 9667418.2920 9308183.6330 11353037.3500 6994165.8320 9471183.5280 9963679.7940 10054743.0800 6615617.1230 11247298.7200 8069669.5160 6935038.3760 11308350.6200 7063129.2990 5145522.1040 9081913.8530 8992893.2200 7260084.2650 9497949.9340 16834065.6800 10890229.3300 9153308.6100 22322655.5600 28892814.2900 23649238.1200 12338633.6100 12637100.0600 10774556.5800 37823071.8000 13270607.2500 21299098.8600 14036741.3300 12785319.1100 11720813.8900 16454026.1800 14738585.9700 16658579.3000 12924191.1500 TG(56:1)_M+NH3_feature1 4088615.2810 8824298.1530 15038500.4900 16346015.0400 10283960.5600 44101941.5000 44587660.2000 32005136.4900 34593676.7800 31994413.8300 16434.6892 16058.9797 15274.2020 17677.1857 17259.6803 16907.7202 28397615.9900 27461430.3500 25011510.6100 22711921.7400 25652960.6500 26558096.8200 29200182.9000 28619697.1600 24335239.5300 17775022.2300 16964459.3000 29515559.2400 27533293.1000 14562326.4800 11544844.7700 11361954.2600 18567994.7600 17796641.0000 44913496.1100 37244504.0200 36068768.5200 24018390.6800 50511544.5200 13764992.4600 18908319.2100 16935328.9700 14464868.9300 12169110.3600 16182977.4900 9743053.3670 38711592.5600 33968705.9600 29726157.5100 7875745.1070 9440294.2740 5802500.9580 3995749.4840 15751762.9900 62434276.4200 62119271.8200 49003905.5700 53655721.6700 54027480.0800 16534858.2200 9410203.5970 17081246.6500 15082146.9500 9752535.8550 19401423.7600 37780358.6500 34179920.2300 37993700.2800 41322368.0400 TG(56:2)_M+NH3_feature1 627620.9521 1358908.1650 2777611.8920 3193349.4000 1531147.7980 7720700.4160 6048074.4740 4591148.2300 5053273.9050 3193738.6280 13711.6856 13221.4466 13586.9709 12431.6150 12745.9639 12289.3515 4954813.5370 5243253.1060 4779434.7220 3528052.3310 5038593.2260 6034040.6160 6625878.8290 4267548.6500 3949992.4880 2761099.8570 3582069.6670 1282657.1980 4605104.2930 3048718.1980 1697171.0600 2066556.2360 2643775.6340 3285533.4450 8895272.8900 3957211.9750 7266362.0170 4871028.0380 13532848.7800 1780861.6470 3812113.4270 2581811.0550 2032216.2230 2395462.8940 3905863.5720 2770453.6800 4110672.5420 5464571.8470 6348411.2330 1064478.2840 2597020.8730 1611934.3950 584508.0525 3234254.1240 15301644.4600 14254174.2400 6328592.9310 14907814.1000 9908622.4860 3562262.2470 1792328.4680 2826438.2970 3440447.5560 1491241.2830 3245293.5610 5510668.8800 4054766.9410 9126188.3470 6496031.1180 TG(56:2)_M+NH3_feature2 13434125.1000 34144655.8300 53555191.6400 58910645.1500 32757557.8200 149906804.0000 139779951.6000 110681931.5000 108759230.9000 111066604.5000 16504.7905 16013.4386 15919.4940 18726.3584 16652.3445 18771.2313 85876865.5000 85065067.2400 79938058.0400 79816220.0400 86736471.9900 89645557.4400 83950804.3200 87963366.2100 78737685.0600 54644424.8900 48430359.4100 88847421.5900 88460047.9000 54074958.8000 31778992.2400 41187217.3000 51680031.0200 69856226.3700 145290998.2000 86945535.2700 140416130.8000 68655954.8700 205686522.7000 45381212.3300 51995979.5300 57912618.6500 47101913.2300 36147216.9500 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100403755.1000 116319413.5000 92604710.0500 131117221.6000 159058846.2000 150381002.3000 TG(57:1)>TG(16:0_18:1_23:0)_and_TG(18:0_18:1_21:0)_M+NH3_feature1 866418.0974 1848062.4110 4071751.0500 2559297.0270 2028869.9370 11982600.2200 14785933.3200 10671139.0000 9723026.5080 4733653.9410 21877.9500 21229.3564 20954.8356 27154.3099 25597.0686 26112.9097 6789214.8200 6454776.8210 6117478.0630 3749264.1100 6810184.2540 4972673.5140 7426891.3720 4461245.7840 7416904.7550 3597590.0320 4594206.5710 4556251.5800 6947586.9920 2299150.9840 1313692.5570 1898544.0520 3270877.5910 4449978.5680 13245285.2900 10392529.0700 7700502.2070 5693366.2470 7779625.8600 3871972.1530 2622863.7480 4515077.9060 3798100.7910 2603808.0040 4220622.5930 1499258.3150 9906824.8100 8236850.6390 7655865.0940 1787518.7200 1292347.2100 811555.0441 542728.2642 2129458.3820 10687419.8300 10811483.8200 16786072.4400 12407488.8600 13460156.9600 3736019.9310 1907445.2840 2964087.3730 2614891.9560 1716913.2060 5143494.9180 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TG(57:3)_M+NH3_feature1 1820693.9550 3690958.3210 4055883.5400 4515870.9520 2897973.6790 13719743.4000 11193658.6000 8049321.5590 12833253.7000 9386984.6210 25775.0766 22440.3726 22557.0680 23267.9862 22052.1827 22256.6370 7746448.6940 7481358.3440 7726053.0110 7374795.1950 7566911.6600 8224094.3050 7257508.2580 7787732.7190 7533222.0140 7170526.1920 6368757.1840 10889159.1400 10631403.2400 4132729.3120 2970929.3440 2971363.3770 4873161.1810 5005845.3010 11693885.3200 6767053.8620 10022634.0500 8227392.8430 16054935.2200 3300793.2880 5382377.3140 4085244.9480 3161698.3560 3416784.7010 4759667.7470 3377926.1150 7419118.4650 11479397.6200 8790265.0500 2735192.2730 3244276.9720 2876103.5460 1708687.0710 4468147.2140 23187410.8800 20329322.0900 12670342.3200 16318976.5600 15877023.0100 4291872.7790 2815525.4010 4338139.9300 4385188.9590 3220351.7780 5518662.3700 9702534.4600 7717819.7930 11130503.9800 14586002.5800 TG(58:10)_M+NH3_feature2 608188938.5000 867871203.9000 982339344.5000 401151252.7000 759507880.8000 380426896.4000 604157337.2000 601173877.1000 636364602.7000 471427998.1000 17219.0014 16966.6940 16270.8586 22046.1309 18117.9644 17728.1257 622665123.7000 676186630.2000 648286989.4000 670757665.7000 665272557.9000 679982124.6000 673339694.6000 635967542.1000 634199519.9000 478416900.8000 448286601.1000 429223359.3000 460485857.4000 776462424.9000 802222755.9000 838870985.0000 776516679.6000 809867697.9000 627748985.4000 576445197.6000 597874090.1000 690598455.0000 628214428.7000 555773400.1000 1108786207.0000 880250749.0000 744367070.8000 876343035.4000 737102338.8000 402581326.8000 578606266.9000 576703169.9000 501852333.4000 866106831.6000 714981353.8000 425215407.5000 728727239.5000 638187151.3000 718802720.9000 589929410.4000 612592389.5000 599780112.4000 639633131.6000 834451494.5000 776234905.0000 491378451.3000 650854265.4000 649195450.1000 615102065.3000 527457606.3000 695533426.0000 456913087.3000 362445303.5000 TG(58:10)_M+NH3_feature3 30532544.2600 46849997.3900 59108159.8800 26861950.2900 54828311.3100 65048480.8200 83851572.5100 108675098.1000 113672907.6000 71054763.7700 14905.3301 14797.0425 14599.7394 18017.1185 17032.4690 16265.8114 50781499.0000 55678702.5900 54490603.9000 51109681.7900 54294987.8300 56754420.6100 38145771.5900 59644373.1200 56062314.6200 41122197.9900 47475761.9400 44708869.1900 46534353.1300 27225384.5200 22559298.8100 31790052.4800 37494212.0600 27327208.3700 78758641.6900 53377511.5700 62187704.7500 83002695.1200 140993334.3000 18233391.4300 37572935.1800 21335535.6700 21643731.3300 22540590.6800 66354459.7500 36962509.8200 