#METABOLOMICS WORKBENCH efahy_20230425_000055 DATATRACK_ID:3952 STUDY_ID:ST002633 ANALYSIS_ID:AN004305 PROJECT_ID:PR001020 VERSION 1 CREATED_ON April 25, 2023, 7:56 am #PROJECT PR:PROJECT_TITLE Molecular Transducer of Physical Activity Consortium PR:PROJECT_SUMMARY MoTrPAC is a national research consortium designed to discover and perform PR:PROJECT_SUMMARY preliminary characterization of the range of molecular transducers (the PR:PROJECT_SUMMARY "molecular map") that underlie the effects of physical activity in humans. The PR:PROJECT_SUMMARY program's goal is to study the molecular changes that occur during and after PR:PROJECT_SUMMARY exercise and ultimately to advance the understanding of how physical activity PR:PROJECT_SUMMARY improves and preserves health. Preclinical and clinical studies will examine the PR:PROJECT_SUMMARY systemic effects of endurance and resistance exercise across a range of ages and PR:PROJECT_SUMMARY fitness levels by molecular probing of multiple tissues before and after acute PR:PROJECT_SUMMARY and chronic exercise. This program is the largest targeted NIH investment of PR:PROJECT_SUMMARY funds into the mechanisms of how physical activity improves health and prevents PR:PROJECT_SUMMARY disease. The MoTrPAC program is supported by the NIH Common Fund and is managed PR:PROJECT_SUMMARY by a trans-agency working group representing multiple NIH institutes and PR:PROJECT_SUMMARY centers, led by the NIH Office of Strategic Coordination, National Institute of PR:PROJECT_SUMMARY Arthritis and Musculoskeletal and Skin Diseases, National Institute of Diabetes PR:PROJECT_SUMMARY and Digestive and Kidney Diseases, National Institute on Aging, and National PR:PROJECT_SUMMARY Institute of Biomedical Imaging and Bioengineering. MoTrPAC Steering Committee: PR:PROJECT_SUMMARY Wendy Kohrt, Chair, Russ Tracy, Co-Chair; NIH Program Manager, Concepcion PR:PROJECT_SUMMARY Nierras. Euan Ashley and Matthew Wheeler are the PIs for the Motrpac PR:PROJECT_SUMMARY Bioinformatics / Data Coordination Center. PR:INSTITUTE MoTrPAC PR:LAST_NAME Ashley PR:FIRST_NAME Euan A. PR:ADDRESS 300 Pasteur Dr Rm A265. MC 5319. Stanford CA 94305. USA PR:EMAIL euan@stanford.edu PR:PHONE (650) 498-4900 #STUDY ST:STUDY_TITLE MoTrPAC: Endurance exercise training study in young adult rats, Rat Plasma - ST:STUDY_TITLE Untargeted 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 University of Michigan ST:DEPARTMENT Biomedical Research Core Facilities ST:LABORATORY Metabolomics core ST:LAST_NAME Burant ST:FIRST_NAME Charles ST:ADDRESS 6120 Brehm Tower,1000 Wall St., Ann Arbor, MI, 48105-5714 ST:EMAIL burantc@med.umich.edu ST:PHONE (734) 232-0842 ST:SUBMIT_DATE 2019-09-19 ST:NUM_GROUPS 65 ST:TOTAL_SUBJECTS 50 #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 - CS00000MP-01 Group:QC-DriftCorrection | Timepoint:0 hour | Sex:- raw_file=20191122-EX00979-A003-IN0028-CS00000MP-01-P.zip SUBJECT_SAMPLE_FACTORS - CS00000MP-02 Group:QC-DriftCorrection | Timepoint:0 hour | Sex:- raw_file=20191122-EX00979-A003-IN0028-CS00000MP-02-P.zip SUBJECT_SAMPLE_FACTORS - CS00000MP-03 Group:QC-DriftCorrection | Timepoint:0 hour | Sex:- 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raw_file=20191122-EX00979-A003-IN0028-S00042030-90587013105-P.zip #COLLECTION CO:SAMPLE_TYPE Plasma #TREATMENT TR:TREATMENT_SUMMARY - #SAMPLEPREP SP:SAMPLEPREP_SUMMARY See SOP SP:SAMPLEPREP_PROTOCOL_FILENAME MiCAS_SOP002_Sample Preparation and Extraction_v3_20190904.pdf #CHROMATOGRAPHY CH:CHROMATOGRAPHY_TYPE Reversed phase CH:INSTRUMENT_NAME Agilent 1290 Infinity II CH:COLUMN_NAME Waters Acquity HSS T3 (100 x 2.1mm, 1.8um) CH:METHODS_FILENAME M004_A1B1_0p45mLmin_20min_MS1_neg_WBsensON.m CH:SOLVENT_A 100% water; 0.1% formic acid CH:SOLVENT_B 100% methanol; 0.025% formic acid CH:FLOW_GRADIENT Linear ramp from 0% to 100% B from 0-10 minutes, hold 100% B until 17 minutes, CH:FLOW_GRADIENT linear return to 0% B from 17 to 17.1 minutes, hold 0% B until 20 minutes CH:FLOW_RATE 0.45 ml/min CH:COLUMN_TEMPERATURE 55C #ANALYSIS AN:ANALYSIS_TYPE MS #MS MS:INSTRUMENT_TYPE QTOF MS:INSTRUMENT_NAME Agilent 6545 QTOF MS:MS_TYPE ESI MS:ION_MODE POSITIVE MS:MS_COMMENTS See SOP protocol MiCAS_SOP004_Data post-processing and QC_v2_20190904.pdf MS:MS_RESULTS_FILE ST002633_AN004305_results.txt UNITS:peak area Has m/z:Yes Has RT:Yes RT units:Minutes #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS peak area MS_METABOLITE_DATA_START Samples 90217013105 90218013105 90222013105 90223013105 90225013105 90227013105 90229013105 90232013105 90237013105 90239013105 90245013105 90248013105 90251013105 90252013105 90254013105 90258013105 90259013105 90265013105 90266013105 90267013105 90280013105 90281013105 90283013105 90289013105 90292013105 90406013105 90410013105 90412013105 90416013105 90420013105 90421013105 90422013105 90423013105 90426013105 90430013105 90439013105 90441013105 90444013105 90449013105 90450013105 90559013105 90560013105 90564013105 90567013105 90571013105 90576013105 90578013105 90581013105 90585013105 90587013105 CS00000MP-01 CS00000MP-02 CS00000MP-03 CS00000MP-04 CS00000MP-05 CS00000MP-06 CS00000MP-07 CS00000MP-08 CS00000PB-01 CS00000PB-02 CS00000PB-03 CS00000PB-04 CS00000SB-02 CS00000SB-03 CS00000SB-04 CS00000SB-05 CS000QCMP-01 CS000QCMP-02 CS000QCMP-03 CS000QCMP-04 CSMR80014-01 CSMR80014-02 CSMR80014-03 CSMR80014-04 CSMR80015-01 CSMR80015-02 CSMR80015-03 CSMR80015-04 alanine 45249.4378816418 63664.7502321837 75864.5768708962 41130.897823866 59705.7295654449 48009.0357238501 44255.7331945095 73692.2378965798 47100.0251418083 58971.1152683078 56901.0823560785 51425.2566721989 62017.0303283968 70560.023058377 66950.2890057376 57848.1435372838 57249.6822262969 61937.3422289011 55772.4557129804 60436.4844261197 71457.2874358916 59662.0919846927 57693.9436707673 57312.7936969256 50930.3595010277 75906.0723628976 81261.3055878591 67157.3485244634 98708.1840663133 63473.2912138911 57876.5633595868 54219.0580956476 60621.1583181739 71457.6100048307 51633.7793664209 68168.3138830264 55138.4330011942 67366.2454473391 63973.9782211571 59238.195375863 52367.6713272524 50527.5841803374 79472.7823935746 62531.8584621302 83019.447627497 90434.476484497 63046.5037316877 84282.5298169138 91332.9927684461 99987.3320673323 64101.4165083205 70001.190234567 70527.4651804155 71756.7504795878 71481.2547866551 68890.8560761006 73128.3767766428 67580.9326655185 nan nan nan nan nan nan nan nan 65469.4248218693 74309.2778365815 72138.2111021684 69497.3127962437 72699.4714916674 69988.0434672271 58828.9179430497 61861.5011895888 77609.5158964622 76796.2349577509 70322.1722045564 67878.6331593522 2-piperidinone 11393.0319310282 11155.5413041141 10598.4038808652 5467.14944965011 10723.7276291721 11102.5057555587 9404.12437207172 9365.15143969589 10359.1263028846 9991.56750403333 35294.4006456829 17077.3926678364 7555.59401541772 14869.0996777294 18057.8517303235 11946.4250842532 13420.8816420657 10507.1461137187 13146.516373909 15610.9154889279 5091.85161988239 7175.93478763597 21382.363921751 6613.44212196004 9709.73004061615 14864.6646829485 15324.8758612684 11982.4920724974 11952.6490355115 15269.2567609541 9813.08669679526 12378.7322862628 11481.5943204247 8366.42152801567 15161.4618567762 7856.71030289529 5928.66590739019 11405.9405723924 8055.11269879499 9649.46644829118 11164.0828700086 12394.9623488922 14209.6600348945 18841.8723080064 18326.5254654659 11247.9526648086 13087.588608066 13851.5560232434 12898.7125219244 17709.8306109301 22106.7050496109 23530.6261231965 20323.2840520204 24499.146530203 20954.2655466919 22085.1751536393 22415.2354116284 25120.0442684245 nan nan nan nan nan nan nan nan 21955.0774004747 24173.1383214179 24240.7951025892 20617.9982056909 12056.4902856458 14880.7922108326 11998.0204039402 15754.4880884401 10659.5010919992 9174.60570024147 11239.4962466478 13231.5637218384 aminobutyrate 48469.5527015768 51593.5512863592 62353.4181063066 62089.0869329328 58440.9303508023 60236.5470556311 62853.5731110014 54505.5792445133 55973.6440141859 55792.9371518951 62472.132668974 77159.7210091489 60614.4435753207 50382.2614094899 71228.3271960413 57031.5535003439 56718.9738565644 46216.828728631 50521.4891458655 53331.5193174265 100096.866092417 35516.9295685676 56650.1182370804 52010.435031621 54169.3634860745 49879.7356698018 53894.4671911797 49531.5847872017 54838.5915780334 53989.6224056537 52254.7246974822 46277.6128181887 59272.0254873423 56642.9944381986 45315.9969793811 57482.6556212177 53094.0664734525 60684.9462927391 56942.965473543 61681.5426610926 54917.4320618994 52713.9127267583 52894.2315639627 62224.8622271366 58583.4717145511 50207.3647894287 53360.7759093339 56707.1432695186 54681.8307211732 56962.5827867046 61935.6576011604 63749.1691703087 69674.4520310512 64044.4664209807 64974.6407760514 68104.8546591068 66428.6688874459 61511.3286362854 nan nan nan nan nan nan nan nan 73418.1430808259 65803.3605210847 67475.3791313793 64567.9462200924 59603.7834028585 59674.3341143859 51033.7306044327 53801.9135449204 65368.5137141462 72443.5616049165 60070.9088600802 60946.327299549 dimethylglycine 48439.6294165809 51593.5512863592 62353.4181063066 62089.0869329328 58290.7100737826 60236.5470556311 63059.0422663583 52390.2320919547 55973.6440141859 55697.1229768323 62293.4357923199 77243.6626508879 60694.8334574826 50379.129643898 79810.7093243546 57065.3284549959 56723.6053326249 46216.828728631 47004.2952689957 53359.9360980865 100448.832284417 51484.4845603673 56445.2372380716 52014.7329181471 54144.8443958642 49589.3500809491 54420.908111639 49772.6856466186 54954.258047856 53782.6297750042 51426.6921019158 48613.31339171 59607.0490804902 56527.3534043907 45103.6079872632 56775.8177580343 53580.8437885031 60684.9462927391 56942.965473543 57577.6427425389 54600.8308199154 62741.3495537738 52894.2315639627 62224.8622271366 58658.3538989692 50364.0887465893 53262.0963897996 56683.7938635945 54515.3596391226 56134.3592237601 61634.9828473046 70049.2140743023 63124.2357816984 64146.8981656289 71291.7008467681 67876.7754225908 69042.2819492717 61511.3286362854 nan nan nan nan nan nan nan nan 67248.6086218148 65803.3605210847 67475.3791313793 64574.8082029721 59603.7834028585 59481.3227285988 50491.5794726287 53801.9135449204 62436.7346529647 72443.5616049165 60018.8647090773 60213.5329721935 choline 443176.669479619 344363.084947252 6428.02312215896 351395.934440043 293309.150743373 284838.841945568 256010.441911446 373795.354945422 322586.902062489 371509.254994165 286510.78570491 233501.601932595 338143.872136523 354176.282073361 224379.399223837 317855.909455803 288443.358911737 306177.260862691 376200.025967415 348341.387681521 391668.421711577 336829.969831181 300962.137213582 275720.319563435 311535.31905629 438283.8516555 443281.773363213 409860.136774049 298270.841745397 463365.014787666 372839.842451965 317130.238744786 306872.978668864 326837.263409948 257956.363525041 341853.223006265 345319.160279211 11276.0249562637 383776.413059932 282840.267238569 279250.848332585 255088.680324193 284731.69051732 363755.707346262 368072.318778238 557759.39607172 381080.571574716 308194.131525492 372841.573125472 297996.120342054 979576.864194566 896558.96858013 944804.724981323 890696.533844921 921783.461835224 971124.09128214 902015.929324413 938589.855267156 60799.07768 59784.58854 62976.1809 65938.53023 15231.71474 12963.64162 15931.97533 16184.40016 873908.143141849 892941.117260785 799998.628084282 971821.278463497 142569.897331867 136929.548505667 165580.848534374 158700.00362844 192518.158569215 198423.567283221 218836.251817841 219207.91152811 uracil 23393.0317518435 17831.9644894247 17292.7790828917 11595.5202668209 16368.9276239903 13278.0253673953 21055.6827712479 24170.7252652671 16484.3537445327 22344.0023438807 19824.896332369 20022.9696077988 16151.7878650862 17519.6142504265 19354.1245565521 13627.8982404584 17339.658438041 20086.5576253608 18054.6331305495 19543.7176865626 17444.1570342805 20987.2003013667 18591.7772557238 20539.4439208279 20069.325979058 16105.1389150662 20389.5944769539 