74011921.8400 79979367.4100 56879156.3600 36724688.7000 32357622.8700 24414859.5700 32686114.9700 2105204.5520 109379076.7000 85302083.8400 67317821.3700 100511788.8000 104943456.4000 2421619.7530 40271195.9300 1084234.0460 375735.4293 32356009.0200 46016649.3200 41559529.0100 57598983.9700 55602775.5700 45525652.6000 TG(58:11)_M+NH3_feature1 144421138.2000 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TG(58:1)>TG(16:0_18:1_24:0)_and_TG(16:0_16:0_26:1)_and_TG(18:0_18:1_22:0)_M+NH3_feature2 138870.3749 261047.1098 403625.8881 522619.1215 467385.9824 801473.2279 950477.2935 1051075.5090 746553.7269 839298.4929 15235.1116 14644.2560 14152.8765 17124.2419 15920.8570 15177.2446 595577.7461 544360.1684 698955.1150 740469.4005 566075.0818 608319.5081 460480.9334 708103.8292 639357.4614 409679.8557 421863.2091 1191664.9330 985982.7580 506186.7925 548289.7994 348477.8134 537030.8327 733615.0324 831156.2431 1277658.0440 836794.1691 492223.0134 780136.0503 398658.7516 617008.4815 601549.4951 523846.9499 496307.4927 409305.5713 486880.9871 1263846.5270 786873.1399 547260.1484 233894.5045 302924.6841 73714.1235 141273.2638 715772.6267 975793.2716 1121275.6750 1453924.2670 1239385.4860 1225256.1220 370694.7051 287218.2394 393389.3725 518534.1665 276006.4861 550002.3899 917127.0872 865812.7444 785958.4273 881221.7729 TG(58:2)_M+NH3_feature1 1055801.3170 1561542.2530 1931923.3580 2944434.2040 1566509.9980 6837966.2130 6395031.5800 7132288.2120 3348713.2730 6945925.4520 10383.8647 10303.5434 9876.6945 9968.3365 8807.4324 9176.4838 2555511.2590 3333049.2940 3684225.4390 4177714.2620 3298601.7560 3394569.9850 2000668.8610 4078607.6850 3229765.4580 1945788.7860 1326278.4220 4007627.7650 3045830.4710 3391320.6870 1844050.7880 1749704.5980 3299471.6440 4572823.7180 7044745.1440 4450077.3360 4918856.7190 2466946.9160 4997783.7750 2198359.5380 2604016.2280 3802554.3820 3320792.9370 1641766.5630 2021124.1140 2473708.6130 3790880.1520 4262269.2180 3901318.2460 1260315.5310 2542118.9570 1388466.1050 805873.9374 2853340.6920 7153998.4620 5641302.4920 8932298.5790 11016255.0000 11008272.1000 2553049.3170 2043710.1850 2865031.7350 2505398.9930 1214319.7330 2857709.7790 6538304.5010 2627442.0620 6152945.9190 5438097.3160 TG(58:2)_M+NH3_feature2 7012662.5200 15916968.8700 27174142.3800 32262077.9200 12760557.6300 78350913.6600 67477644.5000 47808192.7300 39658649.5600 59390595.1600 16589.4119 16408.5884 15617.2597 18391.2296 17828.4376 17334.7866 30713204.6100 41890568.8200 40533152.7500 40567976.9800 37522349.7600 33353803.8000 42413402.9300 41934234.5900 31571271.9400 24492751.2300 20963748.9300 43633268.5200 35929324.5300 23949641.5300 19122530.9000 18668708.6600 31261583.9200 36657411.9800 75582466.2000 47299876.8200 59513937.9600 29369646.8300 85127526.8600 24271604.6800 31019265.7000 28971225.1300 23338948.8100 19030554.7800 24700595.7000 12293415.3900 51210530.8600 45662611.7900 33464438.8300 10709567.4100 17182617.4300 10375041.4200 6371429.4930 29058898.4700 109880631.3000 87088740.6600 78039584.8300 87823968.0300 87888524.8800 30100213.1500 13556523.7100 33179299.3400 23943255.5400 14466311.3100 26167976.9600 67176711.4500 34777177.1300 58308339.2100 49711432.3800 TG(58:3)>TG(18:1_20:1_20:1)_and_TG(18:1_18:1_22:1)_M+NH3_feature2 8997896.7450 24627264.5600 33497481.1200 45350963.5000 23110811.1500 97410445.4400 74471759.7700 56228268.2800 74861712.6100 90456758.6900 18400.7321 17036.3841 17695.5510 21264.3583 19013.5368 24068.5612 57465600.7700 58086623.1900 58936889.5600 59501434.3500 60930388.9700 59024086.3800 61654406.2800 58496907.2200 55434700.0600 41989904.4300 38571595.5000 63147587.3400 66869443.8500 38532056.7200 25737149.8800 22310208.3200 34394355.4000 49526546.0800 99941994.2900 51877312.6500 91244622.6300 53181589.1700 139413266.4000 27685171.3800 40035545.6800 33863387.4600 31314362.0000 23574520.7100 29541822.7800 23347323.3700 60336419.8600 77746610.5000 63677749.5300 14920210.7700 31715534.7300 15020447.5400 9441891.3750 40145369.9200 160009349.3000 147021278.5000 94006248.1000 137783739.9000 139019062.9000 35995222.0000 15883944.5500 45435202.2100 38636953.6000 21986568.3500 40331182.1600 76474970.4400 61675850.7900 89326493.6900 93972397.8900 TG(58:4)_M+NH3_feature2 3665190.7550 5754987.2300 5377216.1430 9928342.0430 4385823.4240 13707151.7900 10056708.2700 9353207.0200 7095936.4570 15022831.9000 19445.4931 21284.0682 19318.0157 16632.4733 16094.5928 16082.0920 7600152.0670 7885005.7800 10955519.7400 10867186.2200 8066440.4170 7673736.3920 8245221.4820 9108690.9310 9117174.0680 10390751.8400 9120009.1030 15982140.0100 11905626.3800 9458358.9920 4982836.7280 2973901.8600 4703010.3890 8280705.4070 11576572.6200 8885147.7560 11310631.9000 8371600.5180 8531774.1260 2797782.1040 7861022.3240 4922557.8220 4721007.5120 4758199.9710 5448899.8170 9707898.9820 7754191.1100 13042303.4200 9936305.8790 4786545.4810 5656087.9250 5100966.0150 3607922.6600 9228310.6100 17128802.3900 15009917.4900 11229756.7100 22146300.2300 18452578.8300 5245650.8690 3755521.0800 10126926.3800 8329292.4610 3602782.8800 6359954.1920 10194210.3800 3799396.7000 7777628.4160 12243499.1200 TG(58:4)_M+NH3_feature3 307381.3792 346949.2681 1130007.8180 638478.7786 555476.9277 2053810.2830 2743732.2320 2726038.1960 1394100.3220 1777428.8460 8466.0726 9150.9413 9258.2849 10049.4300 10241.8700 10416.9654 1475660.7590 1176438.3950 1186701.8740 1137504.8490 1186082.2410 1571208.2020 1368026.2910 1051108.7930 1340514.2150 903232.3466 1369820.4190 1139753.3810 1335556.2680 402243.7017 630967.3965 800573.7788 1498423.2470 921451.6089 1898645.2650 1903522.1760 1334557.6400 1147458.8330 3612464.5000 959727.4850 871011.7211 1031566.7440 996249.1924 776998.3950 1014864.5010 669305.2455 2128162.5480 976565.0010 1238189.2060 428983.8223 472653.0259 325874.6686 163687.3930 608025.3941 3092736.1000 2760356.9830 2471365.9760 2136887.4580 2362435.7090 902810.0063 715941.1691 505094.3028 525214.5536 554639.9680 1109907.0760 1856064.9360 1605144.8720 1622884.0020 1009506.9000 TG(58:4)_M+NH3_feature5 7227702.0430 17334272.0400 26083346.3600 23943199.8100 20156792.8000 74535245.1700 57868605.6300 46673349.0900 46970961.6800 56146007.3200 15227.9578 15115.7929 14439.4175 13915.0137 12478.2778 13161.5379 35627303.3100 27485000.5000 40812407.8400 39711331.0400 38553485.1600 39719868.3800 24720591.9200 35214238.6700 38570112.5600 23825699.1100 24159570.5300 39604385.9900 34672415.9200 24252319.1200 17375568.5600 21381997.7200 25156382.3400 35371844.3700 66333524.3800 22356889.0200 70623860.5200 27305706.5500 91846926.7000 16480049.8300 28876614.9600 28034509.4700 19968535.8900 16155387.9600 25314071.9100 22048362.9100 33848434.5400 59150871.4600 37963451.6600 10862365.2100 24439712.3500 16198970.3600 7128075.6490 26765757.7800 108955398.3000 99735867.7900 67784104.7100 67014185.0100 89482410.3100 33610975.9900 16660895.9400 31921694.9100 22770312.1400 13278497.9100 25037762.6200 58198666.7100 37233015.3500 60286554.7400 43334857.6800 TG(58:5)_M+NH3_feature2 13412217.8800 8588302.3550 6853586.9460 21148765.9000 10589547.1200 46988407.3100 49240552.6900 79872794.0300 59732494.0900 78858256.5900 21076.5022 21387.9213 20004.8384 16654.2786 16423.8204 16369.5899 23899837.2600 22413530.1400 30768158.2600 32107403.7900 25579166.8000 23576133.9700 22158962.8000 27494998.5900 27377778.0100 30885321.7200 25407656.8500 39505371.9400 26813583.5900 6930394.1150 12113977.9600 2887915.8750 13242597.0300 7407615.6620 48463453.3700 33480006.6400 33100208.3600 43627400.0100 89604371.0900 4436488.3050 14677021.2900 6813859.9090 10663272.7400 6132914.3740 25640138.5600 26656335.1200 48518716.5800 46404982.1100 42513999.3200 6152639.5940 7064460.9330 11267522.5800 6115665.2360 10073379.6500 51822289.7300 28411810.0600 23669361.7800 78107343.6500 70389696.7600 6609540.2830 13924510.6100 14596411.0900 8459001.3680 7410331.2410 23839080.0400 15526118.8500 33217010.5500 57056229.0900 34249825.2700 TG(58:5)_M+NH3_feature3 446866.2441 585565.5751 1084763.9400 447714.9670 457568.8129 590152.9421 153539.6752 227422.3664 954690.0590 206010.1199 8600.7391 8381.3645 8378.1394 13153.7604 11885.8548 12495.2216 1026760.1630 948745.6343 818112.9568 626778.0716 1068485.2350 1147703.3820 902348.6637 925216.9595 856571.5858 858031.6158 1023728.1600 541807.0837 925811.2626 432819.6677 361759.6805 540062.8282 501779.1097 429876.9168 1004280.2250 311992.9166 1086103.3850 1097878.5580 2661263.7930 657727.6262 678032.1337 674124.0583 436087.0404 399075.4819 799165.5586 667915.4965 941991.8857 960369.8465 823285.0505 655279.4445 451120.7393 444634.4118 452147.2074 508671.0446 910471.6578 1861630.9810 1145649.1980 230878.6059 192295.9368 606429.0879 435866.4742 509425.6866 732105.5049 394687.9349 285868.2770 414472.5914 265745.4111 804060.1247 434057.9773 TG(58:5)_M+NH3_feature4 11110187.4500 13536717.6500 16759567.5000 10508412.9800 12883246.6600 23227060.4100 18792623.7200 21596223.2800 15016739.9000 20273881.1900 17599.0766 18577.6751 18288.1004 18194.7328 18109.5925 17944.7250 9654427.4880 8469353.1340 11916644.3000 11000979.3700 10730810.9100 8160909.8610 9847059.9380 10876956.5700 9679192.3900 13108491.1700 20898793.9100 14837891.8900 12915639.8200 8654480.2980 7144802.5400 9509608.5270 8711216.7210 7855824.1870 12570251.0100 13492015.6600 9377887.7200 11020618.6400 22734950.6600 5952968.8710 8252892.0210 7668048.9300 8121652.4960 13651253.6200 9782920.9160 7571852.5400 13039953.9500 14304208.4000 8633020.9460 6834817.4720 6978480.6010 5984374.0190 5271883.2310 7080019.9010 15429030.3100 19144676.9000 12806432.2900 22334815.6300 20039440.6900 8082258.2350 8931090.0100 7023520.1890 9454448.3590 12516188.3000 13018114.4000 13776745.6800 10553726.2500 14943336.5300 20840474.5000 TG(58:5)_M+NH3_feature5 745640.4649 2803843.0710 2060290.3070 7383216.4390 2159242.6800 10299343.8000 6757174.4280 6895751.3480 11903503.3000 10316481.1400 15355.6388 16377.5892 16483.9614 20591.1598 20206.6434 20463.8887 6025898.4140 5594265.1460 5847867.4260 6613768.2140 6174767.5990 7242247.7930 7752502.8220 4517114.8660 5283568.9180 5693455.8330 5642108.5350 5822702.6230 8553495.2430 3395920.5960 2166410.9730 1552876.7020 2050585.5610 3103186.0620 8785116.2150 5765526.0780 11738396.2600 9508919.3850 16316541.4700 1256153.2640 3501324.2530 1672065.3110 1195334.2330 1359006.3300 3916186.9390 4211559.9130 6953426.1000 13977092.7800 9119382.4110 919342.8216 2361871.9270 1629999.7170 587359.1680 5113114.6170 30745250.3400 18874486.4200 6192198.8680 20668478.6500 12324924.5000 3505535.9610 1624262.4810 5083883.2500 4244448.4010 2175702.2430 4053800.8800 7492062.8650 6690006.9340 11755251.1300 12889368.1200 TG(58:6)_M+NH3_feature2 85240539.5200 93277916.6500 105642253.5000 115384776.0000 92384724.3600 159756242.4000 183592058.8000 238975201.9000 196945976.9000 221882816.3000 27793.5844 26859.5607 26495.6544 23526.8659 22438.9390 22388.6817 113487049.6000 110224945.1000 139393822.4000 150046883.0000 119681528.0000 112876830.5000 111969980.9000 129934836.3000 124819903.3000 120355991.3000 122824986.9000 172178978.1000 134181086.7000 75240369.7200 71738553.1600 46971710.3500 77698214.0500 77648984.7600 158587694.9000 150885003.8000 122769106.1000 143330437.4000 185504646.6000 49339452.6100 81760954.2400 58434747.0900 67238252.5800 66031983.3300 120784011.6000 122039318.9000 149349903.4000 156624384.0000 145130509.8000 69809737.2200 72190447.8400 65053651.5200 70476067.0000 87398513.2800 155067982.9000 152622034.8000 123802799.9000 250577672.3000 234157579.2000 64914567.2200 80592070.0700 102842045.4000 92176207.1900 75643196.6700 117950224.4000 125773964.2000 125007855.4000 203661840.4000 150968587.9000 TG(58:6)_M+NH3_feature4 5790409.4810 5762758.5470 7380055.1180 11284298.4600 5814593.5540 46750966.3600 30281559.3700 86162994.5400 98184154.9700 54384055.5200 18575.3250 18970.9937 17515.6372 22639.1874 22788.8541 22395.9612 22951549.9400 21127698.1600 26649597.3800 21871869.6900 20080925.2500 23788828.8400 24429228.6500 23858545.9600 21384940.2900 22917383.8000 27872238.1400 32255638.8100 37096805.6100 4894892.0200 3268917.7890 3117661.2170 5201068.1670 3348220.6900 45369557.6500 21794560.9800 30977685.4400 69366444.7000 101858709.0000 3942312.4970 4981895.1140 1812028.0260 3332688.8300 3228583.5160 26681193.5100 33928024.7500 56460074.0200 47160108.0900 45806735.4100 5658316.3740 5209166.3740 5524844.0900 4679982.8220 6192673.2110 52174763.6900 30431590.1900 13587231.7700 55561175.6500 66295288.4300 6193452.5980 5193755.3880 8302067.4320 9902447.2170 7722596.2380 14114951.9500 12109679.8700 36599570.5600 41307757.5100 28970850.3700 TG(58:7)>TG(18:0_18:1_22:6)_M+NH3_feature3 79820884.4200 96307839.9100 122104188.1000 100924396.0000 103984401.9000 265119307.5000 323222616.1000 504127832.3000 505691248.1000 167986660.2000 46102.9992 41629.2744 40505.6901 31048.6308 29263.6267 29145.0195 203532240.7000 226048597.7000 218181303.4000 185322460.9000 163856322.1000 175016890.0000 174948570.1000 273354644.1000 191674585.7000 212148938.7000 92420612.3700 253832217.9000 208080510.9000 73912850.3000 13063488.6600 11597604.3400 90282921.1600 21106071.6300 295059734.9000 172570795.8000 179508243.6000 278852212.4000 369879078.4000 15937037.0800 105401445.6000 8423761.4270 55250910.5500 70837537.0600 67079810.9600 208480845.9000 222853888.1000 302517116.9000 271838599.0000 56533293.7200 33594398.3900 45035939.4700 20584574.7800 48861793.6000 374742745.7000 