17810.0121581169 15549.1212019418 13385.5691093004 24741.4845417207 18359.7279987353 22425.9632689733 18711.8216033404 21332.4191388422 20510.8604571261 19212.0504731211 19347.7528179268 19348.0402071545 28322.2469918156 18970.759849974 16226.4885773748 22275.2262853033 18869.8917648673 28675.6240805473 24749.077200645 17119.3531887067 18632.1853042743 19853.0288242543 15623.430238827 19941.9850115033 18979.2075136404 19257.8877338457 20348.1258847948 19621.1925869542 21228.8308073202 20739.5707073495 21438.1560600666 nan nan nan nan nan nan nan nan 18916.5831402759 18454.9817196368 22552.52603511 19953.1069020241 23016.6257345287 24292.1136734155 24507.7912817114 26836.573013157 18304.2423828536 17910.0012501763 21520.4497256212 20620.0871999762 2-acetylpyrrolidine 6494372.72194991 4856189.66982544 4360301.61594899 2458875.56903131 4096839.64576715 4205268.11928143 5989398.77468814 4937117.38860554 6073337.31334313 4087578.53866862 11218655.9871757 4251750.92268084 5014958.45408784 4852237.37153276 7543878.47634395 5327062.06708359 5178052.60162044 6408730.91361039 7826665.56958745 8053313.8180972 4634491.68706662 5913706.89196926 13916923.4167741 4884828.59268976 4512509.72388671 5616870.38393475 8642975.99832574 6883264.73872038 6753762.69688697 7867331.13425054 6055613.00746787 4628871.68508317 4542304.31091865 6722650.55641351 7721558.10297854 6377786.53432534 7163595.05770315 4339598.46920489 4970242.00984313 4593986.31265053 4654879.85257118 4003064.60666184 7027666.43443536 4602024.95369063 3817257.93549829 7996254.60027523 4720289.67814532 4526123.98526766 3148033.57955424 7143174.90571899 75544.8077662476 69280.0036558166 63327.9843918795 69629.6986768284 68085.0029656595 68590.270291001 74976.4443122895 74016.3831335288 46463.87955 46997.3878 45978.84672 45566.49365 20202.64537 21528.74092 16838.82241 21244.12679 61799.5126922418 65678.9285848742 71156.3817546547 90711.5839323554 4612352.60090624 4605439.58958634 4814758.47954233 4987536.16457147 3451660.84253801 3607055.59450724 3932149.91183054 4079905.14028418 proline 811364.501820801 741153.169104455 592185.76279362 490534.025236807 626252.920377757 730458.154596611 524735.245069667 752918.813384692 755595.068393162 788394.643234844 704103.557714314 732663.586108823 746440.163478205 793598.408985746 620539.880813209 791370.133595554 940815.914019649 819888.005644899 852499.56911168 775388.140172171 508626.077138532 741449.987161675 618793.728880945 703305.965323311 707567.111779881 755196.433489866 776271.431179398 1134363.02544082 702162.555694971 1056920.0828178 862554.605161813 625642.280745849 731969.50071392 685963.245623208 602613.771835994 621494.511557063 871796.010260667 672913.266630186 796626.898803974 635961.23275081 706299.816645356 746750.589323532 564144.325719885 795265.584451171 744064.019512519 808588.71451599 695824.14882462 610737.184896945 656953.056467739 673111.336327463 2096777.19810912 2054113.44937653 2072230.73145414 2157406.14574543 2071233.86759574 2041064.0268464 1962967.11921069 1998118.98207269 nan nan nan nan nan nan nan nan 2009172.98043532 2138453.01247954 1965652.78946146 2060465.35128206 552868.915379299 532543.817300508 578933.533850248 549878.336548482 471279.425703706 482231.602702003 488085.570280833 490848.607059689 valine 890939.563129255 556915.57257979 312547.585669087 276301.877698644 417228.920275046 301714.355132861 327003.249622975 521014.281352065 487638.357619761 525232.825515186 467422.895819362 396602.149413505 397301.467423389 641971.893622209 346358.077322719 554794.438746927 558986.882345102 524800.34069302 530115.767971394 521263.689551572 239884.909820528 423363.560466635 457435.249035746 427811.600028703 535432.350358026 628941.129893788 583412.919899532 713078.988104005 539301.776824369 755725.926218903 741549.265317512 691029.10011558 606897.678472354 524645.212066228 343541.185226462 608947.215665331 745107.065310174 749597.855862883 668276.378289981 578940.502077599 468061.836904462 799042.138281872 456729.578327297 597471.785787972 608212.976781507 793416.505923213 562368.86036482 556594.666407449 648161.006328753 496442.901422944 1296876.87897812 1262065.81164235 1272967.26283917 1248536.50172099 1335081.9659001 1241098.56217069 1256370.8945761 1350382.65896648 106114.1349 80015.74793 73855.0314 81871.88095 45050.37775 55381.80964 48698.11702 39957.43111 1341582.13794555 1197975.57945452 1424723.22327101 1401931.49915915 296743.458053004 266774.369034091 259428.076306746 240679.930038152 377669.123602714 348080.303698876 304662.215396174 350527.187800225 niacinamide 769512.342950461 480601.950923574 410013.798038838 597684.32018471 429426.622252732 485711.295155633 495658.850296711 515694.683167166 518065.848940918 442372.315854553 519594.574084068 493580.689126959 381397.366069196 403350.237360053 371586.491847477 471258.251104547 410441.950220147 661802.814131774 646448.463960782 475706.054963896 411852.174043104 567395.073387559 392877.848532087 439559.789248953 544228.966690648 472920.657720861 520124.446207659 383417.055896112 433884.494647098 530948.901037703 474291.664558802 410205.190410041 365540.207555856 468157.044607875 346361.357270482 474254.343508154 485549.722554211 449547.003582975 409672.950950208 364746.852895784 551275.933714235 448137.441509564 452559.265200417 602248.941989125 507630.132407357 494465.347385034 522108.195694769 440563.062672796 440935.1525161 467873.563794048 662238.493393885 577109.161753665 593871.288993935 595432.050347311 602984.472385411 615618.560946309 613031.966247704 608624.613194942 nan nan nan nan nan nan nan nan 575595.87829875 590879.638969149 592927.174619489 607511.459055957 332595.40914068 343208.349339688 346516.844512239 332832.683288019 300366.662966097 274915.57518395 304128.504720123 249486.914920752 pyroglutamate 58161.5297762159 55374.5623914707 36957.0713938574 30840.3915464635 32267.6307571997 42323.0226781964 44409.3857727123 61995.7457206435 49583.009978275 61574.556025504 49982.1742528704 40929.6166352117 35832.177355693 57125.1151714887 35060.4935112564 40541.4168986533 47507.0967011096 41266.2524370068 53256.5176956782 40238.3718573673 45308.9300419322 44501.1654152864 50098.5330003928 48299.7066468162 45663.8610287151 53082.5888237585 53237.6245462509 52486.4846049504 44172.0524242127 50200.2895408712 46694.9259119297 54351.0984956298 50992.9845189107 57194.1091859265 49991.8762103175 59110.1462105642 67035.519676747 62653.7813443442 49198.356760794 44249.7119915166 55166.2206990516 43936.760760723 46542.966470064 47407.5214244502 41560.5752389921 58479.9273049948 45743.9284043601 44888.2418610137 51600.8476317486 53587.0382979983 51119.7773345794 45631.8290511131 49711.0476109013 53079.2346759681 54720.0337529986 59278.958893506 57641.0136138354 62143.1864408836 nan nan nan nan nan nan nan nan 57327.8569186125 53836.8201662369 52011.1174362516 60934.5410180528 10549.5057104666 6925.36386124274 13756.4337443242 13050.9866391426 10259.185253363 12803.3903068131 13687.622382321 13086.4160596717 pipecolate 73010.9588458695 65042.0574812194 45058.8893779671 43896.4490305027 54597.7914865662 61665.1447410657 56783.3368090004 69773.609851765 62623.1060296464 55799.7645106272 74943.5998667275 65033.0689041462 60007.8181800635 67202.7688065279 87281.7696128583 53617.7057439075 58320.9431887417 71102.2338774642 64987.4215062568 47507.9351438375 80806.5012739446 71134.6001656224 84774.180617531 73915.0944132564 74137.9893076604 69177.4319962954 78615.7254189499 57988.9376678181 79973.2004574348 58498.3587168869 68700.8144223577 63641.1756756701 67922.8312200268 68204.9844428118 55467.3388004184 58671.6543209867 68496.4419343564 59104.7460279174 78169.4673436361 75285.090643659 86040.7945397561 58563.1793311213 82631.6995258475 74211.4211097564 86415.7301836306 72710.6031780656 58730.2598704395 70186.3518896824 66559.3563434474 81584.9223243344 68410.9846531245 74246.4851901866 76798.5231147938 72459.5206841798 71571.7177080034 74181.152521521 75939.5552308165 74614.0899232767 nan nan nan nan nan nan nan nan 67894.9546955002 74627.9248449188 75908.5418519798 73794.8926446903 94868.9233720024 85516.1437944567 80315.6716825897 76684.3145386578 73672.5104217556 76193.4271390775 77139.0646209355 79260.6508477745 Isoleucine 175322.310142955 205004.357045058 157588.215383126 110731.627473365 165496.717380259 197657.395653066 128194.919601868 194388.768924726 173114.857900824 160764.397009015 164956.090854703 162307.203298564 244084.07700075 284370.525647306 171232.642505372 243069.659094951 186313.760527376 158816.62231687 224692.282871927 200792.402378413 148477.479460013 175427.878427457 144319.90739473 184156.195024673 171885.398275463 218200.030509911 191311.910760787 166964.312583672 216947.549771014 215514.508872865 180028.210731283 195804.37527279 160164.006257946 215201.748373877 181144.851418235 182815.749367463 144499.751326816 176197.220087131 167360.154842601 167862.421166741 173524.635970087 166610.494487299 263109.461937007 232002.350866497 217896.190461487 169966.074607589 229052.036315007 192537.188878512 206760.876731208 285048.861978791 218559.968065993 195946.544279754 199320.686918522 204199.561462866 189310.933560763 192275.596755316 188716.749793604 187372.273193751 nan nan nan nan nan nan nan nan 192058.454032016 197024.22960911 184371.362978596 179265.720999628 185749.044242569 185644.825606596 164018.129407187 170865.759290348 199169.543223303 181087.619836264 167467.42686505 163393.396356097 leucine+ isoleucine 597583.749985175 638235.865373917 456701.936901179 301352.398924653 495407.474099241 580352.951236772 422515.274846366 623127.771624663 583633.614018281 539775.443374304 554482.07933414 472757.715573809 654404.217176871 802179.104583722 475391.325976742 668995.38766209 521568.834789011 472952.37297394 741661.635536581 600178.393226666 478642.531160992 613967.522495127 484865.075355614 606778.879862533 564577.799902801 624795.781871173 631467.350985915 544690.819070149 655746.063884821 622946.727238192 564044.089412245 604622.242612124 493103.718051372 677513.413889227 519389.839466905 609537.348253337 513687.11021257 580310.046424641 537439.793790798 541510.792174713 640029.920556241 529233.929919308 750583.390591536 663225.626600644 630470.407202302 617262.56283514 637296.805603404 598650.427824234 689449.682891212 778708.287357514 653298.608920213 596478.565040383 596538.488269667 588614.922297592 585545.845538775 579565.569842685 603739.962897479 622994.132155123 nan nan nan nan nan nan nan nan 600050.581039838 566340.502875062 562245.213271617 597458.553742104 577124.138176595 592796.757000745 571933.080225972 575951.777130845 602117.256696984 577860.034177146 570669.533035509 585669.183135925 leucine 375298.456887292 409311.183995425 285848.548466367 199142.971787695 324411.085403366 372060.300886792 276232.523532047 402382.093824986 373140.896764638 347944.336147566 358863.847248985 313173.587045503 425612.501921345 511157.060312809 305524.160638928 430376.616190949 335524.919615938 294286.912533845 466747.0070394 369970.472656667 304243.96240319 395773.164323706 305033.618662763 398723.439036441 373771.394450303 390855.496256175 401754.727313091 350149.982084897 427441.730361175 402441.002403115 358402.217967141 377005.019851627 320126.843845494 427821.759746008 323597.095293149 392050.541333156 335066.94766788 372226.489736203 337276.763931668 345743.5772863 414152.439419981 353461.207890534 469511.539932919 426941.115648445 390168.213274298 391120.968331573 415571.003129363 375035.531642992 437670.839699206 499189.365575736 416109.403461205 375431.941455048 393867.335814462 390256.01207089 385041.821422562 375078.668691992 382918.863501164 393620.576167419 nan nan nan nan nan nan nan nan 386021.751027982 366685.927437001 362992.867190895 377604.845657721 378671.939856025 407787.32490597 378756.872542983 380830.193587175 405490.051364675 380106.018573283 373793.766120867 378212.818463847 hypoxanthine 156755.454424239 176133.174615721 151093.397990375 100731.442544166 149983.138168669 197121.068572362 149790.527846694 160565.651140368 161312.508075837 152964.326208776 147093.219887868 128324.052106757 172089.536766189 175374.010168255 131674.507454305 179444.037384186 164948.449041094 133187.159409937 196298.017425808 200094.647669584 141671.133509032 179885.702483955 136587.512313582 127054.086995951 151641.854879127 153291.381248415 151243.233595899 175381.917630786 159765.986308932 174847.595095923 140372.56614568 146524.509475433 123949.065698372 145396.726145558 135748.705380025 140845.712885693 143412.705264859 153233.373385266 137521.533249782 155223.883140188 138485.201483631 132372.648448787 171829.834618432 171017.922913039 171502.523551837 118749.521808771 160974.058649211 148213.182007716 156246.439479911 203709.550501769 188500.251240614 184641.499643199 181772.519536049 174513.500998453 187886.435112377 180546.311002451 178600.457897668 171177.756998221 nan nan nan nan nan nan nan nan 178037.855383234 178584.769140837 177985.1800185 178844.537210032 188841.523843667 183116.833954294 177337.964486084 179232.494553727 136452.080939012 134803.702618273 128902.625706602 130016.132610672 glutamine 28458.9536836866 24639.3210739189 19031.250712949 15629.4220772018 19042.3023217936 19620.8130861221 23040.728795017 27325.7397930762 24124.4654960033 26426.1240079413 27554.7114040253 19314.2879096006 18090.842461916 27631.3976474889 15417.5607670416 20224.3085364939 18254.9157535342 17205.7306607289 22589.0114444557 21812.5465712874 24647.2683825852 24344.6327034655 26691.0744888969 25002.1018123196 23576.9802738249 20411.6449297476 22680.6262963743 22681.9640575625 21823.2349146176 24960.2117425079 27700.0220501844 26963.8832926638 21792.4892439384 28933.5742388884 23398.8400009519 26579.2838754038 26832.8517037779 25946.5106706324 20145.9463762902 23597.0589719642 22926.7454145575 26511.4807684588 22731.7251649925 22259.4685456889 22679.9095645669 21215.7967198566 21737.0990998632 21181.0177266898 20470.9942270764 23476.1066175712 27537.5635338868 23764.575563803 24439.60768448 24560.372896021 25885.1666089414 26026.013345302 23614.4700382858 25750.2802523178 nan nan nan nan nan nan nan nan 23743.5355287802 22867.4433473778 25253.60294058 27154.6172811618 19887.6201360747 17406.3745816083 21473.2372694436 20097.9373234903 15784.9583242116 16123.1668110802 18138.2357411207 17119.3799835279 methionine 50177.7003376016 49888.6374770676 66004.3878593804 69315.9882891281 64238.0841175526 56315.1051757577 60614.9307829177 48932.0376836235 57800.2319063522 40858.3247156105 43346.121241593 56245.2191516955 48071.952129908 55742.5016143295 52750.7374875372 65104.2060097888 47791.6733202658 62410.5961151301 55905.4431843653 43836.7218439332 86236.9549386194 60064.6848468325 57710.8582335924 50106.3427543597 56016.0757626105 53290.6368097903 60136.5655856987 53552.1649635695 56730.0935578882 47057.4663644324 50056.008740789 51426.6381679582 60710.1668735685 59729.0031159588 37302.2640745662 55446.1494294661 51775.6922110861 55063.363043853 57229.5502785155 46167.952867586 56086.9178040207 44684.8372153056 53458.0072346462 52695.070898003 44074.4515510108 56145.0458548073 36026.6788361576 52931.5512512089 67084.6484333545 64613.834159706 109058.792629091 100499.991641143 101304.753798373 93779.7178205478 104579.05714557 98716.2696266091 102268.873173942 108784.920535604 nan nan nan nan nan nan nan nan 90844.6107358067 90720.1225500405 106513.631915326 112328.650225356 88630.4389675604 84439.9246867743 83596.4702032817 79149.9729054349 83997.3963424519 84399.8395187686 76303.5668908129 71611.1346299124 S-allylcysteine 1157627.09286764 1199247.58401637 465746.210489743 557207.127452004 961299.161176488 569575.042354619 896221.25471152 996901.025539797 1370340.55956495 837555.025386577 1077540.81684603 834061.815149083 740373.867023034 1381110.564146 1069699.49867007 1475564.18819776 1098067.60709559 1367256.77805143 1642341.08524439 1535529.09649994 1319735.04116887 2003523.79690935 1166882.90054888 1620640.66495777 1662857.55965589 1397592.09001954 1700642.26815546 877882.410492344 1731535.73950275 1227909.44396194 1727746.45876944 1676544.5863539 1695844.84061628 2028525.89795348 1838984.85038167 1796253.78667106 1545091.61939815 1745094.2648939 1494138.19143647 1642369.51375651 1768830.46002968 1256929.56464153 2012108.70518843 1701431.30424778 1018574.72556801 1046669.96297801 1146480.80404966 1812920.82908777 1976699.72522796 1713712.02413029 1207137.70840443 1062207.76346707 1032280.01336674 1012803.23322325 1044618.7272567 1076199.48367233 1114603.58183396 1129304.62833308 nan nan nan nan nan nan nan nan 1035207.44585826 991940.092890523 1035978.66778791 1093090.75869308 1914390.14140506 1986418.43755544 1964881.5689181 1955117.20697877 1842766.39716913 1787814.19558422 1776175.52429574 1809202.28183997 carnitine 654723.50048645 461731.722535786 297225.72499358 237758.956526467 357433.568348423 313816.040539697 341621.978823351 459134.573017125 443634.28404125 472900.870418024 265644.622897257 187885.913010697 204489.948359285 172221.180128621 209733.488065975 284424.801397228 284480.85689378 289147.664892988 268518.263988813 270058.495125385 299074.731102769 483491.187694814 409420.845182066 427157.015258012 463680.262897954 290670.121804233 242582.799171759 272064.228396885 243158.746471575 266043.697991645 442271.414276985 520987.486260409 461874.527775215 434505.47587432 527980.565952156 473307.67457015 564128.722695835 577356.780307463 531728.94778108 528313.226927406 238191.240683862 214573.861481002 152344.126246961 226133.511640358 227966.706632669 254253.668813618 201296.724559591 215499.814793304 235562.954004377 166620.520453854 304401.204945869 280273.738829432 290221.105774438 290322.600548258 304692.523619602 298191.934481432 287124.239966918 302332.278411182 nan nan nan nan nan nan nan nan 299147.696074683 325764.665996322 299668.37895705 293777.301609095 242280.504069203 247975.545956064 302261.140043516 295995.028795901 355282.872663606 350110.39150869 378144.492615463 381651.971833967 urate 311752.936671459 340080.104008252 301261.302291036 148117.714721149 276451.276004848 455326.619745054 337284.728306775 290134.415386535 283552.192458426 250867.093076409 340410.415482542 316231.480396578 385214.020656585 307975.90520861 378343.987841922 295062.420865455 268589.970976449 229598.73123564 273007.968946871 309963.427541881 221181.803018985 220917.522364557 270629.571121581 202348.975566631 213525.806234593 311689.854879357 271112.479478429 291493.980058861 292748.310754915 217864.463275099 260224.213172996 268405.563429001 296298.052306791 267327.389715778 364487.873073503 302650.55125935 257124.100562259 331271.00777748 361580.716423372 394045.906945805 349950.038267501 224601.228406134 298916.991103164 257777.583221455 496839.147338534 297807.256209056 245197.455931312 299237.105017274 323046.699835278 253846.131011218 312836.19980774 298145.315474558 319986.611727942 317039.994506337 317978.178335669 311802.476854924 320048.375970861 303443.275102903 nan nan nan nan nan nan nan nan 317026.56624304 317483.493012729 329444.022684705 300178.089208933 3019799.5561933 3040025.31011699 3091649.96270213 2984043.9728326 409528.169209337 401115.868668932 392775.696742621 385504.278382234 N-acetylleucine 64495.740292737 74204.3839396982 74981.7727002904 53910.5712133605 60331.4203807409 78917.1696400598 57496.1690521792 64431.6861303677 59657.5444884857 76610.6562929452 75614.7666714057 85639.6272561582 87253.3176595692 97330.8902996014 76273.7536197169 63882.187423646 76511.1253981019 59759.3031228713 64049.6617161833 70001.32234254 48732.1706808723 45765.7236063074 53050.8844084394 75432.3548561267 63073.5355974982 98861.8806896997 59706.0051136334 81994.0771930077 76749.3091129618 80227.0712163022 67983.3202199316 72217.819582796 58182.3912989935 64425.2849112777 57777.6465014908 62896.8847346342 57819.5867760868 58046.9719002929 54128.9047292905 65192.1810209368 90199.3469442761 77788.2008213017 92909.3127400812 89036.2824616884 108252.155988498 85341.3318885584 87955.5118143061 71922.3476314112 58690.5818931716 83935.1488428015 85325.1308683345 93038.5649067617 80553.2374257572 81405.9976749876 85131.5694640648 84871.1714331067 87036.2843434164 82256.3020585999 nan nan nan nan nan nan nan nan 86592.487176538 88144.9788650158 87155.910569047 82548.5312853564 59286.9685750284 56233.5636117554 52264.3052277521 54043.1048934208 58991.6976615434 59953.9761659614 54484.2230618979 56301.1813181763 suberate 23934.2963022958 30790.570478841 20077.4555507134 21368.8142291016 20338.2572204746 18675.5365567042 17275.5518966986 20550.1838642458 16686.6611542203 15512.5124342856 5749.88508333291 8664.2248817456 7378.31222514608 7966.28692452713 9307.44303502773 7550.24140084931 6831.89537911985 7560.1077264036 9404.94860214376 6599.59976926088 19239.008175521 21581.6688257299 24223.7444890785 16097.2082886723 23385.5350703313 6786.49648986385 8750.12676803423 6015.69321362764 6222.92826644896 6081.36265262539 29736.1146710001 25855.2817187089 19532.787727402 26391.6789855723 20449.7501766466 28343.7937477331 21818.7729009523 19126.4033055297 21534.9661619315 19132.3644425557 5070.0293305644 7285.72029009876 8563.47522268878 7008.43645798525 5258.56915619974 5393.92867323127 7349.21485304652 5049.34085177085 7520.34815294408 10430.7707483983 18881.578806176 16539.1212646944 22215.0981226116 15529.4971509123 25178.3268354896 21972.9196640267 21066.6433785383 22452.1215404423 3168.267207 4211.651922 4560.591952 3631.068965 nan nan nan nan 21247.7969162655 19312.7796502142 18778.1683515594 21906.4399093534 27455.2970110312 24386.1453219793 29189.6945377705 28854.2396827673 21732.2185240901 22262.1148759065 23995.3920943582 28358.3350399848 indoleacetate 161970.597951187 172258.882361712 107913.507082216 69392.8707254871 111887.432697935 182698.233541789 118306.023130358 127780.689165104 172864.460699717 163304.279789882 152541.885774065 123666.914230207 163376.532553877 190597.419430582 123333.971464969 155813.988189684 125237.225620501 142576.759723457 156950.061452683 220055.987248098 75106.500201122 137471.251635685 86090.0294546081 170762.481253056 136780.749390727 181447.868208552 164476.977927463 136314.453007994 133151.367091854 98848.1712135412 145279.109428094 120115.400954555 113483.610319885 78946.8777037217 99111.5680528204 108260.715478028 81968.026857727 82971.0672694217 127976.744279984 166575.709673073 142218.003133392 106931.311347944 252091.961554427 149894.712019612 163508.433011211 126725.914420539 141658.563853192 87055.3915515965 112597.999451972 206655.948959858 134729.231456023 150132.886626025 133633.817406921 137401.602329218 133484.383270131 138848.113441712 131019.161793215 131731.892569009 nan nan nan nan nan nan nan nan 148523.958503617 130776.470358733 135420.580534028 115815.785825066 116141.893917245 110413.549586652 99439.4878456953 108822.704948254 119227.534624496 120260.733591674 106557.18105931 104313.33572296 serotonin 39872.8615951568 13154.3179242013 14688.7063484352 31832.2237168177 4713.61926171681 6426.89633297892 19994.1027988761 4049.6542609365 18893.1316597223 8848.32987901448 11477.000483362 8046.52333177778 3973.40565532803 5808.29925650199 20424.5691259339 6752.03218920906 4459.10928375207 27914.6783159281 23387.8910480259 24395.7677866535 2867.15077983268 11548.1084872033 12205.634214563 12794.117725692 21385.503625172 4030.36221450805 26012.1403918634 1181.02939513279 4802.21400862246 15020.6999492559 1336.43063057979 256.602368054238 931.792240192885 966.483461087188 1632.38804642887 17447.1123327062 8392.86612014256 14541.6461234676 4612.42431198473 18034.1107612682 5406.17714894916 7366.95080985703 10926.699523056 11137.5897486967 36745.8484052446 3722.43092797705 18563.9649861365 10185.1368768116 16592.4608539608 9688.15511072696 11627.6869300014 11963.5168595168 13719.7746875067 13109.890773524 14118.4702045455 13751.4940355631 13173.6906854671 12807.8295499883 nan nan nan nan nan nan nan nan 13719.865200346 12802.1791471723 13322.4213901476 11549.2968933013 24349.3728632471 21689.8169319543 18670.4496757778 