258298944.6000 238755696.8000 468767104.6000 262552829.7000 119381575.7000 77263801.4500 28197020.7300 114415655.3000 70026729.9400 150876171.8000 194075327.7000 199146471.8000 282563065.3000 191316462.5000 TG(58:7)>TG(18:0_18:1_22:6)_M+NH3_feature5 9911856.3770 18694358.3900 29099721.5100 26459354.5700 18492430.9300 24134471.5100 39349087.2500 41282032.2600 45964696.7300 38909058.9200 18400.4089 19141.2332 17521.2254 18805.9748 18297.0777 18492.1790 27588387.5300 32239677.4300 27011206.5900 27807717.6300 29089723.6400 27469839.9600 27641735.4000 30079078.0500 29314451.9200 24911152.6500 24743744.4000 32228075.0900 31603124.1300 15568691.4900 10635174.4300 10721922.1300 15391480.2800 11200493.4700 38340719.8000 24163587.3400 33502690.7900 31058057.0100 58118288.8200 9314760.3470 18049596.6000 12076544.1100 11197266.2500 12308902.5000 18862806.1400 16914414.1200 34309758.7700 37332290.9300 29913738.1000 12728412.5800 13276063.3200 12128002.6000 7340023.9570 22686741.6300 59250966.2200 57981070.7400 36585280.5000 52811926.1100 58380250.5600 21117462.0900 15118568.7900 22252414.6800 22564964.2400 17581643.7100 18764568.6000 27804410.6900 26884123.7000 36738658.1000 30863168.5000 TG(58:8)>TG(18:0_20:4_20:4)_and_TG(18:0_18:2_22:6)_M+NH3_feature6 20180580.1400 34873780.8500 46450916.5200 23834124.7400 23470034.2600 38795608.5400 56378862.3500 68338039.4100 79727679.8600 36688683.6600 13684.5733 13540.8081 13301.0363 19525.8762 18138.4868 17852.1278 37166523.7600 38969211.4500 30893256.3300 41112662.2300 21794329.9500 41588291.6100 44432323.2400 32737083.5600 34692662.7900 45431145.5400 60155189.5500 40011321.1500 51633658.2500 26402504.2100 18554865.6800 24429595.1000 27679964.6800 19520648.6500 43411515.2700 38342000.3900 57894036.4500 52697886.3900 105509734.5000 16500529.9400 27824146.9700 15319382.3000 19287241.7400 25136684.1500 38993909.4400 23843688.5400 43465800.8700 65657311.0600 45501211.2200 23925931.0600 22515687.2100 23706866.5600 17445817.3600 21328065.0300 80515308.5700 72672702.7500 30167365.5900 74495275.0500 50394286.1500 32339378.9900 23949184.1300 22235695.1600 25869150.7100 29949604.6900 30814805.1800 27845767.5400 30800255.7100 29212747.7300 35812945.4200 TG(58:8)>TG(18:2_18:2_22:4)_M+NH3_feature1 130877707.0000 164948988.6000 203358251.3000 143350400.5000 186972458.9000 189349753.9000 262797785.1000 314943095.9000 271228668.4000 213814771.4000 38429.7287 38222.1905 37635.0745 41455.9650 37565.3279 36155.3858 173259987.4000 192754367.4000 225922974.7000 229739333.0000 192850305.0000 206988859.2000 195886010.7000 212291868.3000 180294023.7000 186748833.5000 193994724.4000 209186469.6000 176587810.2000 118659918.1000 115507125.7000 135687925.5000 136112366.6000 136568135.2000 260972946.4000 235035790.9000 217369547.0000 239915212.8000 299401437.7000 79727063.5000 175175511.1000 126812475.0000 100741399.9000 129123794.9000 279288333.8000 179066597.6000 226849375.4000 255536574.4000 226676410.6000 218247885.1000 145233991.2000 107271521.2000 199732910.4000 146862634.0000 317387767.0000 227216559.6000 231716358.2000 280722851.6000 297966285.3000 165826198.8000 149526069.0000 116526101.3000 170571026.0000 137012503.0000 189959450.2000 177639622.2000 230168418.4000 213867522.0000 159780651.3000 TG(58:8)_M+NH3_feature5 131399550.8000 138234725.8000 143812020.3000 122165611.6000 122923467.5000 56878725.1600 155132193.0000 89881489.7800 160951838.2000 101873908.5000 35448.7274 33644.2619 38873.3587 32820.7501 27370.8751 30491.5260 158459719.0000 163505395.5000 118024163.1000 172065662.3000 127969753.5000 153936508.3000 166374077.1000 131257509.0000 160881021.6000 92121896.2000 91901384.7200 180904427.7000 138688715.9000 130687496.2000 78424818.0500 103015958.0000 141681842.8000 123767960.5000 98252118.4000 145021079.3000 162804366.3000 154387151.0000 311613826.9000 78904196.8000 153163729.8000 101825321.5000 96966576.1000 105091650.3000 161990205.9000 102387529.9000 193303929.2000 136944264.3000 141334571.8000 142184431.0000 100226123.4000 116556088.5000 108157854.5000 111123405.3000 220761040.4000 212406578.0000 131334425.2000 235674034.9000 90448399.4300 136497608.5000 123292465.1000 154210954.3000 132861920.7000 127288086.1000 106651897.6000 141040689.8000 102707520.4000 90365485.6600 149888201.2000 TG(58:9)_M+NH3_feature3 546350615.2000 692882123.4000 785605505.5000 462447104.9000 618333730.8000 540419027.1000 708704608.8000 735413044.0000 883833293.6000 694767043.0000 17449.2061 16982.4921 16722.6388 19010.1497 18192.5027 18104.5160 673353440.0000 656594409.2000 689663789.1000 702300424.6000 600267760.1000 710018868.0000 669115105.3000 672336096.3000 669561412.4000 477799203.9000 505428494.3000 564528365.2000 551889714.0000 603452242.4000 604766966.7000 723986338.9000 648213595.7000 674353051.7000 688736672.4000 486900172.1000 631995019.5000 648123416.2000 849243540.1000 482977098.7000 975333000.5000 788821064.9000 616976635.6000 698173412.6000 804047552.8000 490508540.7000 701160658.7000 677756463.1000 625542051.5000 740895142.7000 629292489.9000 419086227.9000 554886062.5000 541959987.6000 811553417.7000 646344929.0000 563525567.9000 880396035.0000 767605094.2000 620236855.6000 654609777.2000 479062195.6000 563503166.6000 589378534.6000 533860930.4000 518220219.0000 689707420.1000 593823922.0000 516805669.3000 TG(60:10)>TG(18:0_20:4_22:6)_M+NH3_feature3 34529250.9500 24910500.8900 24917762.9000 20657335.0000 21431705.5000 81991061.8100 105854075.2000 166698283.6000 148176470.9000 107811908.0000 22805.8420 21087.7244 20815.7480 32603.4881 28122.8765 28087.2070 69687337.3700 67733907.6900 69673982.2100 78887336.0000 79134384.5900 78338123.3600 77132088.0600 48839610.7800 77424651.8300 92791544.8000 107745404.4000 96850412.4600 116542473.0000 21713129.2300 20373133.1200 15306770.3700 21853698.0500 24668327.9500 161653612.0000 102178197.5000 86739278.1500 179967444.2000 152697898.5000 15333220.0800 104945826.3000 23700940.0300 24027419.4100 18840639.6300 120959063.1000 78389819.3900 117375012.7000 122279681.2000 99451002.3800 68187263.5200 20482271.4200 18793438.1900 24126206.9600 19696014.1200 124232067.0000 103954068.0000 89826412.2900 125621596.2000 113740156.7000 17420207.4500 24148414.2000 19569478.7700 30332704.6500 23604363.7500 78771210.9000 56175347.0500 107598343.4000 88709053.8400 73964468.1500 TG(60:10)>TG(18:0_20:4_22:6)_M+NH3_feature5 8007812.8710 15046442.0500 16563048.8100 11160844.0100 12246739.2200 16553518.6200 15137239.1900 26622961.4400 14433083.9900 18961048.8500 28876.5597 27414.0685 31683.4070 26978.8356 22497.6757 25061.2268 16591041.2300 15269633.0000 15851487.3500 15126136.5200 9749308.3960 15572283.3400 14853961.1200 15002597.7500 17154831.0000 23098355.2500 19676854.6000 