17543.2106667544 20466.9232326128 19861.0794960016 19567.593042414 18490.7279955956 hippurate 315890.34484086 593403.77685154 291287.267207058 280004.583214789 465579.753219931 372083.371363946 694196.044391626 505273.688010138 862328.247988331 362489.011737932 519091.535382673 465246.074753647 412379.825141468 563100.630407236 540606.240145311 1153772.41490359 872274.194602437 852097.86080175 1432639.58683194 1468578.69108306 389154.657355586 889954.895552473 268820.140156468 633643.785561447 396398.672945533 552710.291623484 817786.270699649 516405.310259593 504444.471980792 707306.564303622 354360.261263461 128396.605677399 31811.8279247362 192007.304958733 473418.255931718 351392.149208328 707709.087392789 511346.981614022 1023367.86435461 274231.325060148 435801.016628313 448070.719980056 129402.04497293 857388.719984274 359574.693939162 351473.669622271 736979.853324185 323149.808007218 485379.21622164 761187.418480644 522361.807572419 525949.328218203 546226.985338559 545908.279157064 556824.819640868 557504.752666955 574436.142871945 569636.306620537 nan nan nan nan nan nan nan nan 524616.161324387 549402.753487925 539996.905671221 569258.290998566 758837.206524184 779042.937099601 879268.322207709 864699.587345128 623024.385197479 646094.111613441 690482.480186876 689477.855678391 glucose 216039.132839439 198486.832031174 87285.2097670638 86902.8594525251 122700.196779993 100989.189666448 103173.090130705 192289.142225098 153764.357827138 179156.04078884 108749.469955918 87675.8483928064 120686.973776683 125602.093996828 81695.2395425865 148938.809255605 145231.809098224 132396.664565646 121953.742786181 136890.617880763 98769.1677603765 137724.304820102 126089.882598376 181089.683203731 158364.026759789 154280.988237396 153532.176947828 212821.063032048 130101.132855255 198355.818970513 214382.115556306 166133.914729572 165625.932634684 172190.28121166 152914.804927349 160234.214143284 211081.803348316 179349.684241321 167613.792237015 150934.553380017 143945.048793113 173448.308433528 128979.523449426 144069.199719822 127292.173071864 187212.125636546 133640.177557784 141454.203310426 138437.915002343 107080.536399427 406865.086234769 405971.577967593 358188.105400652 399017.34964092 369629.549848192 424595.507157549 368793.913632245 357417.475033358 nan nan nan nan nan nan nan nan 368615.36352468 381062.652744968 383892.205809124 394474.236775363 129602.706998479 125845.595752238 139543.294848025 120456.44511622 79922.4201988242 81823.0577818806 91146.7191249941 96310.4495674542 azelaate 11250.6987731774 24918.8651235387 15819.5846670455 15752.2883263374 8794.86710282823 17407.0034310909 21212.2425815258 17631.1090871969 15249.6297814934 18260.4926419687 19142.2431920349 27798.923230283 18866.1020881913 24454.1055190102 18834.6559404075 29808.853539808 20935.5014842587 18266.8828164919 27567.4120009369 34642.3621416681 13556.7850659742 12895.1330182198 13058.7566821465 17652.8624152739 19414.0416485033 18588.8435958818 28711.306103608 20174.2095884669 26382.6238514308 19375.1804488762 21165.9591156563 18755.1430725321 13476.974498112 17385.2747645316 23758.3504120851 17802.1135155272 14777.6222434199 22340.6504726036 18879.4852008042 12364.1969880468 18676.7456100577 23841.3792960319 31225.0015458705 33694.3522083284 27496.5837994406 21670.7563069818 28148.8232575506 37328.0682720743 19704.4983205725 42779.4361112909 31499.6240654979 32494.8427000267 32692.0765528277 31751.8777968961 33012.2314756903 32379.0412624066 33078.7425738246 32010.2323524475 8680.453917 8823.446577 10153.26044 9147.074553 5959.325482 4888.59131 6100.167018 5683.299765 32821.5141105723 33654.164488883 32132.6213400251 27688.6138564529 17850.9704057411 21285.2189525453 19933.2412388829 20703.4967292841 21181.6443871734 20403.6510930451 21098.3404504496 20306.1601549472 indole-3-methyl acetate 9552.1461507205 12160.4835856155 6262.99637237192 5768.60552497671 8325.39753221783 7190.19773809163 5517.46848907644 7467.62158974715 5967.5119271963 7580.64208827471 5958.3351206647 6017.04663968687 7539.58926124969 8190.03516449828 5492.87571359058 9148.96860417502 5966.10899199255 5292.64011525419 12302.2107457963 8848.20210675113 6271.30975855658 7021.232619868 6968.46349242139 6378.66156471253 5474.6472772079 6382.62649498134 8026.15683281579 8164.70978958989 8236.90864542099 6474.00332336575 7094.75812293445 7301.26228171234 4326.67050447911 4366.45875341912 3594.09620872255 8251.84489019949 9265.84377242263 6451.06780911934 9086.43239289331 6775.40523568533 8870.11135641329 10432.4539708929 9075.38388105845 7395.14083847251 5272.23307901753 9888.9277409493 6821.20828907029 7363.62576498035 9541.14719359978 8475.0049260003 10616.399922073 12219.0599750332 11937.3771907193 11762.3670528079 11070.7978412614 12135.2841547222 10605.3478493957 13000.338062048 nan nan nan nan nan nan nan nan 10866.8158475492 9285.47538294831 8883.14775506294 11853.5593402234 4378.83145526929 4641.09715033533 5965.13157117974 5749.11122389518 6165.06869218048 5669.80169356994 6383.45118273762 6347.33427016396 3-indolepropionate 306158.083424923 486833.406591611 352296.955668446 273906.173843595 469897.40066991 549062.717419881 293922.758601903 337566.719099329 362154.263424783 351678.260077164 320664.230164097 264689.519841601 321722.741068707 362132.994251307 271711.763349293 467111.836520248 339597.653314032 344519.849587191 427401.671111794 387860.937267576 358577.053782772 405686.977462086 270748.932595637 381418.590262425 423701.758531026 443088.134719414 354752.068421451 387292.735329683 365183.908456915 421724.016225591 415958.054077964 423415.170048691 403916.987143177 456477.814609072 466392.777863497 450116.292803523 400421.981359676 384469.881435218 514927.437760815 397550.932230955 379734.431467747 427052.752877752 414729.783483773 461668.036270364 349386.233771445 393653.299392809 442136.986643616 417572.041219411 408767.725776955 462846.868234234 430043.989719657 425241.199159924 408335.964628091 426515.126263823 396524.273366571 414514.511210705 415795.794221141 397093.602651977 nan nan nan nan nan nan nan nan 398009.630958342 416087.867337466 409452.037506563 383328.832806654 272951.031985741 285636.718284444 244370.002681214 271658.535251101 326369.751316149 298880.464032107 272776.711143635 263658.175956728 N-acetylmethionine 9349.94268659639 10294.9719948557 7540.31225279413 3857.15758677868 6847.65118977407 7859.48505206374 7190.91856591383 8971.72885600018 9906.61259898737 7629.50331404742 16589.1715460993 11203.5562299716 11137.072683591 15453.1420377794 11047.1886659068 15093.0889144763 16274.9799580391 11061.7756211265 14504.9037693033 15669.0292498529 8169.91103222025 14309.8642710146 9748.81876999334 11566.7573100215 10040.4044239973 15464.7294927352 12642.6829516154 16479.6890746266 16197.3837348262 11824.8604213077 10275.0410393026 14917.2016801325 8140.55695345282 11904.9811211195 13103.6084740933 9902.69997529124 14110.0641704933 10373.9376661005 10971.283655153 13168.8372962149 15244.6600122799 14520.9028062938 19165.4804491416 19059.1132532758 17332.1970781271 19898.4366516173 18870.6539783639 19774.8977647122 22394.4921909175 20514.8519454554 13254.972152609 13359.5172206793 12847.3625827062 14870.7952264833 14742.8336389654 14632.5619282656 14590.9378646939 13540.2171640929 nan nan nan nan nan nan nan nan 14526.4132101277 13497.0374978773 13734.5662344417 14635.8931912613 13275.896561086 12501.6792659176 15679.6470238797 14241.3972337714 9507.80028369275 10379.5851779763 11084.2813527805 10274.216731522 citrate 115825.056375264 78756.8051521506 36811.3532377744 16078.6942700785 53163.0295714213 52486.2904103343 102053.702896936 89067.7090540191 87956.259555797 80097.0274955995 169235.014781173 118582.967328095 102162.74177157 112953.04482831 134742.947538592 97011.1233278382 99720.7207216302 78418.7369738432 109983.783066704 101153.515001152 51896.9391295657 52201.994029473 139441.872135871 76280.6859095336 82043.7516359426 107171.947754079 100180.532543042 82836.6622016675 83260.8948436721 126237.090385279 92925.2107764742 97824.7382995373 89260.4111432264 102340.138686291 98368.1140483092 77527.9129367625 85019.7133050191 113137.958220849 101024.61251613 91803.0408080199 99257.6390956864 95236.6315178424 99119.4471076233 108176.12874732 110521.468925175 89741.2221181472 115787.479456745 100811.404913441 114600.469385416 98740.8659054335 107906.582819458 96532.2763715777 104705.301985748 104184.315392908 105934.412111234 102680.690966907 107187.47873064 105650.223493807 nan nan nan nan nan nan nan nan 103296.281307631 101073.629581789 104267.920900306 109488.392870096 120085.919094966 122037.299852946 134061.934461357 140077.545968379 49500.1999143906 55951.8502728303 57612.1472161435 55565.4764705091 3-hydroxyphenyl-valerate 11811.3839596874 11425.713115301 6251.46580979324 5695.78670472531 6442.6848499219 5702.46028341824 8340.05726992312 6672.0737525868 6653.52331193336 10069.1890417833 6169.7294155483 9836.67333831383 5759.08698136998 12196.2279304964 7879.52733501144 5951.78620817185 10004.0250341209 7544.71465637981 9335.62830740131 7095.61489336242 8971.33658013855 8890.62435096496 5540.24069752318 12713.5748660444 6524.05376461661 9064.72712343397 8113.22832143169 15821.1265017866 6888.44204931077 13383.0029508344 9957.83989533224 6494.74701754187 4917.31272001734 8476.9680556695 7327.61686605989 7769.61440504967 11516.5999581974 13343.5542917159 9724.15593954394 5641.21182141961 8707.19978521288 5201.66936432745 9049.99402729633 8669.38376098516 11652.3580441677 14522.595698497 5415.19634624948 11132.9818182197 6785.43748303978 10495.1458935518 23078.9138532393 32828.8815616034 17990.1953897584 26723.6501041344 24771.2058581249 27765.79826936 27217.6206878928 18048.8804405804 9724.795915 12050.97593 10872.6024 13739.54098 9428.483259 12086.94601 13455.09908 13833.46624 36947.9554958686 35624.6702432258 15462.4653324624 16329.8879786853 6979.93183600363 5883.01662307069 4923.78663148615 4582.75042238689 3888.53290453 4332.1493707851 5243.11062602579 6497.86160487336 sebacate 21471.3034178108 32048.5583662123 30803.854140001 23330.6889478006 26115.8923190207 33078.1974088731 20036.5948731975 26158.8522084047 22768.555468414 30941.9035718241 29181.5759666481 29145.0414555306 24369.1732750781 33572.7256206642 22878.4008777393 30295.4546097307 33850.8888351558 35238.4033067052 21079.4338205248 28264.2436657498 21832.5181262806 24308.7479366148 28559.8976085463 23622.8211054561 18641.6243459328 20959.6633036041 27266.8878015241 33480.8761286368 22865.1951648596 31725.4621119344 30024.95624535 33332.9156147441 21630.1846860027 25167.7670559899 36904.2931285846 19434.7697641828 24233.0577304292 20976.0272920087 30071.5424853611 23125.3147457565 22966.3155120479 24245.5911940557 23281.0154533884 30593.7936900799 24823.7301132742 25068.0864835138 27010.0290482336 24723.4230252987 19703.3284417581 31240.4798171774 89840.1443845079 89228.089065635 95872.2712772984 112828.945037397 112688.932868944 119761.53173326 130799.192518365 127341.162464142 2422.316642 2848.62575 5048.653035 4461.147194 3137.066859 3629.261179 2760.328201 3539.341823 88145.9551346492 107434.758106585 119396.603128532 123761.469907089 17726.3603213183 20516.6843605792 34205.7049695992 45531.9386811576 26952.7224999138 23090.7648066453 29483.2329288808 31164.7210566596 Car(2:0) 1698513.86826483 1369545.94800593 1127876.75867515 860014.850687403 1231635.20543235 835283.804601256 2145213.67520564 1615591.81955938 1498470.03261988 1014252.63706673 1531321.13731404 1483772.89079193 1199812.26027366 1399006.15627856 1553522.37746792 1423816.33483191 759924.4173474 1203780.84332113 1555003.64162787 1153818.32870902 1924765.53081259 1544331.17994246 1984180.50070924 1789239.63816772 1787316.04224037 844254.997632666 1546778.85809147 401480.398704427 1160135.05177781 450712.586327836 1491517.69898273 2097433.5673049 1309048.43233163 1556823.66154248 1659395.6693861 1902190.89424293 1057905.38483621 1817045.03238955 1455251.52392635 1845746.04925497 1613406.73728723 1524477.21509702 1961059.19119508 1322303.94512617 931188.244675098 693574.753009932 261817.881975064 1603959.27450135 1478443.15804508 1681964.81745203 180715.36055155 148595.111388452 178812.029833662 165081.259395664 166554.286161416 177512.937247772 120078.207433553 155121.890857382 nan nan nan nan nan nan nan nan 224529.653494141 155451.60576139 183218.532882719 134800.273744046 2713216.08588804 2651746.61348766 2459279.2174864 2459993.23316354 2138139.81154191 2124147.60751119 2084482.32671057 2142491.46935159 tryptophan 4314906.03331083 4877750.68300252 4012853.7230414 2630435.02444626 3753779.89791632 4179821.23613873 3612742.7566895 4557779.14954864 4453156.54423446 4092988.75978671 4616092.45905858 3823696.54781733 3724813.11123362 4207147.21377999 3529569.48268498 4452346.21796307 4690541.12823879 4203044.20779339 3889423.56347544 4439753.47947143 3983450.66357067 4204516.3652889 3689450.24802932 4440761.81505526 4057175.57410211 5118184.09018371 4496176.45918805 5084780.20196345 5093690.35107472 4310629.71343099 4639708.01678022 4677725.74791267 4129521.5623495 4365093.7893037 3972185.86801276 3958944.0107975 4390292.93910329 4432560.34688272 4047656.84561082 4276135.83662329 5136566.58759592 4829198.09055656 5140699.33675941 5488476.36199266 5043183.08094677 5485677.25173595 4998714.13928599 5241284.45089536 5175758.78009814 5623172.32524974 4539603.86509222 4968018.89555148 4750167.40339996 4839978.41279032 4981473.5176213 4619701.53303088 4635186.5320679 4624538.93201099 nan nan nan nan nan nan nan nan 4715203.66688577 5169975.38881708 4887002.20980054 4540631.30359222 4826361.73073221 4789637.50637043 4135334.79687959 4191379.02972772 4960035.73857607 5101444.87839946 4455224.88679247 4394560.77019182 indole-3-lactate 18639.5443882678 20572.9299913931 18783.9551451427 11784.1793547453 17286.1862156188 22177.8547417112 16413.0617566756 17356.7581828346 20623.5305510663 19879.6735829611 22904.5841774221 14001.0394886508 18740.9595224773 21498.6761834742 17620.2180443494 28651.2069800695 24060.4923835396 20802.0429040267 21043.7237060704 29123.7963366288 22970.0069229199 31308.0138286334 16441.1086368208 21180.3863845543 19665.5148058598 27412.0899805499 20546.4240050329 24569.9918692485 23360.8159868467 17296.6351598326 21700.053554513 25771.0746337167 23509.4764809927 20268.5285842411 19671.0236298286 15046.4683796791 24642.6215064019 18593.03743375 20379.6495431892 24719.0506290778 29294.0277913413 21578.1988788627 24687.3606879789 31432.0837115757 24101.8168848999 26052.7552444261 30834.1268512503 26860.3952545039 30373.7604066753 29264.2730061164 22533.067878925 25556.6566256429 20656.6555576056 23776.2559087233 23433.4086691111 23973.404188496 22674.8245294965 23153.3792216509 nan nan nan nan nan nan nan nan 24911.0821333435 25256.5349053194 22219.4616102853 21143.7380650521 23988.9016403615 23327.6963935282 24836.0440937131 23729.9497226112 18177.4154948075 18192.6442356998 14765.0163690841 15588.432389951 kynurenine 43178.4590173814 15550.5527000428 8394.84987144124 7011.64959589467 13391.720615679 11771.5081400259 24418.2158304039 22621.0281889408 24989.3831356211 27102.1997185085 32052.5901459817 22093.1211567974 8993.78945556592 24893.2712534978 14550.8236967367 20170.0758776338 12986.8118867887 18414.355128876 26916.6435579762 16316.5431283819 9913.72819806094 11959.8871900811 29265.8512078397 14879.7050946992 23101.8995968948 30852.3343878884 25929.988747042 16362.8829915192 21654.3277331888 14826.4253465924 26393.3582303478 29713.878282435 33406.5009596345 33276.6080393685 24626.1350412529 19672.0018291125 26014.1924253236 27552.5190110933 16517.3956568645 22161.2732042363 17943.525232742 37534.4535607178 29634.1368308286 27524.5215832598 47997.5440663586 24476.0630753993 29927.2860122122 32667.6665364927 25020.1210426109 34405.3223023817 22645.9906352093 20502.2877623887 23575.4865871998 21906.7834372612 23866.9147921707 23282.877359938 19345.8254707064 24924.119147924 nan nan nan nan nan nan nan nan 21851.2324081502 20300.0287461649 21649.5430495608 23067.3553977656 18822.1666239352 17351.4778146186 19204.767251589 17798.2456526133 15522.2198525931 16117.8375449993 18076.3131217394 18610.9562358723 3-methoxytyrosine 5468.02290137163 4229.9370610651 3859.78337616635 3263.91452462874 3936.71609967195 5585.73373110557 3681.30279226674 3034.57853512974 2759.85317258077 4761.28847710496 5108.08163264476 3521.18407967302 5920.45465191181 4664.67269909339 5335.59937429975 8685.44327478621 5033.70099680207 4027.29876209736 5691.12180551358 6188.52658883498 3231.54924491361 5882.1139543099 2708.17524300163 3227.27443293332 4265.06542882006 5684.81344998895 6392.67472262777 5962.27597247454 6427.97734504513 5041.52787034793 2469.58836096765 5016.06899488923 3627.61288783635 3432.20937689148 3963.6314875513 3481.98009722282 3188.86958718776 3381.40326436785 2826.06595442775 3161.11994717354 3805.57593212603 5240.2067280241 5193.95189729518 8427.87346295848 5639.82786942133 4322.86835867897 5151.1344266052 4933.3491546833 4696.12522965789 6170.06240090824 5955.23365784148 4781.67292196999 5398.05025757341 4843.59441529017 5324.81778447043 4917.71271976961 5100.8627934247 5186.8127506569 nan nan nan nan nan nan nan nan 5496.14558702678 4498.2019076215 4514.71681702049 6299.01972227933 2924.04527952893 3334.34244644978 2899.91337104347 2932.56293231702 3020.40331206496 4719.87474690111 2993.08436122813 3947.63342599124 Car(3:0) 541830.221628955 900415.096815521 853969.716509287 465632.15332177 978044.365727553 965032.453634967 743068.989963013 766928.786272053 744696.635577341 746693.747527608 503427.581457255 363820.458886758 275766.284269745 288335.607433982 338460.603231767 675855.379368836 483778.4383123 561274.311864343 387886.029429142 557333.407832413 956011.304575178 1486193.99257431 727847.785428614 937354.916831019 837240.84209916 514553.635478847 458052.878128377 276079.119859678 515349.431229422 244284.52486603 630610.644301789 904321.34527735 922961.761180821 989392.857538731 1164406.77922818 978844.894223044 645758.689241209 823190.073969026 700720.972406206 1118099.57293452 502016.491913888 420368.592647836 436182.12015377 442074.484337434 438110.688463026 280998.805706885 468364.96707709 554528.334294798 443471.69834005 453099.328630653 114895.078028679 117883.064000499 114731.895635715 108475.655253686 110031.524676658 111058.554881392 110080.719858964 109699.969205148 nan nan nan nan nan nan nan nan 115063.326931014 107153.748775495 110199.852668638 111881.220684793 1667234.15954857 1693436.48330473 1793986.33964703 1767990.23648051 1471431.39193686 1498514.89827372 1504770.45241563 1498509.19074888 pantothenate 613657.743745477 651508.494023184 474529.731470978 336634.082870915 488978.323719502 566469.815415098 503467.148382315 780604.797909815 586948.305133238 707487.099851026 405357.6103097 345024.199463848 421199.232418782 492402.551148044 380053.185290807 414068.780528471 366337.2673284 359471.605392652 471728.979970809 497647.336840662 453158.019042868 642708.524420768 493349.350257581 616275.440986512 636904.588101265 438599.159627068 387189.92684887 411155.860773596 387471.927218655 447869.158537328 687670.000641402 695342.21822659 630827.608953738 655229.755367433 633585.635391576 697663.43909926 662804.224755917 554890.221024078 677155.032611037 693582.75775163 445969.871659355 286752.622340696 343551.838638944 418500.072780511 409844.610632467 518558.389477331 408567.436985282 343135.605584156 425599.677548791 392763.131688004 680599.088943017 609990.3623562 633272.32980479 631453.003410076 635161.0376639 641064.651924271 638795.959030848 654012.078911115 nan nan nan nan nan nan nan nan 609592.524077886 621026.143181203 635396.992854591 630658.855661048 765085.520261488 752984.666910179 783270.638482174 771834.379801908 551882.205002427 560285.091660976 569679.448447323 577702.817514375 diethylphthalate 28137.1088464828 20714.9316247335 24624.2673636226 22043.1558129523 38701.3694821015 26591.5973173179 20129.1086663201 17607.4032655774 20965.7024907472 18843.968579874 13454.7691491725 17849.7131124266 19012.6979319807 22815.2822674569 14900.7390009776 19684.8550967393 24098.2689115975 20121.2010628751 18642.932812363 17686.3076294208 26426.5260620434 21265.8277399914 14607.5408766502 14894.9903636936 20496.787333764 24439.9213469233 17854.7040974679 20991.2438239927 19076.2173428969 19856.8115257852 33080.2651792254 21764.8892638731 29697.4074562973 22013.4301732859 21187.2632454371 16304.2012609405 16493.7926755376 26903.1079780736 16734.1520402386 19840.1148045068 18812.5236513574 19687.6448580512 15023.0000132897 21710.9081451167 17585.0263501955 22982.8399353496 20888.1726252692 23759.3677421871 17463.5183626673 31912.465413052 25817.0152879953 23277.1211308443 28629.3953045791 31384.5928596592 29685.8070961046 30380.3839765842 26324.9135520467 27624.014176845 25935.71316 20882.51566 26341.67618 27993.34499 8062.962387 9522.496942 6678.441907 9927.746223 31583.8820257904 28970.6674265146 29277.806694246 29101.4421819708 17916.0581700407 19142.5859462625 15947.4434416984 15187.9172473982 20825.4316801705 28067.9214876266 20854.9761093369 20927.1277139155 Ile-Pro 189092.900125818 184977.418792935 129906.383659684 108435.330525297 133673.961981454 167059.362919236 165637.171097622 205928.743286731 184580.698578627 196617.890676445 171184.99343259 179444.574161478 138232.211922049 151603.541632536 161006.293908624 146999.591609327 126018.804005751 143256.282885391 159130.799522463 142520.72826761 193009.785693544 182827.864439909 176247.253884723 168432.832215209 136358.875167337 193708.317046906 155157.40452613 200703.507807296 175782.912869801 198149.927925551 232404.594914564 215117.005770192 190833.94727956 179235.496022705 232459.186869012 170143.142547274 218955.869469337 186007.270840391 233449.026787783 203949.389090854 178673.485340946 149590.616327433 200151.207822093 183408.594608196 272802.775478223 277266.003918797 153405.274241514 159906.148338391 187197.591350189 146033.559649561 425707.162990444 424472.372888116 454954.894041134 418377.224767285 450692.075207463 444272.232982514 428941.730943088 400044.93080493 nan nan nan nan nan nan nan nan 413687.799271428 444485.46300926 405536.898665523 410050.59866854 262467.63471578 261293.448299438 271317.54693217 287268.197939392 209570.538711619 227145.50630975 225193.961601054 232426.398922311 Leu-Pro 242131.154461042 219965.918057364 145766.083726411 114699.358479672 156264.247253688 180569.764012955 171767.737580042 261030.227286575 214420.971236015 256635.674756483 176739.836856812 186211.383117891 163061.106770631 183222.471062108 170288.129483296 166888.984510607 165074.490146247 146194.737958656 182082.974035102 166301.620650512 177194.794612659 254621.030805165 215056.41593647 177183.650232358 161524.53281079 204663.066515469 167951.711381723 256691.900029352 183556.270400679 232584.456239855 273045.200067387 248238.809673394 216609.212831723 209239.002058842 195843.513149232 198612.877129352 259052.531368914 204013.843644986 261899.943946401 213400.079999298 194631.386103883 182511.175689261 186376.414648013 196678.316555371 273992.715623582 262006.04626896 168098.40309661 166114.795769701 195702.979832669 162619.949559477 508060.6072027 520091.36268239 577329.557853512 536703.836400427 573294.547456847 557226.355239374 508299.63602488 516962.210202402 nan nan nan nan nan nan nan nan 520332.166020737 541210.854328122 508182.203021897 549547.141981603 275051.776679311 272462.489700091 281291.696150242 279352.032827886 241677.560279006 246129.830564358 234159.112066419 234930.323007794 Car(3:0, 2-CH3) 352716.429147468 479473.647970104 440619.911553405 300147.761428341 550217.902974413 548081.287273692 282227.160766664 359443.48312493 338844.038904678 588855.802499539 326758.127699603 159662.470217333 172357.589778626 149499.968044678 278649.943048967 346365.610385896 339581.625859896 471953.728198705 339215.23852343 470493.078367932 332142.886480807 721686.649965131 303636.25801154 385277.054525402 370982.488114573 280789.846594208 310543.898524552 334204.132793847 