17873589.1500 16435265.0700 9224599.5840 6762502.0180 7931210.9940 11068464.7500 6682003.2900 20231066.6000 14635291.5500 15923226.0700 24628793.5300 15829781.9100 5291651.2590 6161754.2380 3693621.5890 5832713.6200 8928985.8070 18883584.6800 11719269.6900 10226608.0000 18974782.0400 18033616.7300 5651295.5850 5489128.9280 8413765.4440 8190747.9310 10585987.7400 24031885.2100 23459973.2300 22024094.4900 29520363.6700 23913163.0900 12070327.2400 10662664.1800 8751506.5720 11004948.0100 10162982.8600 7336934.2650 7803018.4570 14106016.1400 18178622.7100 12959855.1800 TG(60:3)_M+NH3_feature1 6147413.1890 12677911.7900 18982817.7200 28304516.6400 13616776.6800 63082303.9100 46608805.6700 28386849.4300 44574144.3800 50291666.2300 19930.1421 19454.8598 18485.4341 21011.4755 19517.8160 19102.4226 31587600.6100 33599585.4500 34474694.2900 32732695.5800 31369522.7600 32576247.0800 34996266.3200 33240943.4300 31612323.3500 25335290.6600 23889453.6100 37844584.0300 36711156.0500 20212605.0600 18361498.9400 11836755.7700 25088869.3700 23881443.7200 49463319.7300 32114021.5600 46842826.4600 31544274.7300 71707949.0300 18305771.3400 27495585.6100 19191263.9900 14948142.2100 15253616.8600 19063150.3800 11785062.1000 31829061.9900 39267869.2400 34196305.5200 9436338.5280 12910122.2100 7035176.9800 5806725.3080 25240809.3000 96200350.2700 85500284.1000 49397468.2200 82318682.5400 84201360.3800 20450727.3100 10740943.1500 28191517.5300 22981513.0100 12826318.6300 22436926.3600 48135053.0400 33863184.8700 52258003.9100 53855252.5700 TG(60:4)_M+NH3_feature1 95405.4509 385052.6615 855718.1138 887341.4194 652366.0594 1669889.0890 892082.3099 83509.9736 1085448.5580 1253133.7000 7645.2569 6909.1989 7194.5091 8512.5794 7730.7048 8074.6715 903143.2391 870935.4538 1345614.7310 726209.5998 864337.8661 955437.5157 1289226.9440 799136.7432 906098.2955 538846.4996 458213.1960 826304.0620 805986.7600 624516.5166 914514.9159 617766.1523 2027336.0920 655754.6674 1415793.5550 2088801.7400 1430808.7570 1433856.5110 2684859.7920 890512.6729 783187.8426 1703244.0040 335285.5127 862348.8531 68688.2296 345101.2301 2390255.9400 1054479.8490 936127.9807 274453.2459 374021.1306 545787.6924 647861.3931 898862.0586 3332494.0130 5255506.2700 3608219.4040 2158663.7190 2211435.1570 1174586.0080 875598.7057 903583.6817 679021.9450 352368.1797 1327437.8430 1045630.2840 711624.8806 1136690.0200 1114250.4370 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name pubchem_id inchi_key kegg_id other_id other_id_type ri ri_type moverz_quant 3-(1-pyrazolyl)-alanine_feature1 0.83 156.0783 5-henicosylbenzene-1,3-diol_feature1 3.4 405.372 bilirubin_feature1 2.61 585.27 campesterol ester(18:2)_M+NH3_feature1 9.68 663.6071 Car(10:0)_feature1 1 316.2475 Car(10:0-OH)_feature1 0.97 332.2423 Car(10:1)_feature1 0.97 314.2318 Car(12:0)_feature1 1.12 344.2788 Car(12:0)_feature2 1.22 344.2788 Car(12:1)_feature1 1.08 342.2632 Car(13:0)_feature1 1.32 358.2946 Car(14:0)_feature1 1.6 372.3103 Car(14:1)_feature1 1.36 370.2947 Car(14:1-OH)_feature1 1.1 386.2893 Car(15:0)_feature1 1.11 386.3257 Car(16:0)_feature1 2.04 400.3413 Car(16:1)_feature1 1.73 398.3258 Car(16:2)_feature1 1.45 396.3103 Car(16:3)_feature1 1.33 394.2947 Car(17:0)_feature1 2.22 414.3569 Car(17:1)_feature1 1.95 412.3412 Car(18:0)_feature1 2.36 428.3728 Car(18:0)_feature2 8.89 848.7696 Car(18:0-OH)_feature1 2.15 444.3676 Car(18:1)_feature1 2.11 426.3568 Car(18:1-OH)_feature1 1.81 442.3518 Car(18:2)_feature1 1.83 424.3411 Car(20:1)_feature1 2.38 454.3882 Car(20:1-OH)_feature1 2.19 470.3831 Car(20:2)_feature1 2.18 452.3724 Car(20:2-OH)_feature1 1.93 468.3675 Car(20:4)_feature1 1.81 448.3413 Car(2:0)_feature1 0.87 204.1228 Car(22:2)_feature1 2.58 480.4039 Car(22:4)_feature1 2.1 476.3723 Car(24:0)_feature1 3.59 512.467 Car(24:1)_feature1 3.03 510.4512 Car(26:1)_feature1 3.54 538.4827 Car(3:0)_feature1 0.87 218.1383 Car(4:0)_feature1 0.89 232.1539 Car(4:0-OH)_feature1 0.89 248.1488 Car(5:0)_feature1 0.9 246.1695 Car(6:0)_feature1 0.92 260.1851 carnitine_feature1 0.88 162.1122 CE(16:1)_M+NH3_feature1 9.6 640.6021 CE(18:1)_M+NH3_feature1 9.82 651.607 CE(18:2)_M+NH3_feature1 9.61 649.5915 CE(18:3)_M+NH3_feature1 9.38 664.6017 CE(20:4)_M+NH3_feature1 9.44 673.5915 CE(20:5)_M+NH3_feature1 9.08 688.6023 Cer(d34:1)>Cer(d18:1/16:0)_feature1 5.34 538.5185 Cer(d36:1)>Cer(d18:1/18:0)_feature1 6.33 566.5501 Cer(d40:0)>Cer(d18:0/22:0)_feature1 7.27 624.6285 Cer(d40:1)>Cer(d18:1/22:0)_feature1 7.16 622.6126 Cer(d40:2)>Cer(d18:1/22:1)_feature1 6.84 620.5968 Cer(d40:2)>Cer(d18:2/22:0)_feature2 6.92 620.5968 Cer(d41:0)>Cer(d18:0/23:0)_feature1 7.43 638.6442 Cer(d41:1)>Cer(d18:1/23:0)_feature1 7.32 636.6285 Cer(d41:2)>Cer(d18:2/23:0)_feature2 7.06 634.6127 Cer(d42:0)>Cer(d18:0/24:0)_feature1 7.61 652.6597 Cer(d42:1)>Cer(d18:0/24:1)_feature1 7.23 650.6442 Cer(d42:1)>Cer(d18:1/24:0)_feature2 7.48 650.6442 Cer(d42:2)>Cer(d18:1/24:1)_feature3 7.12 648.6279 Cer(d42:2)>Cer(d18:2/24:0)_feature4 7.22 648.6283 Cer(d42:3)_feature1 6.88 646.6125 Cer(d43:1)>Cer(d18:1/25:0)_feature1 7.58 664.6597 Cer(d43:1)>Cer(d18:1/25:0)_feature2 7.66 664.6597 Cer(d44:1)>Cer(d18:1/26:0)_feature1 7.84 678.6751 Cer(d44:2)>Cer(d18:1/26:1)_feature1 7.43 676.6597 cholesterol M - H2O_feature1 2.84 369.3513 corticosterone_feature1 1.03 347.2209 DG(34:1)>DG(16:0_18:1_0:0)_feature2 6.78 595.5285 DG(34:2)>DG(16:0_18:2_0:0)_M+NH3_feature3 6.35 610.5394 DG(36:1)>DG(18:0_18:1_0:0)_M+NH3_feature2 7.09 640.5865 DG(36:2)>DG(18:1_18:1_0:0)_feature3 6.79 621.5442 DG(36:3)>DG(18:1_18:2_0:0)_feature3 6.38 619.5291 DG(36:4)>DG(16:0_20:4_0:0)_M+NH3_feature2 6.11 634.5397 DG(36:4)>DG18:2_18:2_0:0)_feature1 5.64 617.5132 DG(36:5)>DG(18:2_18:3_0:0)_M+NH3_feature1 5.01 632.5242 DG(38:3)>DG(18:2_20:1_0:0)_M+NH3_feature2 6.85 664.5866 DG(38:4)>DG(16:0_22:4_0:0)_M+NH3_feature4 6.68 662.5707 DG(38:4)>DG(18:0_20:4_0:0)_feature6 6.78 640.5882 DG(38:5)>DG(18:1_20:4_0:0)_M+NH3_feature2 6.15 643.5291 DG(38:6)>DG(18:2_20:4_0:0)_M+NH3_feature1 5.41 641.5128 DG(40:7)>DG(18:1_22:6_0:0)_M+NH3_feature3 5.87 684.5556 EA(17:0)_feature1 2.55 314.3046 erucamide_feature1 2.4 338.3411 erucamide_feature2 3.3 338.3412 glycocholate_feature1 1.04 466.3155 GTInternalStandard_CE(18:1(9z,d7))_M+NH3_feature1 9.8 1316.2942 GTInternalStandard_cholesterol(d7)_M-H2O_feature1 4.86 376.3947 GTInternalStandard_DG(33:1(d7))>DG(15:0/18:1(d7)/0:0)_feature1 6.53 588.5576 GTInternalStandard_PC(18:1(d7))>PC(18:1(9z,d7)/0:0)_and_PC(18:1(d7))>PC(0:0/18:1(9z,d7))_feature1 2.18 529.3979 GTInternalStandard_PC(33:1(d7))>PC(15:0/18:1(9z,d7))_feature1 4.84 753.6129 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 2.22 487.3517 GTInternalStandard_PE(33:1(d7))>PE(15:0/18:1(9z,d7))_feature1 5.06 711.5658 