311868.085933432 209092.242376781 331929.303570935 377502.010567722 621750.149590625 370617.645520423 895398.932490904 287707.465439938 521122.267951941 378449.192985083 484633.28549954 506116.332163653 227190.698244638 140232.344271244 135287.04566219 237634.712464998 199210.740161895 198162.953465222 189810.486517676 208293.410517324 224004.615472424 179611.000510358 304817.02118512 285404.040755949 300606.502089957 263610.395013653 283147.587519405 278888.503342319 306147.425031934 311679.165327172 nan nan nan nan nan nan nan nan 302463.428030706 279494.196736897 301647.677080902 288866.095010273 2327056.81605433 2360203.89732886 2606170.29896474 2545843.51290521 929299.050267102 880376.184758279 957584.584421903 936400.309773208 Car(4:0) 1579055.47914889 1364970.99357418 1275868.61482103 1074840.82495037 1779896.57708043 1751483.46742167 1329921.59732748 2034898.97367046 2090835.09158746 2272851.03363345 1043100.36259789 708955.524403466 718534.366613718 758362.032594542 710770.64604015 1705386.87102324 1225935.98875078 1796086.95469312 853646.656195661 1127445.32533507 1889891.41030636 2606940.8862438 1428352.17197816 2565760.47405494 1897040.54618983 929998.686292309 1032664.97070145 946216.646032623 1163886.85014447 833811.559614714 1798403.1915061 1733809.63415713 2017419.63952635 2243839.49124405 2885018.81039846 1730229.82886849 1615536.16465862 2367527.83667426 1708416.94655717 2227817.35655456 828206.800946453 831659.985144546 565316.940289483 681867.633448591 733491.736810144 663255.365801609 712082.358749275 617602.0197923 715409.62842845 595087.436727129 502707.719554633 533430.530971174 530225.51447444 492000.970244643 519343.412492579 502733.528251648 515044.578093307 517912.349895825 nan nan nan nan nan nan nan nan 529635.265189011 484207.625714992 507719.045016134 509542.628500588 1561529.97802044 1679992.53965858 1754323.79606298 1828186.50935666 1781466.70487156 1872152.66031403 1892717.84997109 1840502.7314426 cytidine 273150.431795944 238072.644337242 182528.378067154 124142.905357541 178244.697859173 155326.083562318 184582.491027236 238592.398985106 226196.309894957 253386.848201535 263799.199971855 169912.938325812 249186.207163124 356370.634661554 222132.902526801 222702.549814649 135953.12380991 140349.453232121 328741.183169329 238155.902702898 125486.791578187 237631.496462302 236583.829192059 226972.891564886 254949.14701533 231747.383098385 297680.828791265 182365.341050859 273717.843779194 209193.103705099 272951.877432288 266582.881937165 255891.553809596 309915.728588685 179881.76642747 304920.085134684 189149.512906468 289568.29049505 225544.122870891 255456.28117939 210667.815690285 218581.563641415 349887.449168435 331806.079704281 297476.607394279 406801.173995441 286650.071699661 308586.487501464 315890.256764814 336133.285642166 199699.645747246 204490.876654813 199581.019417117 198150.53225987 211035.052825552 212163.043359104 205922.90979517 198597.114836741 nan nan nan nan nan nan nan nan 198599.772110048 197075.578228793 208173.994978439 206339.767435416 78593.6028760244 85834.1001355265 100305.69609308 100019.501177164 65714.8835692884 66376.4314760743 73497.5297079604 78128.9864178191 Car(5:1) 10111.8691791187 9222.66716924144 9095.97007455513 4739.29638472813 8416.65152146714 11172.2387581591 9873.58298024679 10944.1385329847 8906.84093267912 12139.7721642799 32156.3541039998 12232.3031274804 9494.39944307371 10496.1435715483 12432.8226198383 11225.2164100856 8187.49648350312 11900.726022343 14948.5971101542 16178.1475531684 5614.34343180352 8470.11454517141 23262.8837501631 7076.00146503811 9127.57406785784 13744.4992017755 16733.3829743245 11018.1476135827 10352.8276621745 9268.75126817733 8863.87107869817 8588.46348824669 11581.4265926242 9091.14971756913 14923.3214769729 9232.87060822386 10131.0848176598 11473.9440619136 10413.301593005 9693.09160572601 10573.8044604591 8021.12987249234 7204.25539607543 7357.52664159887 15823.4430091097 11292.5717828269 11928.2970128294 9007.36211544083 8087.09560618912 14436.7913884606 12858.7073032824 12667.971773455 10671.9010635427 11514.3418990826 12126.9041645115 12796.278194855 12573.4122193571 10359.5145757702 nan nan nan nan nan nan nan nan 8491.18674780774 12616.0848354806 11421.5403950446 13067.7416301715 17125.0723702864 20423.0616355376 24290.5240631376 24911.7113677904 9378.71698494039 11722.3530221404 10409.8093401535 11957.3995427298 N-undecanoylglycine 110537.447009897 79886.4316453607 78249.7456447632 52584.8212395855 98310.5419104038 242485.919715727 67293.2210063307 106390.080609151 66602.86180463 132522.826604968 39851.6706382916 88409.4396480172 111525.207370423 61693.3258972849 60361.1974679568 63871.5617261368 122955.338025932 129516.438703723 63771.0730689576 65811.5273800216 61802.7756182679 96803.3002986497 90599.9649761115 91285.4744832142 131325.841825666 126530.235802498 72935.895636657 100221.042030504 75836.6123691648 114567.231793745 80979.2999517322 87617.1214235549 77831.3394730118 109250.648036521 99333.4401452996 79044.2217258307 86802.1229114048 79148.0437163743 92959.0881011659 78215.6545366152 85954.4314496656 99222.094974301 52601.5366558927 70766.2182258887 96282.8376338962 77684.7089245281 113632.756461226 71323.316043602 72236.7690270431 64676.4312656359 147309.500915354 147044.582766413 156024.014929642 149725.620100384 152327.019265518 153071.571628607 156762.115149671 155169.56577164 92259.41198 90831.5349 94951.33593 94868.5082 34477.61288 34946.15187 38784.19564 37808.3597 164615.026680597 155364.860400494 159579.440083725 166121.105932822 98208.4462520869 96798.3708612913 112946.641958444 115622.242232304 267902.18466764 272514.10680536 280852.721133157 274968.933399134 uridine 26700.9646423387 24741.4682910666 19489.4701562415 11528.9314554155 17435.5650244914 19665.3156476656 20305.2063737448 26860.826312026 23757.6798766358 25564.5008332339 24059.4870504424 21027.1152726275 20266.8834080837 24759.7528850572 27802.3972568415 17899.9391270865 20234.8603093299 24809.6726222642 23796.4104290519 25205.6944144606 14733.5197917724 25442.6677587789 22031.652701427 24615.7804014616 26007.7535688612 20869.370532024 25105.7551783392 20015.5503981213 22401.1440867979 23835.2813042673 27305.3456205839 21114.7965577506 22421.4141218604 23796.2025354456 20692.2744577632 23960.9241895584 21212.7673555036 21682.7435922962 22204.495024578 33498.7385017996 23448.3908398863 20795.3458662171 26168.0815972355 24894.7165482401 36138.5450372124 30722.1346892901 22688.7822754019 19531.6875773311 21895.4322146214 23861.2537052497 26339.7581020846 27279.0813297483 25925.5505174598 26267.9805212393 28669.1525469568 27537.2010989342 28305.8167306694 26858.0961667328 nan nan nan nan nan nan nan nan 26936.5433210895 24966.8721149166 29447.0826130188 27168.3650213552 27622.790110719 29329.4180797493 28913.1667328005 33425.1631249834 22853.723605666 24061.2415086284 22605.7560395885 24285.9270388186 Car(5:0) isomers 378960.474062434 430375.534027033 424933.606576367 361671.188234317 480239.191700909 452787.703805864 255118.607391741 446976.246041471 344123.151013636 507850.015456773 260053.52527907 151418.903266353 191253.918256276 208953.723969544 189366.673084999 245464.01538614 276036.728895087 293660.648888437 273039.125804833 257862.135357959 306676.871313354 485279.432341835 299205.582333388 390888.230010632 333145.610287629 198477.313541199 190345.310812618 275844.651814484 286060.730905168 182220.823867015 359471.557789003 412356.465477587 527220.572303969 444979.58783504 534932.001028439 392613.091548915 446042.987858131 342603.167921648 337991.292964961 464812.232247459 159564.393616146 187530.41431905 207438.780854888 248958.758864323 202294.107881361 251602.895907204 192465.919016159 225478.499467752 233020.867689241 233516.203817787 304284.981937777 298154.30880005 308374.54999556 324716.804405978 306305.607350204 303072.719271938 302155.156767948 291576.309949134 nan nan nan nan nan nan nan nan 303247.407218461 305880.449290555 298126.222172309 297674.48099227 1104937.97154208 1047452.37592071 1015975.9467418 70912.237190867 528249.190782612 514771.099938167 532215.282430191 532482.623013814 Car(5:0) 413247.836054924 432281.709019444 385412.354236547 339018.755755445 416574.316820617 405676.859498272 220056.861895281 437029.402257275 336115.073373349 487094.937750397 241015.369621614 126410.906623684 179968.857717615 196742.562185283 171143.10715334 218703.210421031 259491.850494335 288054.670782293 269580.017036291 240979.785479191 250921.904166575 455268.425715082 300477.611751363 361161.752579606 309065.909395644 201880.981810605 187057.591556574 333755.415677464 261462.448521993 211406.858377218 383063.457575092 394773.192756853 463775.209792254 388673.248572789 444653.310091088 340782.210209045 494318.602357609 320817.020404568 331962.801901953 428758.983899243 144617.915540084 173656.077924414 178782.33719996 230758.313425249 180445.470920304 292823.56326196 180040.175235506 191819.068376516 213656.778100213 210212.593418516 630528.898817743 603382.71484377 628847.24024641 633127.670538768 607503.949016159 641227.876495518 582517.304864876 621158.932510528 nan nan nan nan nan nan nan nan 605646.53740925 656715.497578607 617262.00882337 594603.381085984 767550.493594024 721558.608716607 810024.207495869 56330.5516279299 388575.15303609 383365.483490141 435616.55154007 437219.097003631 Car(4:0,3-CH3) 870489.582792855 583425.458774178 512623.838469256 404898.774727326 569065.52825566 544314.453104529 456869.882635365 670593.824849377 508439.410015273 799901.237981978 428515.208707813 291960.780934711 151604.966970365 331368.655829887 209184.225695694 354627.166617198 255760.997651019 306147.654590396 351226.395737209 276147.542018346 408294.568478066 562838.128761124 611013.605765368 475600.810518264 504726.600971669 387747.349090545 344547.071020254 310894.014774906 294464.382451228 260449.477088342 683827.181224849 674059.087153234 895912.81062782 696027.282195821 851036.372277397 538621.098618987 738476.893111982 598847.679341475 555367.905092699 734857.996247928 167372.513976186 445540.709593171 302180.557511791 323576.559819064 424244.166238797 295887.855344034 355461.1677555 322981.21070251 202149.726356217 329385.828936774 538777.255502703 534715.809133142 530365.957360668 515762.432250718 517759.484791657 534532.780088349 536459.721101725 567560.300638762 nan nan nan nan nan nan nan nan 532802.861328778 525704.313437085 553382.501297007 534413.558082758 2016610.02734982 2069154.27889544 2088607.5858703 2164318.76159267 567050.22095369 588463.170214407 607389.257221671 624313.300216822 FA(16:1) 35192.2673706954 24232.428429671 6620.06537625299 19983.4606389651 16799.0978666248 25912.0165536431 8760.10084605666 5302.45818648748 21826.2705235366 50008.932069933 19239.7382455812 36306.657249134 16029.1380183775 14268.3713196098 18234.5242151048 24912.8633366598 13024.8211184013 20495.4585535174 29528.1413117429 23504.5450825602 27787.3069801232 33604.5331445707 27122.4017853929 35564.9611817783 33662.4039157662 32296.5153795478 16995.8649843291 14797.7994701821 15993.5832822932 30087.044772128 30968.5831556996 19315.5418115461 40895.1214662461 36459.7385098672 20289.2650103792 32288.3572034333 37236.934290882 30072.8629249581 27627.5119862634 22182.5030176595 26921.4460789519 24013.9267204389 26316.3173552364 27614.7735689138 39604.5968263694 37010.2201931553 21639.0320668942 28515.2866667756 31289.2535005173 22051.0782478132 41424.9849195887 41216.9422927912 38100.8259530605 34709.7006868228 45191.2243045205 38936.9255835658 40375.8726718413 40928.380442153 10887.64269 13022.88098 12728.20888 11058.72026 16854.56109 12633.33875 14593.30627 16036.62148 42323.9216256518 32601.2372882052 43937.7332681317 38103.9837458536 9604.91977229916 9515.73778335017 11949.1307343454 13070.82444193 15574.9372509486 19110.8080988368 20010.8418309309 25370.6648784442 sn-glycero-3-phosphocholine 53496.5013524383 38747.3320302565 27302.0721653564 26582.9539208213 39777.1188142534 34616.9209470653 31695.7466219589 35047.6358278301 