GTInternalStandard_PI(33:1(d7))>PI(15:0/18:1(9z,d7))_feature1 4.29 847.6015 GTInternalStandard_PS(33:1(d7))>PS(15:0/18:1(9z,d7))_feature1 4.36 755.5547 GTInternalStandard_SM(d36:2(d9))>SM(d18:1/18:1(9z,d9))_feature1 4.45 738.6459 GTInternalStandard_TG(48:1(d7))>TG(15:0/18:1(9z,d7)/15:0)_feature1 8.88 812.7713 HexCer(d40:1)>HexCer(d18:1/22:0)_feature2 6.88 784.6656 HexCer(d42:1)>HexCer(d18:1/24:0)_feature2 7.1 812.6975 HexCer(d42:1-OH)>HexCer(d18:1/24:0-OH)_feature1 6.7 828.6915 HexCer(d42:2)>HexCer(d18:1/24:1)_feature3 6.85 810.6809 HexCer(t42:1)>HexCer(t18:0/24:1)_feature1 6.98 666.6385 LPC(0:0/16:0)_feature1 2.04 496.339 LPC(0:0/18:0)_feature1 2.39 524.3705 LPC(0:0/18:1)_feature1 2.12 522.3549 LPC(0:0/18:2)_feature1 1.82 520.3391 LPC(0:0/19:0)_feature1 2.55 538.3859 LPC(0:0/20:0)_feature1 2.74 552.4017 LPC(0:0/20:2)_feature1 2.26 548.3703 LPC(0:0/20:4)_feature1 1.8 544.3387 LPC(0:0/22:5)_feature1 1.94 570.3542 LPC(14:0/0:0)_and_LPC(0:0/14:0)_feature1and2 1.66 468.308 LPC(15:0/0:0)_and_LPC(0:0/15:0)_feature1and2 1.9 482.323 LPC(16:0/0:0)_feature2 2.13 496.339 LPC(16:1/0:0)_and_LPC(0:0/16:1)_feature1and2 1.79 494.3233 LPC(17:0/0:0)_feature2 2.3 510.355 LPC(17:1/0:0)_feature2 2.01 508.3388 LPC(18:0/0:0)_feature2 2.45 524.3705 LPC(18:1/0:0)_feature2 2.19 522.3549 LPC(18:2/0:0)_feature2 1.91 520.3391 LPC(18:3/0:0)_and_LPC(0:0/18:3)_feature1and2 1.67 518.3237 LPC(19:0/0:0)_feature2 2.61 538.386 LPC(19:1/0:0)_and_LPC(0:0/19:1)_feature1and2 2.34 536.3704 LPC(20:0/0:0)_feature2 2.8 552.4017 LPC(20:2/0:0)_feature2 2.47 550.3854 LPC(20:3)_feature1and2 2.05 546.355 LPC(20:4/0:0)_feature2 1.87 544.3389 LPC(20:5)_feature1and2 1.61 542.3222 LPC(22:0/0:0)_feature1and2 3.27 580.4329 LPC(22:1/0:0)_and_LPC(0:0/22:1)_feature1and2 2.8 578.4172 LPC(22:4)_feature1and2 2.18 572.3698 LPC(22:5/0:0)_feature2 2.07 570.3539 LPC(22:6/0:0)_and_LPC(0:0/22:6)_feature1and2 1.81 568.3387 LPC(23:0/0:0)_feature2 3.56 594.4489 LPC(24:0/0:0)_feature2 3.9 608.4644 LPC(24:1/0:0)_feature1and2 3.24 606.4488 LPC(24:2/0:0)_and_LPC(0:0/24:2)_feature1and2 2.85 604.4328 LPC(26:0)_feature1and2 4.75 636.4952 LPE(16:0/0:0)_feature1and2 2.17 454.2918 LPE(18:0/0:0)_and_LPE(0:0/18:0)_feature1and2 2.49 482.3232 LPE(18:1/0:0)_and_LPE(0:0/18:1)_feature1and2 2.23 480.3077 methyl-histidine_feature1 0.78 170.0659 new_HexCer(d42:1)>HexCer(d18:1/24:0) 7.16 812.6968 new_PC(40:5) 6.22 836.6145 new_SM(d38:3) 4.75 755.6049 new_SM(d41:0) 7.08 803.6998 new_SM(d42:2) 6.87 813.6839 new_TG(55:5)>TG(18:2_18:2_19:1)_and_TG(18:1_18:2_19:2)_M+NH3 8.9 912.7994 new_TG(55:6)_M+NH3 8.23 910.784 new_TG(56:2)_M+NH3 9.53 932.8538 new_TG(58:1)>TG(16:0_18:1_24:0)_and_TG(16:0_16:0_26:1)_and_TG(18:0_18:1_22:0)_M+NH3 10.05 962.9103 new_TG(60:4)_M+NH3 9.59 984.885 octadecanamine_feature1 2.37 270.315 oleamide_feature1 2.5 265.2519 oleamide_feature2 3.3 265.252 PC(30:0)_feature1 4.38 706.5364 PC(30:0)_feature2 4.93 706.5396 PC(30:1)_feature1 3.79 704.5217 PC(31:0)_feature1 4.62 720.5527 PC(31:0)_feature2 4.78 720.5527 PC(32:0)_feature1 4.41 734.568 PC(32:0)_feature2 5.23 734.5689 PC(32:1)_feature1 4.46 732.5527 PC(32:1)_feature3 4.93 732.5533 PC(32:2)_feature1 3.9 730.5376 PC(33:0)_feature1 4.76 748.5847 PC(33:0)_feature3 5.71 748.5848 PC(33:1)_feature1 4.88 746.5694 PC(33:3)_feature2 3.88 742.5372 PC(34:0)_feature4 6.19 762.6007 PC(34:1)_feature2 5.3 760.585 PC(34:2)_feature1 4.64 758.569 PC(34:3)_feature1 4.01 756.5528 PC(34:3)_feature3 4.26 756.5528 PC(34:4)_feature2 3.8 754.5376 PC(34:4)_feature5 5.18 754.5367 PC(35:0)_feature1 5.63 776.6174 PC(35:0)_feature2 6.43 776.616 PC(35:0)_feature3 6.57 776.616 PC(35:1)_feature1 5.78 774.6004 PC(35:2)_feature2 5.09 772.5849 PC(35:3)_feature1 4.33 770.5681 PC(35:4)_feature2 4.13 768.5533 PC(36:0)_feature1 6.16 790.6303 PC(36:0)_feature2 6.78 790.6314 PC(36:1)_feature1 6.26 788.6163 PC(36:2)_feature3 5.55 786.6008 PC(36:2)_M+Na_feature4 5.61 808.581 PC(36:3)_feature1 4.04 784.5839 PC(36:3)_feature2 4.69 784.5833 PC(36:3)_feature3 4.88 784.5833 PC(36:4)_feature2 4.11 782.5688 PC(36:4)_feature3 4.51 782.5688 PC(36:4)_feature8 5.64 782.5704 PC(36:5)_feature1 3.69 780.5529 PC(36:5)_feature2 3.87 780.5527 PC(36:5)_feature3 4.04 780.5527 PC(36:5)_feature4 4.33 780.5522 PC(36:6)_feature3 3.66 778.5346 PC(37:0)_feature4 6.83 804.5883 PC(37:1)_feature2 6.49 802.6315 PC(37:1)_feature3 6.61 802.6315 PC(37:2)_feature1 5.83 800.6164 PC(37:2)_feature2 6.04 800.6164 PC(37:3)_feature1 5.09 798.5992 PC(37:3)_feature2 5.29 798.599 PC(37:4)_feature2 4.78 796.5843 PC(37:4)_feature3 4.94 796.5843 PC(37:4)_feature5 5.79 796.5836 PC(37:5)_feature4 5.83 794.6049 PC(37:6)_feature1 3.97 792.5529 PC(38:1)_feature1 6.78 816.6458 PC(38:2)_feature1 5.51 814.6224 PC(38:2)_feature5 6.36 814.6314 PC(38:3)_feature2 5.51 812.6135 PC(38:3)_feature3 5.78 812.6166 PC(38:4)_feature4 5.39 810.6006 PC(38:5)_feature1 3.88 808.5842 PC(38:5)_feature2 4.26 808.5834 PC(38:5)_feature3 4.56 808.5833 PC(38:6)_feature1 4 806.5688 PC(38:6)_feature2 4.32 806.5689 PC(38:6)_feature3 4.72 806.5675 PC(38:7)_feature1 3.6 804.5524 PC(38:7)_feature2 3.72 804.5501 PC(39:3)_feature1 6.24 826.5705 PC(39:3)_feature2 6.7 826.5699 PC(39:4)_feature2 5.3 824.6154 PC(39:4)_feature3 5.67 824.6156 PC(39:4)_feature5 5.88 824.6156 PC(39:5)_feature1 4.27 822.5991 PC(39:5)_feature3 4.95 822.599 PC(39:5)_feature6 5.84 822.5978 PC(39:5)_feature7 6.04 822.5979 PC(39:6)_feature1 4.32 820.5833 PC(39:6)_feature2 4.57 820.5833 PC(39:6)_feature3 4.74 820.5833 PC(39:6)_feature5 5.45 1640.1686 PC(40:1)_feature1 7.09 844.6772 PC(40:2)_feature1 6.77 842.6619 PC(40:2)_feature2 6.89 842.662 PC(40:4)_feature2 6.04 838.6319 PC(40:4)_feature3 6.35 838.6318 PC(40:5)_feature1 5.02 836.6149 PC(40:5)_feature3 5.44 836.6143 PC(40:5)_feature4 5.76 836.6144 PC(40:6)_feature1 4.48 834.5987 PC(40:6)_feature3 5.16 834.6006 PC(40:7)_feature1 4.03 832.5828 PC(40:7)_feature2 4.16 832.5831 PC(40:7)_feature3 4.35 832.583 PC(40:8)_feature1 3.86 830.5689 PC(41:3)_feature1 3.7 854.5689 PC(41:6)_feature1 4.98 848.6154 PC(41:6)_feature3 5.64 848.615 PC(41:7)_feature1 4.75 846.5992 PC(42:2)_feature1 7.17 870.6937 PC(42:3)_feature1 6.86 868.6777 PC(42:4)_feature2 6.62 866.6621 PC(42:4)_feature3 6.84 866.6619 PC(42:5)_feature6 6.29 864.6463 PC(42:6)_feature2 5.42 862.6313 PC(42:6)_feature3 5.72 862.6311 PC(42:6)_feature4 6.14 862.6313 PC(42:7)_feature1 4.72 860.6141 PC(42:7)_feature4 5.14 860.614 PC(42:8)_feature3 4.46 858.5987 PC(42:9)_feature1 3.91 856.584 PC(42:9)_feature2 3.99 856.5837 PC(43:4)_feature1 6.98 880.6777 PC(44:12)_feature1 3.56 878.5687 PC(44:4)_feature2 7.12 894.693 PC(44:5)_feature1 6.81 892.6773 PC(46:5)_feature1 7.08 920.7088 PC(O-30:0)_feature1 4.92 692.5577 PC(O-32:0)_feature1 5.85 720.5899 PC(O-32:1)_feature1 4.97 718.5737 PC(O-32:1)_feature2 5.31 718.5737 