35709.0129169789 35956.5279016698 25380.1481784778 28408.8979473071 22368.9148048429 27207.736613263 21260.3568578947 24154.2154204959 39196.3830402932 44482.8081852294 27381.6326099259 34213.3853392689 23627.6048223758 33322.0374501752 21801.2416107562 27994.7787006339 26591.9751408259 36614.035640525 22609.6368407502 44464.5505644162 24387.170096608 42284.4436316589 37816.9550688418 32042.4698792481 28338.1483760926 28863.5039843994 28985.0935154031 29076.7999095197 40226.8866665509 33367.7459899409 44822.3872241276 37226.0967598072 26394.4309185937 23989.3891842392 15192.9960252228 28616.4743218873 30075.5696834595 33851.4635776138 25179.0806030064 23471.4769456203 32243.0540503486 25310.8962817723 66026.3959691593 73414.1636977975 67226.7912761986 69578.5189631784 65588.9805221552 65213.5134622642 64255.8359278547 62955.2947090175 nan nan nan nan nan nan nan nan 65400.9487912998 65929.7899233926 67684.1751596013 60883.8081139578 17796.0404369904 16340.4213914919 24687.9583360973 15586.3497918705 20364.737699965 25997.2687869579 22958.1992847232 22786.8059549031 Car(6:0) 309884.841762919 295102.05517122 201747.863211797 153201.06600003 216195.713454935 146829.118078249 239674.884697074 287722.720905925 241471.033760492 266888.588408772 263742.563220419 243916.206877684 235311.865195458 197304.76919762 176299.076513041 198784.74365137 130997.829365703 198103.661787654 277449.029343475 216444.973827319 248056.085128474 217855.380369486 341117.078919206 307017.368440169 236404.700021719 151944.237901104 215410.426665805 122376.653763134 205757.899885048 156759.693132184 276802.706457724 341654.055216277 243782.711422096 296605.760007188 380974.906329969 386756.748228664 260090.944889827 351294.940527339 253785.463032348 266552.518510616 215926.012356963 243229.130097052 228027.119145765 273668.032043763 142396.591403131 172464.244130791 211002.264608333 255855.335123217 211192.000047895 183222.023250509 106306.619074507 104089.103626356 98771.8669563371 95609.310929927 103064.734058587 104143.734154656 101475.17519273 102636.330531216 nan nan nan nan nan nan nan nan 99716.7568939621 92638.7915038657 99163.2080209785 98508.0049494301 395539.913602313 384741.708101637 401747.652103068 396317.333735237 212541.263553923 214051.949387706 217497.37536114 223036.064713504 gamma-glutamylisoleucine 62186.5559640474 66035.5823366774 51021.7596862866 25542.5806938325 46280.6092289309 58886.5234133051 46415.015536244 72073.410625229 56966.7254416738 54529.42955249 67566.018283126 51713.5083844406 78151.793577235 104767.980824063 64671.512070322 73490.7271539474 60940.8874177246 43969.5822427508 86752.6810529931 65363.1558786634 37900.4535569805 47143.886900464 52576.2838268497 60558.0645505817 58502.2257076908 80615.6085088389 63569.1852573907 51250.041160738 67452.9270537132 61619.3324787754 57390.5237593767 62262.0694990004 54814.0655542542 70493.8866924622 57474.6923295266 58927.828916916 48843.569865421 65844.2068624286 51658.7926033928 53364.1153284978 68329.6812447328 51829.1568972668 101591.824447812 80506.8104712734 74799.4657136574 53944.4586976317 71431.7522657965 64294.1301876482 70898.5118603387 89353.4510142366 56014.3035278925 61267.0737234456 60883.4137090872 61871.6696156666 56138.2198215075 57571.3565479773 61550.4170194659 60016.0320206791 nan nan nan nan nan nan nan nan 60940.5441759776 60105.7013591468 57597.7443296511 57300.095822868 68436.2759522532 66682.8369477259 66936.1176948338 72007.0514818133 53800.7692166109 49218.3203355837 53139.8827526862 53063.064899982 gamma-glutamylleucine 226822.205768433 235077.928362052 196780.05338072 118912.694915049 167496.231665526 236669.378605293 165939.733489373 266108.494374597 198574.345253002 209193.631829777 337734.109476297 222327.580063242 264440.214556431 332395.557402478 231444.410646158 219575.313724683 193256.722251239 181925.817329749 261275.672134425 195142.230522698 176831.081270767 164154.857570589 212099.86062695 238842.248385805 215345.179561675 284737.382547065 219816.253496875 208432.703682269 245653.707765686 207402.05703284 213674.679855163 233572.936785414 213553.726069946 214041.33868993 170968.725942535 214683.320765485 170936.015950049 225857.125117997 198945.392510731 188204.102918581 289043.698530661 227126.101428107 282542.287569726 301982.762146163 291379.149259918 217264.949658808 262476.033312892 236809.258611381 312558.941477913 282303.922604984 332885.759947196 329976.784977832 311260.406902709 312819.82249077 318816.548859649 320528.389192013 326052.557245419 333790.943072439 nan nan nan nan nan nan nan nan 315152.23977726 321582.770485988 334830.992983618 333601.407434358 353843.187152526 338823.538149546 327348.775672339 331678.248876504 285891.028524438 288028.818394938 273316.219537879 266506.512147913 Car(5:0-OH) 175681.36684928 153212.881253524 139808.770236787 75898.7486153279 107580.723948584 129800.635041485 139831.54629213 165737.497058313 136274.586997525 138478.208547099 151170.160221684 127282.548322621 123840.341863393 120144.162913274 143864.936393148 135463.401732657 115322.867528616 102757.865840947 139875.75347693 159532.711038658 100121.628468551 117244.601516054 152097.639390688 139532.011842036 142355.457154008 127342.229143011 156175.432575225 97296.3264757886 129109.308839672 113481.911269982 126869.669225536 174007.649666038 142174.135663781 142238.125632217 182431.180385847 179874.261969819 143197.359179362 196946.484357933 139805.689934323 191341.197944282 122358.692100927 104549.616534122 135075.141792194 151426.756627987 168999.397162704 108302.384683829 144438.587786415 156245.847198837 145862.520127622 140040.907689302 86038.2895877797 82590.4950863937 82307.1443272344 76777.806587224 80952.2680833446 78965.645489058 77398.6477147211 76792.8904249191 nan nan nan nan nan nan nan nan 80615.0157457465 78604.5354811203 80587.851668883 77102.2151736252 205579.88456507 203594.4485205 195805.882139391 202619.095970268 184766.278209926 185713.145236369 182192.930979852 183695.815609057 deoxyguanosine 3036.9865247899 3012.04757528767 3492.09669510367 2960.02282877054 3491.92273881413 14597.5875974465 3909.41936072759 56149.0348143923 17799.2881436285 15967.1994896065 3364.62179627386 6200.19415338868 1972.93679622496 19895.306709684 8459.4022581969 1256.36075329866 2750.52088661698 4396.615764367 3598.22914799883 2592.74224303983 3013.13094010457 1981.94456629902 4071.99303970938 7850.63341846086 7269.98416501724 3939.94863959227 5153.95517255555 4006.10436653733 2297.40750501749 1490.6208352867 2342.92703794189 6368.74258742029 4669.05575490944 4982.79629909003 13453.9145686114 8965.3363747012 7880.05701760241 19018.6798099027 3288.22797836295 106674.363317353 2409.84800311904 3352.33378298556 40795.3670158478 5548.40088595363 11448.0745533486 7162.12837794717 15632.5559671888 10075.3734688622 6688.92482135819 9161.75285389985 13244.2776102407 14152.802398733 13100.5669616772 12137.011449346 13019.2403116925 13700.4193108309 12313.5727467509 12487.9119787296 1473.14792 1153.861359 1211.070228 999.9047217 1896.178298 1524.475337 1756.776022 1740.695465 11393.0094826605 13879.8948813295 13343.2823162547 11198.3562758778 2421.94982039114 2070.14242100167 2736.15766253366 2650.67404607215 1437.47299350172 696.72574681493 1551.5533490614 1805.54203983531 inosine 8445.89448142397 15854.891261631 8396.86179405727 5000.00970375879 8464.97300987342 10573.4938030706 10093.8178309093 71843.7072451511 16455.184292829 32455.4813064687 12072.4594644842 38035.2537753292 19955.279672358 30928.1377022061 106331.137071283 13883.2110036929 15427.8233358221 16924.2963222671 13813.2674632033 20868.8480506781 21744.7942429185 15105.7597874922 13030.3596410877 14088.3228135258 11485.371633809 20898.660783569 12056.853328784 17090.2820526106 81023.5902320019 15813.8767831173 18097.9702477754 14428.0432022421 17539.0465295666 26717.1540041345 22679.6874297108 17736.674835535 15267.8543368797 16720.5986664128 15700.5965159207 123218.728480197 35418.8823215013 9949.43983690698 50668.0296203258 14296.9328137924 104194.184325363 96130.0234654578 11955.0602489236 12632.6022547141 19802.8255030252 14676.1760302763 68387.5774711592 66206.1345157126 65158.7904081737 67386.4428989354 65262.4069781478 61784.8391941537 69286.9493571931 63701.8291116512 nan nan nan nan nan nan nan nan 66154.8647636892 67050.5796066278 63665.5211727822 70146.3746126253 15162.3045049597 13346.7875786445 12780.0110530664 14812.1919214345 12249.8019217677 13411.1244375688 14110.2464511083 11221.1838226855 sphinganine (C16) 835046.10383845 800038.759127345 731651.103781006 788798.94357593 795029.641870553 704947.717556122 743574.627622135 774517.757209715 835886.167447947 855349.936610482 414197.864920168 675131.931850212 740895.061759066 851540.631529268 653289.216052576 822061.511389868 790032.922731473 834889.634142614 797329.777307077 709239.228011409 1088294.18217972 1092328.26804832 337225.983524337 805592.532311611 805600.756280288 813625.447202782 803303.715054203 858096.098079727 832690.655501836 836869.287174757 887729.272451572 803062.713806417 769906.49115485 806491.349193529 345355.055756122 846065.611535894 876595.104807976 833614.397331009 856403.60720252 813440.842258336 792347.485156398 861685.905893325 795465.682948954 787939.178121506 814144.375770073 859096.806033941 759733.800087425 807149.259027097 848568.184113182 794034.956504622 1024417.22918919 1081079.57484361 1150772.72782751 1080628.81724661 1101040.91747989 1157560.96636038 1011589.47681643 1093662.95757369 1033236.591 1005447.132 1028676.348 1041113.607 1044190.337 1039856.359 1064117.503 1060212.517 1098639.41760327 1059537.85375111 1067682.26347428 1140845.33931276 450016.993803447 437536.855736124 663413.448054376 629354.225580818 670899.211415944 682087.008700558 723497.161815638 722906.651514822 N-gammaglutamylmethionine 66041.2874419262 68952.4638198618 48000.3827828501 24171.184589297 54436.0166354848 61701.1377317789 49583.7879270694 68314.0231763227 62334.8364799964 55911.5752348214 66076.9545374983 43826.8820245455 56152.6409195618 67245.389161591 47794.235597891 72372.2251734659 58816.1683209294 44197.2540810348 65011.1858827805 67836.854282199 45033.819597845 70516.5307146723 59478.3969343568 55132.2556456108 65661.562085168 79786.7851166854 55820.8819131526 68786.4869848916 67244.4589132444 57547.1515168836 53112.1464205824 62966.7748502335 54846.5362957333 70291.6631370911 55383.4566939308 70871.0190788134 64704.6876047237 68755.1197523201 47866.8625717075 55013.5053097713 65677.1454412887 56518.0868007466 72909.5667514523 64310.4695825552 52533.7773544774 47909.4786775698 64931.286977462 49749.1486372406 81008.9286903824 48314.6341006481 57527.4979220302 62473.5958333634 60371.4635489504 59066.3957737013 58156.778502267 59166.9929620299 59680.2628170472 59842.0430157257 nan nan nan nan nan nan nan nan 58393.4940662382 59075.1961921929 57815.7792145419 57446.6908341012 78355.6555846784 80548.6296391957 77904.4797213834 79060.2377668662 61085.2931524136 59155.8225702905 57740.2527153139 54725.759140794 monoethylhexyl phthalate 509311.703510799 601244.4883919 376279.910541151 288838.529475056 314883.011293789 401732.427859652 517645.166157984 366863.796401573 383255.329084428 555924.211981791 632413.435703174 394453.90612207 421564.775891934 409682.502760648 496602.296876001 398711.309559103 405061.817354669 382315.797847806 477908.794807934 430463.289549938 457066.103140114 469673.632843766 717955.745279301 440524.531513948 370391.007402319 412277.545543593 432877.912775945 508762.001462967 403223.168253277 968802.606821367 510167.620801587 347000.460940315 384112.093656657 826572.966417382 355114.444110254 311577.801730339 489104.551943273 354184.848025763 357845.37772304 376246.101290081 437585.084054542 434715.349545432 438174.338701027 360418.397152857 411398.983257242 577888.961571613 448262.204933196 453931.911899714 480347.875190376 356819.924255684 1291282.25951548 1149450.31051596 1205929.35906723 1157706.56620983 1216656.36954465 1209579.20486488 1299580.24912092 1233200.08277527 421189.5971 