PC(O-32:1)_feature3 5.7 718.5743 PC(O-34:0)_feature1 6.67 748.621 PC(O-34:1)_feature2 5.87 746.6057 PC(O-34:2)_feature1 5.2 744.5888 PC(O-34:2)_feature2 5.76 744.5897 PC(O-36:0)_feature1 7 776.6521 PC(O-36:1)_feature3 6.7 774.6369 PC(O-36:2)_feature1 5.94 772.6208 PC(O-36:2)_feature2 6.18 772.6209 PC(O-36:3)_feature1 5.53 770.6049 PC(O-36:4)_feature2 4.9 768.5508 PC(O-36:4)_feature4 5.05 768.5902 PC(O-36:5)_feature1 4.28 766.573 PC(O-36:5)_feature5 4.9 766.5731 PC(O-38:2)_feature3 6.79 800.6521 PC(O-38:4)_feature1 4.45 796.5842 PC(O-38:4)_feature2 5.34 796.5842 PC(O-38:4)_feature3 5.58 1592.1696 PC(O-38:4)_feature4 5.69 796.6215 PC(O-38:4)_feature6 6.02 796.6215 PC(O-38:4)_feature7 6.22 1592.1597 PC(O-38:5)_feature1 5.08 794.6049 PC(O-38:5)_feature2 5.5 794.605 PC(O-38:6)_feature1 4.42 792.589 PC(O-38:6)_feature2 4.81 792.5893 PC(O-38:7)_feature1 4.32 790.5732 PC(O-38:7)_feature2 4.66 790.5714 PC(O-40:3)_feature1 6.75 826.6573 PC(O-40:3)_feature2 6.77 826.6665 PC(O-40:4)_feature1 6.41 824.6511 PC(O-40:4)_feature2 6.57 824.6511 PC(O-40:4)_feature3 6.75 824.6512 PC(O-40:6)_feature1 5.12 820.621 PC(O-40:6)_feature4 5.76 820.6207 PC(O-40:7)_feature1 4.86 818.6039 PC(O-40:7)_feature3 5.57 818.6041 PC(O-40:7)_feature4 5.79 818.6019 PC(O-42:6)_feature1 5.83 848.6525 PC(O-42:6)_feature3 6.1 848.652 PC(O-42:6)_feature4 6.61 848.6521 PE(34:1)_feature1 5.55 718.5377 PE(34:2)_feature2 4.88 716.5215 PE(36:1)_feature3 6.47 746.5692 PE(36:2)>PE(18:2_18:0)_feature2 5.6 744.5535 PE(36:2)>PE(18:2_18:0)_feature3 5.8 744.5535 PE(36:3)_feature1 4.92 742.5377 PE(36:4)_feature3 4.73 740.5218 PE(38:3)>PE(18:0_20:3)_feature2 5.73 770.568 PE(38:4)>PE(18:0_20:4)_feature5 5.64 768.5537 PE(38:5)_feature3 4.78 766.5365 PE(38:5)_feature5 5.06 766.5386 PE(38:5)>PE(18:1_20:4)_feature8 5.81 766.5346 PE(38:6)_feature3 4.52 764.5219 PE(40:5)_feature3 5.67 794.5678 PE(40:6)_feature2 5.42 792.5526 PE(O-36:2)>PE(O-18:1/18:1)_feature2 6.74 730.5735 PE(O-36:3)_feature2 5.33 726.542 PE(O-36:3)>PE(O-18:1/18:2)_feature6 6.28 728.558 PE(O-36:5)>PE(O-16:1/20:4)_feature3 5.15 724.5263 PE(O-38:4)_feature3 5.96 754.5743 PE(O-38:4)_feature4 6.28 754.5739 PE(O-38:5)_feature3 5.34 752.5583 PE(O-38:5)>PE(O-16:1/22:4)_feature5 5.8 752.5587 PE(O-38:5)>PE(O-18:1/20:4)_feature6 6.11 752.5586 PE(O-38:6)>PE(O-18:2/20:4)_and_PE(O-16:1/22:5)_feature2 5.21 750.5424 PE(O-38:7)>PE(O-16:1/22:6)_feature2 4.92 748.5272 PE(O-40:4)_feature3 6.7 782.6057 PE(O-40:4)_feature4 6.82 782.6059 PE(O-40:5)>PE(O-18:1/22:4)_feature4 6.62 780.5895 PE(O-40:5)>PE(O-18:1/22:4)_feature5 6.76 780.5894 PE(O-40:6)>PE(O-18:1/22:5)_feature4 6.15 778.5743 PE(O-40:6)>PE(O-18:1/22:5)_feature5 6.43 778.5745 PE(O-40:7)>PE(O-18:1/22:6)_feature7 5.85 776.5586 PE(O-40:8)>PE(O-18:2/22:6)_feature2 4.96 774.5425 phenylalanine_feature1 0.84 166.0836 PI(36:2)_feature2 4.92 863.5628 PI(36:3)_feature1 4.17 861.5466 PI(36:3)_feature2 4.31 861.5462 PI(36:4)>PI(16:0_20:4)_feature1 4.02 859.5314 PI(38:3)>PI(18:0_20:3)_feature2 5.14 889.5782 PI(38:3)>PI(18:0_20:3)_feature4 5.44 906.6051 PI(38:4)>PI(18:0_20:4)_feature2 4.79 887.5631 PI(38:5)>PI(18:1_20:4)_feature1 4.07 885.5473 PI(38:5)>PI(18:1_20:4)_feature2 4.31 885.5472 PI(40:5)>PI(18:0_22:5)_feature1 4.84 913.5783 PI(40:6)>PI(18:0_22:6)_feature2 4.6 928.5889 PS(36:2)_feature4 5.01 788.5432 PS(38:4)>PS(18:0_20:4)_feature2 4.9 812.5417 PS(40:6)>PS(18:0_22:6)_feature3 4.68 836.606 SiE(18:2)_M+NH3_feature1 9.74 677.6227 SiE(20:4)_M+NH3_feature1 9.45 718.649 SiE(20:4)_M+NH3_feature2 9.6 701.6225 SiE(22:6)_M+NH3_feature1 9.49 742.6485 SM(d32:1)_feature1 3.69 675.543 SM(d33:1)_feature1 4.01 689.558 SM(d34:0)_feature1 4.68 705.5892 SM(d34:0-OH)_feature1 4.01 721.5842 SM(d34:1)_feature1 4.37 703.5742 SM(d34:1-OH)_feature1 4.1 719.5687 SM(d34:2)_feature1 3.78 701.5589 SM(d35:1)_feature1 4.78 717.5894 SM(d35:2)_feature1 4.12 715.5739 SM(d36:0)_feature1 5.6 733.6212 SM(d36:1)_feature1 4.79 731.6059 SM(d36:1)>SM(d18:1/18:0)_feature1 5.24 731.6059 SM(d36:2)_feature1 4.51 729.589 SM(d36:3)_feature1 3.93 727.5741 SM(d37:1)_feature1 5.74 745.6213 SM(d38:1)_feature2 6.23 759.6371 SM(d38:2)_feature1 5.24 757.6211 SM(d38:2)_feature2 5.44 757.6211 SM(d38:3)_feature1 4.57 755.605 SM(d39:1)_feature2 6.62 773.6527 SM(d39:2)_feature2 5.92 771.6373 SM(d40:1)_feature1 6.49 787.6685 SM(d40:1)_feature2 6.81 787.6685 SM(d40:1-OH)_feature2 7.01 803.6718 SM(d40:2)_feature1 6.17 785.6527 SM(d40:2)_feature2 6.4 785.6526 SM(d41:0)_feature1 6.97 803.6899 SM(d41:1)_feature1 6.96 801.6844 SM(d41:2)_feature1 6.56 799.6686 SM(d41:2)_feature2and3 6.72 799.6685 SM(d42:1)_feature2 7.1 815.6999 SM(d42:2)_feature1 6.57 813.684 SM(d42:2)_feature2 6.77 813.6839 SM(d42:3)_feature1 6.3 811.6676 SM(d43:1)_feature1 7.19 829.715 SM(d43:1)_feature2 7.26 829.715 SM(d43:2)_feature2 6.95 827.6984 SM(d43:3)_feature1 6.64 825.6837 SM(d44:1)_feature1 7.42 843.7307 SM(d44:2)_feature1 7.08 841.7138 SM(d44:3)_feature1 6.83 839.6983 StE(20:4)_and_SiE(20:5)_feature1 9.48 716.6328 taurocholate_feature1 0.98 516.298 TG(46:0)>TG(14:0_16:0_16:0)_and_TG(12:0_16:0_18:0)_M+NH3_feature1 8.94 796.7377 TG(46:1)>TG(12:0_16:0_18:1)_and_TG(10:0_18:0_18:1)_and_TG(14:0_16:0_16:1)_M+NH3_feature2 8.49 794.7219 TG(46:2)_M+NH3_feature2 8.14 792.7063 TG(48:0)>TG(16:0/16:0/16:0)_and_TG(14:0_16:0_18:0)_M+NH3_feature1 9.37 824.7692 TG(48:1)>TG(16:0_16:0_16:1)_and_TG(14:0_16:0_18:1)_M+NH3_feature2 8.18 844.738 TG(48:1)>TG(16:0_16:0_16:1)_and_TG(14:0_16:0_18:1)_M+NH3_feature3 8.91 822.7535 TG(48:2)>TG(14:0_16:0_18:2)_and_TG(14:0_16:1_18:1)_M+NH3_feature3 8.53 820.7378 TG(48:3)_M+NH3_feature2 8.14 818.7219 TG(49:0)>TG(16:0_16:0_17:0)_and_TG(15:0_16:0_18:0)_and_TG(14:0_16:0_19:0)_M+NH3_feature1 9.5 838.7846 TG(49:0)>TG(16:0_16:0_17:0)_and_TG(15:0_16:0_18:0)_and_TG(14:0_16:0_19:0)_M+NH3_feature2 9.48 864.8003 TG(49:1)>TG(15:0_16:0_18:0)_and_TG(16:0_16:0_17:1)_and_TG(16:0_16:1_17:0)_M+NH3_feature1 9.12 836.7695 TG(49:2)_M+NH3_feature3 8.75 834.753 TG(49:3)_M+NH3_feature2 8.33 832.7378 TG(50:1)>TG(16:0_16:0_18:1)_feature4 9.34 833.7587 TG(50:2)>TG(16:0_16:1_18:1)_and_TG(14:0_18:1_18:1)_M+NH3_feature1 8.46 848.7691 TG(50:2)>TG(16:0_16:1_18:1)_and_TG(14:0_18:1_18:1)_M+NH3_feature3 8.97 848.7696 TG(50:3)_M+NH3_feature3 8.52 829.7274 TG(50:4)>TG(16:1_16:1_18:2)_and_TG(16:1_16:1_18:2)_M+NH3_feature2 8.26 844.7382 TG(50:4)>TG(16:1_16:1_18:2)_M+NH3_feature2 7.94 844.7289 TG(50:5)_M+NH3_feature2 7.95 842.7224 TG(50:5)_M+NH3_feature3 8.06 842.7221 TG(51:0)>TG(16:0_17:0_18:0)_and_TG(16:0_16:0_19:0)_and_TG(15:0_17:0_19:0)_M+NH3_feature1 9.65 866.8161 TG(51:2)>TG(15:0_18:1_18:1)_and_TG(16:0_17:1_18:1)_and_TG(16:1_17:0_18:1)_M+NH3_feature3 9.2 862.7852 TG(51:2)_M+NH3_feature2 9.1 862.7853 TG(51:3)>TG(15:0_18:1_18:2)_and_TG(16:0_17:1_18:2)_and_TG(16:1_17:1_18:1)_M+NH3_feature3 8.73 860.7695 TG(51:4)>TG(16:1_17:1_18:2)_and_TG(15:0_18:2_18:2)_and_TG(15:1_18:1_18:2)_M+NH3_feature1 8.38 858.7538 TG(51:5)>TG(15:0_18:2_18:3)_and_TG(15:1_18:2_18:2)_M+NH3_feature2 8.11 856.7378 TG(52:0)>TG(16:0_16:0_20:0)_M+NH3_feature3 9.75 880.8321 TG(52:1)>TG(16:0_18:0_18:1)_and_TG(16:0_16:0_20:1)_M+NH3_feature3 9.57 878.8167 TG(52:2)>TG(16:0_18:1_18:1)_and_TG(16:0_18:0_18:2)_M+NH3_feature4 8.87 876.7993 TG(52:2)>TG(16:0_18:1_18:1)_and_TG(16:0_18:0_18:2)_M+NH3_feature5 9.31 859.7747 TG(52:3)>TG(16:0_18:1_18:2)_M+NH3_feature2 8.5 874.7858 TG(52:3)>TG(16:0_18:1_18:2)_M+NH3_feature3 8.94 874.7856 TG(52:4)>TG(16:0_16:0_20:4)_and_TG(16:1_18:1_18:2)_and_TG(16:0_18:1_18:2)_M+NH3_feature6 8.82 872.7699 TG(52:4)>TG(16:1_18:1_18:2)_M+NH3_feature1 8.16 872.7717 TG(52:4)>TG(16:1_18:1_18:2)_M+NH3_feature5 8.58 872.7699 TG(52:5)>TG(16:0_18:2_18:3)_M+NH3_feature5 8.3 853.727 TG(52:5)>TG(16:1_18:2_18:2)_M+NH3_feature1 7.93 870.7562 TG(52:6)>TG(16:1_18:2_18:3)_and_TG(52:6)>TG(16:2_18:2_18:2)_M+NH3_feature4 8.05 868.7382 TG(52:7)_M+NH3_feature2 7.8 866.7225 TG(53:1)>TG(16:0_18:1_19:0)_and_TG(17:0_18:0_18:1)_M+NH3_feature1 9.35 892.8318 TG(53:1)>TG(16:0_18:1_19:0)_and_TG(17:0_18:0_18:1)_M+NH3_feature3 9.65 892.8317 TG(53:2)_M+NH3_feature4 9.47 890.8158 TG(53:3)>TG(17:0_18:1_18:2)_and_TG(17:1_18:1_18:1)_and_TG(16:1_18:1_19:1)_and_TG(16:0_18:1_19:2)_M+NH3_feature1 8.73 888.8011 TG(53:3)>TG(17:0_18:1_18:2)_and_TG(17:1_18:1_18:1)_and_TG(16:1_18:1_19:1)_and_TG(16:0_18:1_19:2)_M+NH3_feature2 8.8 888.7914 TG(53:3)>TG(17:0_18:1_18:2)_and_TG(17:1_18:1_18:1)_and_TG(16:1_18:1_19:1)_and_TG(16:0_18:1_19:2)_M+NH3_feature4 9.07 888.8011 TG(53:3)>TG(17:0_18:1_18:2)_and_TG(17:1_18:1_18:1)_and_TG(16:1_18:1_19:1)_and_TG(16:0_18:1_19:2)_M+NH3_feature5 9.15 888.8011 TG(53:4)>TG(17:0_18:2_18:2)_and_TG(17:1_18:1_18:2)_M+NH3_feature1 8.37 886.7853 TG(53:4)>TG(17:0_18:2_18:2)_and_TG(17:1_18:1_18:2)_M+NH3_feature2 8.76 886.7852 TG(53:4)>TG(17:0_18:2_18:2)_and_TG(17:1_18:1_18:2)_M+NH3_feature3 8.81 886.7849 TG(53:5)>TG(17:1_18:2_18:2)_M+NH3_feature2 8.57 884.7684 TG(53:6)>TG(17:2_18:2_18:2)_and_TG(17:1_18:2_18:3)_M+NH3_feature2 8.24 882.7538 TG(54:1)>TG(18:0_18:0_18:1)_and_TG(16:1_18:0_20:0)_and_TG(16:0_18:0_20:1)_M+NH3_feature3 9.73 906.848 TG(54:2)>TG(16:0_18:1_20:1)_and_TG(18:0_18:1_18:1)_M+NH3_feature2 9.31 904.8308 TG(54:2)>TG(16:0_18:1_20:1)_and_TG(18:0_18:1_18:1)_M+NH3_feature3 9.56 904.832 TG(54:3)>TG(18:0_18:1_18:2)_and_TG(18:1/18:1/18:1)_and_TG(16:0_18:2_20:1)_M+NH3_feature8 9.37 885.7894 TG(54:3)>TG(18:1/18:1/18:1)_M+NH3_feature6 8.94 902.8138 TG(54:3)>TG(18:1/18:1/18:1)_M+NH3_feature7 9.1 902.8074 TG(54:4)>TG(18:1_18:1_18:2)_and_TG(18:0_18:2_18:2)_M+NH3_feature3 8.58 900.7977 TG(54:4)>TG(18:1_18:1_18:2)_feature4 8.92 883.7735 TG(54:4)_M+NH3_feature6 9.26 900.7999 TG(54:5)>TG(18:1_18:2_18:2)_and_TG(16:0_16:0_22:5)_and_TG(16:0_18:1_20:4)_feature5 8.79 881.7588 TG(54:5)>TG(18:1_18:2_18:2)_and_TG(16:0_16:0_22:5)_and_TG(16:0_18:1_20:4)_M+NH3_feature3 8.32 898.7841 TG(54:5)>TG(18:1_18:2_18:2)_M+NH3_feature3 8.56 881.7587 TG(54:6)>TG(16:0_16:0_22:6)_M+NH3_feature6 8.64 896.7701 TG(54:6)>TG(18:2/18:2/18:2)_and_TG(18:1_18:2_18:3)_M+NH3_feature1 7.97 896.7603 TG(54:6)>TG(18:2/18:2/18:2)_and_TG(18:1_18:2_18:3)_M+NH3_feature4 8.23 896.7699 TG(54:7)>TG(16:0_16:1_22:6)_and_TG(16:0_18:2_20:5)_M+NH3_feature4 8.16 894.7541 TG(54:7)>TG(18:2_18:2_18:3)_M+NH3_feature2 7.97 894.754 TG(54:8)_M+NH3_feature1 7.82 892.7381 TG(54:8)_M+NH3_feature2 7.92 892.7382 TG(55:1)>TG(18:0_18:1_19:0)_and_TG(16:0_18:1_21:0)_M+NH3_feature1 9.78 920.8623 TG(55:2)>TG(18:1_18:1_19:0)_M+NH3_feature1 9.51 918.837 TG(55:3)_M+NH3_feature3 9.48 916.8314 TG(55:4)>TG(18:1_18:2_19:1)_and_TG(18:2_18:2_19:0)_and_TG(18:1_18:1_19:2)_M+NH3_feature2 9.13 914.8164 TG(55:5)>TG(18:2_18:2_19:1)_and_TG(18:1_18:2_19:2)_M+NH3_feature2 8.78 912.7994 TG(55:5)>TG(18:2_18:2_19:1)_and_TG(18:1_18:2_19:2)_M+NH3_feature3 9.01 912.7994 TG(55:6)_M+NH3_feature1 8.43 910.7844 TG(55:6)_M+NH3_feature2 8.59 910.7838 TG(55:7)_M+NH3_feature1 8.27 908.7691 TG(55:7)_M+NH3_feature2 8.41 908.7698 TG(56:10)>TG(18:2_18:3_20:5)_M+NH3_feature1 7.64 916.7382 TG(56:1)_M+NH3_feature1 9.89 934.8788 TG(56:2)_M+NH3_feature1 9.58 932.8541 TG(56:2)_M+NH3_feature2 9.71 932.8635 TG(56:3)>TG(18:1_18:1_20:1)_and_TG(18:1_18:2_20:0)_and_TG(18:0_18:2_20:1)_and_TG(16:0_18:1_22:2)_M+NH3_feature3 9.57 930.8471 TG(56:4)>TG(18:0_18:0_20:4)_M+NH3_feature5 9.54 928.8309 TG(56:4)>TG(18:1_18:2_20:1)_and_TG(18:1_18:1_20:2)_M+NH3_feature3 9.23 928.8236 TG(56:4)>TG(18:1_18:2_20:1)_and_TG(18:1_18:1_20:2)_M+NH3_feature4 9.32 928.8309 TG(56:4)_M+NH3_feature2 9.03 928.8306 TG(56:5)>TG(16:0_18:1_22:4)_M+NH3_feature3 8.97 926.816 TG(56:5)>TG(16:0_18:1_22:4)_M+NH3_feature4 9.09 926.8165 TG(56:5)>TG(16:0_18:1_22:4)_M+NH3_feature5 9.24 926.8161 TG(56:6)>TG(18:1_18:1_20:4)_and_TG(16:0_18:1_22:5)_and_TG(18:1_18:2_20:3)_M+NH3_feature2 8.62 924.7944 TG(56:6)>TG(18:1_18:1_20:4)_and_TG(16:0_18:1_22:5)_and_TG(18:1_18:2_20:3)_M+NH3_feature3 8.77 907.7738 TG(56:7)>TG(16:0_18:1_22:6)_M+NH3_feature6 8.62 922.7846 TG(56:7)_M+NH3_feature2 8.1 922.7764 TG(56:7)_M+NH3_feature5 8.43 905.7579 TG(56:8)>TG(18:2_18:2_20:4)_M+NH3_feature1 7.73 920.7717 TG(56:8)>TG(18:2_18:2_20:4)_M+NH3_feature2 8.1 920.7698 TG(56:8)_M+NH3_feature5 8.28 903.7428 TG(56:9)_M+NH3_feature1 7.86 918.7539 TG(57:1)>TG(16:0_18:1_23:0)_and_TG(18:0_18:1_21:0)_M+NH3_feature1 9.94 948.8942 TG(57:2)_M+NH3_feature1 9.77 946.878 TG(57:3)_M+NH3_feature1 9.65 944.8623 TG(58:10)_M+NH3_feature2 7.97 944.77 TG(58:10)_M+NH3_feature3 8.15 944.7698 TG(58:11)_M+NH3_feature1 7.73 942.7542 TG(58:1)>TG(16:0_18:1_24:0)_and_TG(16:0_16:0_26:1)_and_TG(18:0_18:1_22:0)_M+NH3_feature2 9.9 962.9112 TG(58:2)_M+NH3_feature1 9.71 960.8941 TG(58:2)_M+NH3_feature2 9.86 960.8938 TG(58:3)>TG(18:1_20:1_20:1)_and_TG(18:1_18:1_22:1)_M+NH3_feature2 9.73 958.8787 TG(58:4)_M+NH3_feature2 9.32 956.8625 TG(58:4)_M+NH3_feature3 9.51 956.8532 TG(58:4)_M+NH3_feature5 9.56 956.8628 TG(58:5)_M+NH3_feature2 9.1 954.8468 TG(58:5)_M+NH3_feature3 9.18 954.8374 TG(58:5)_M+NH3_feature4 9.24 954.847 TG(58:5)_M+NH3_feature5 9.38 954.8469 TG(58:6)_M+NH3_feature2 8.75 952.8303 TG(58:6)_M+NH3_feature4 9.07 952.8296 TG(58:7)>TG(18:0_18:1_22:6)_M+NH3_feature3 8.72 950.8145 TG(58:7)>TG(18:0_18:1_22:6)_M+NH3_feature5 9.06 950.8143 TG(58:8)>TG(18:0_20:4_20:4)_and_TG(18:0_18:2_22:6)_M+NH3_feature6 8.7 948.8003 TG(58:8)>TG(18:2_18:2_22:4)_M+NH3_feature1 8.11 948.8 TG(58:8)_M+NH3_feature5 8.59 948.7993 TG(58:9)_M+NH3_feature3 8.27 946.7846 TG(60:10)>TG(18:0_20:4_22:6)_M+NH3_feature3 8.27 972.7993 TG(60:10)>TG(18:0_20:4_22:6)_M+NH3_feature5 8.56 972.7993 TG(60:3)_M+NH3_feature1 9.89 986.9099 TG(60:4)_M+NH3_feature1 9.72 984.8836 METABOLITES_END #END