414595.9451 454737.1303 438660.0202 607928.216 587417.8939 627126.2988 634029.9571 1151693.34695118 1145128.83931194 1196307.38831921 1296346.47263806 812282.965347014 820108.00664755 1044502.03766394 1032908.05020885 706070.89967015 738196.042727577 872843.116746977 906434.422074877 FA(18:2) 149460.823515023 122477.330227917 90295.8832551518 92365.5111828889 91106.5729113596 82399.4032949776 90118.5820147965 104417.994973082 109184.061918702 119722.549504458 56610.1923632362 88912.3130666637 101840.513065403 76752.045127633 84358.464717521 93273.1198348255 75147.5445715348 88435.1339349927 103652.270409877 86568.7916681649 103996.898761259 95228.3478677948 108028.206361397 107112.153551082 115551.911044419 79389.9671355194 74495.8146611206 77763.2459438336 83179.6726754926 85801.9713826128 111011.338827206 125108.571275749 119572.622124287 113056.693031725 107519.190910747 126251.789167567 125862.720242583 133317.299574763 115427.719198514 106975.468549023 82465.159010301 88131.4407324415 82041.7008814047 91985.4163005404 84518.3356298203 63862.2025642556 75914.8900361073 94952.2598817437 97178.5841166304 65367.5771503347 135102.558524511 127243.296020291 124209.223772594 114693.975551339 131842.733751724 129443.371458101 115302.992386831 115024.466386993 22791.78289 24759.4083 31838.20804 30270.91447 31343.99279 28067.05275 21175.00271 28029.27357 138246.050260455 114856.312722739 131392.589196607 117638.441114461 92697.988977329 101217.499135013 92567.432160287 95269.9579875896 95911.3313330408 103422.836982889 87696.1160634673 96304.550306556 oleamide 647110.923326554 776033.27987988 728952.387570311 826239.53621763 578161.989831693 569052.109972345 431154.249105574 644797.688218749 276517.145459806 564293.606297158 272093.901020826 425649.982838714 503314.763361736 230736.422938719 341616.231617411 151274.303178179 503951.267232819 202565.818344135 312189.832072683 636792.235835302 523212.095879344 278329.150038446 861570.864269055 715647.658709763 820538.57716262 931463.283263708 371125.15291564 959657.23700079 320352.73797867 549550.248957476 854385.998196556 666208.537246394 215556.508204549 362529.485977801 247909.419386733 548790.953110758 263704.932525838 191488.705664344 454246.995047212 269709.37214708 286606.145811652 314260.078021576 150285.751554654 430875.259039299 307460.629446237 476717.675946429 455113.111634284 268423.387888784 218023.232218083 183076.37152868 2946416.99119934 3235526.21179547 3045877.36943616 2944898.29031394 3163448.42560347 3425540.96000933 3020352.90625689 2900544.77788601 24845.78704 28730.19282 22508.66327 17653.41834 40568.33611 32158.57945 27811.4384 28480.18884 3189781.16025153 2841009.57246404 3179793.36095475 3005172.96655644 98142.9864964392 98166.4890262318 99105.0736791669 91562.7484479115 25832.4847960934 26643.0367976901 25107.756813872 26433.4811203179 FA(18:1) 36959.4347435468 34204.6760315455 99484.8281999852 24269.0005643543 27818.2537370502 97208.8353499243 30574.1930565296 62778.7225039536 23610.3050688402 94668.9375703319 51295.9873087649 67675.8464371133 85533.6734880559 19683.8564336689 30253.838439434 26491.8337074595 55371.9489711623 37569.2716589207 22318.8993529957 60064.7116448659 36784.100446333 29432.3997755393 22132.3059272558 63819.8715800742 28705.467452071 71963.5145294681 25766.3633029968 82645.8696994587 26694.1329258417 79995.5828214821 39036.8716761702 40309.3051312344 37992.1208069596 27239.3603032996 66978.9316732148 28068.2101151762 33408.8309691118 24786.2803030711 37908.2835718543 30172.894720736 25864.5646712212 25646.4243608718 17523.2853882512 42647.1804046284 96287.9019505699 72569.0204906329 70976.7280132263 28100.0932585259 27188.6468059733 18834.2307567482 47141.4047204937 49313.0868884269 48849.3999365158 49896.8134902186 47949.1032373207 51728.0161177741 48169.3844342981 49609.703248895 37593.0525 nan nan 20948.79713 nan nan nan 4589.120115 51292.0522030918 42058.9930689448 49875.6882306894 53925.5078784519 21476.5263764034 18164.6059703488 17852.6110234156 23413.8171116708 26510.4769863997 26222.4883858081 27704.3238732657 26115.5308798613 Car(8:1) 9889.02204976223 12449.7678056418 8851.34739294228 4553.49260140894 19208.8560348408 12201.9737008406 18629.820389298 12944.29127394 12936.3951944083 15121.3743354157 33920.0376367306 20515.3130184709 11852.1632463519 12785.7279443862 13145.0778667035 11760.7659537372 11770.4687505026 9488.92764947062 7332.67040169468 12776.9019236575 21171.6766619329 19769.739189761 61810.3153802733 26187.0251060268 22568.2175044345 32732.857137343 21130.5936703165 13374.8476167961 23580.3074181903 16069.9812577588 14059.9976128829 14513.0129188834 13861.4767054955 19423.3386907388 19617.416642025 14705.0687477958 12195.2854818124 16531.0947992386 16803.5838814261 15982.6718164698 10534.1640900823 8593.62641025761 12552.6786732688 14312.5286584386 8201.30229238045 12001.5216359611 10679.7575055965 15635.1511935024 14507.8630282957 9190.08054061273 13345.0872301416 14787.0769297856 14801.8241619769 11758.8878100865 12506.2199469023 16054.8761456108 13042.4904172365 11539.5643986054 nan nan nan nan nan nan nan nan 12104.7114740053 22789.4058202863 10408.0392789168 13226.1805503994 21248.1102087484 22218.2330644725 11041.02072024 22494.2379266553 10573.2358966427 5122.97424391273 4958.19534307204 12610.7257038545 Car(8:0) 115658.401069368 105559.569815572 64979.2080451136 58399.5353977274 75686.7472720674 52609.8899345098 74442.5136353494 103789.202868445 91607.9109917708 95925.0569518289 86269.8601533206 80275.2184955143 78856.9131202316 77351.2604118655 66044.0882010198 70841.7144881862 55763.8454977102 65285.0213082745 96132.996517345 73228.887699881 78896.2935806857 72702.7101449896 112548.93410247 96911.1395121875 75375.0475049002 60643.3516011993 79690.8279979629 64845.1277013151 75993.0768292726 78307.3573865076 107323.995799221 110419.495594898 85091.7403566968 100014.266844573 106073.937702171 124162.600919024 101478.40331863 121774.616458373 95198.3576015354 94086.2436644198 68998.5118853329 75806.7677505975 64833.055086149 83910.4597811825 59322.723701751 76812.985540923 67039.6763298536 75342.4756835316 71056.3773369305 57825.5215320478 91829.1020667905 89194.0632788182 94213.9812792032 91862.457136932 91085.2012966976 91490.9721537846 87518.420586421 89482.1871847883 nan nan nan nan nan nan nan nan 92977.2672243662 101389.76547246 91058.7983991793 97986.9908298725 79792.1228516854 91084.9581018527 91017.9382632736 90791.4749447929 52447.1394978849 49511.3765163118 54150.0686293973 55843.9806955683 edetate 38888894.8858999 34829238.2704694 32699444.8019449 21364556.8215449 35601310.8878556 34757914.0125752 36581756.269071 32932924.0693021 37700226.5626852 36430037.8926063 32567728.4671323 38482334.983028 36654352.5666897 27374537.6544885 41162816.8398898 34492690.9128053 35614078.6694916 34746801.4886029 32048071.359596 30552793.1510991 34867595.1238482 38220501.2435545 39807618.180102 31047300.2270256 36826881.3898538 34425147.9829778 28872314.4895436 28546071.6964059 32329107.1800052 29816731.8894238 34490332.3664713 34320942.124237 41201615.621107 34635096.4752523 37857334.1910017 36707361.5221724 35495846.2715304 38455762.0129078 41357153.4162021 38459209.9941558 33061797.6059858 30042000.5587 25819033.8175534 30782907.2782404 31861851.2029099 26679931.6426498 25561623.9491564 31322849.4062222 34476416.9124942 27577012.8642377 40127205.4614298 36998246.401724 40940035.5773901 40182277.668037 39674609.8416783 38942706.4505361 41622054.9910831 39177920.2804746 nan nan nan nan nan nan nan nan 39428974.8680466 39747448.3361959 39623278.3944621 40015131.8692748 38145518.7809601 38163434.5558631 40391050.3793936 38344036.3943612 48949598.4841598 49193577.2488495 49126093.760759 48200127.5024133 Glu-Phe 103322.880640815 108393.481361977 79340.8670667381 52350.168953416 73359.3750585499 94405.9232256877 72141.9756523827 99496.970886444 85886.2752454115 89395.9671343521 121733.608443809 74628.7966073658 89741.1697912949 112976.352236287 79343.8812800192 89526.8871980615 78031.0383322378 80391.3110324664 88928.4794305879 74469.1985291754 71365.8627102835 66713.5717069035 98705.2109247734 81852.1338896246 83574.8565346163 102378.405673157 81236.5794710707 89800.6600240665 106844.3536567 91010.5668863488 97675.8689406358 96035.752829833 96619.8209038977 92108.9310431777 77612.3991431505 100422.101331476 75381.1834314049 78444.4646800052 81887.6754159452 77177.2314388922 97569.6908919186 91494.9472085914 108544.182889098 98125.3617249358 115769.461760579 100870.06434452 97327.4477339108 91087.8779904161 95784.8996132953 101075.530531771 100687.202146493 102389.040687414 99084.9696504152 94340.069842498 102905.213541886 95721.9875884393 94996.0140342127 97724.2025453595 nan nan nan nan nan nan nan nan 98168.1360696104 104193.65564398 96859.101028176 100859.966221702 128879.650265358 136460.342698227 112670.608344804 115033.212350083 109842.636760121 120123.910557884 101721.715373186 102284.377828022 5'-methylthioadenosine 24481.4772857568 15615.0514098824 12526.0287911598 11611.7935329571 11689.8602273664 13005.9417320521 19366.1087180596 13471.9036709093 16735.2643892442 16933.7066518305 19504.6083423907 17851.2979633444 14657.8490348605 19338.6484941501 18446.173174689 15684.2147039526 14037.9643982969 19295.2755254749 21118.7570343856 19236.4785431033 13087.202131784 17511.6895274856 20014.1764253816 13809.761959876 18070.0225914881 16077.0542309449 22137.7176544046 14128.5794439369 15041.9635127378 19032.6672157111 13289.1404156813 11977.8731859486 13626.8041195791 14980.7741737675 10529.7934415639 14884.7933352386 12968.3808714402 14834.6903509882 13341.2738116609 13469.3961605036 12736.7680854404 12271.48899749 18421.3604086048 14072.4800948966 16017.6828111876 14595.8080696052 18541.4623693475 16680.3075516186 17251.518487113 17732.1813848293 22669.4140467643 20247.9247140541 19865.7837481315 18544.6598826241 20808.5603686915 20537.9921382134 20150.9827780706 21742.4834858892 nan nan nan nan nan nan nan nan 18489.4419864533 18269.7188875096 21099.3205294251 21450.5662161052 7223.60459281441 8117.25081777041 10067.6820539596 9840.59739426463 5799.55231948058 6874.56112896164 8381.09143591481 8261.11687185036 sphingosine (C18) 118042.543643126 31355.9001827341 51193.154254911 212417.29279658 33168.8175441965 21622.2743272001 64132.1393112435 8956.88727783708 68830.884441872 32757.248358793 7270.93694911786 20787.5669941355 19817.0833207786 33775.4813388436 11905.2684244034 26401.157516354 33423.4553956628 112166.97845563 44959.3499353694 25143.3149033489 25711.7436856398 62888.4931798171 6794.4207023881 45145.8889087379 42131.854246125 13301.9421474158 37220.4720248358 17037.8628229151 14699.4671877253 32269.1800060961 21651.8959701936 13005.1797058217 29596.1333198394 20788.84964007 21776.4845050775 77335.5007060454 44832.6775925829 40909.3561891451 28340.6257291103 11360.9420171531 7123.22263223403 22820.258894723 27273.5727594755 36138.1206352901 26323.0358860075 15704.0414127487 40542.9819997433 27658.7492282012 39603.5060785594 24712.9376101719 25576.2684587463 23378.9537611802 26677.4285208633 27782.8944844846 23510.6058315118 21621.959063187 11838.0657790075 27837.0508340129 nan nan nan nan nan nan nan nan 26918.5757551718 25051.7154002268 17562.7510738689 22919.1914103198 26523.5014046531 21684.983527937 15179.450268008 17647.1011363527 49137.6282641702 42168.5175210701 27660.4825538794 26289.5841125954 sphinganine (C18) 389558.898110456 89929.7534376181 150989.230081514 559523.961988452 112030.138237961 65710.546291281 264127.02863036 35496.1830950865 182374.85035089 163985.559776995 89874.5585511255 68231.0830915807 142496.827360714 101366.796793511 42384.1637955397 72384.1428411763 92959.0102892035 453974.617656844 168029.122025697 116764.87751709 95933.184148514 211539.375818422 82797.2380515601 168870.063870622 148621.658660167 66030.0129557667 231306.801152941 77159.5240528742 46579.8430045506 151637.201578914 74887.9413812772 63326.2984155899 68527.8099249858 69447.0224275208 69207.4693189733 222545.861010758 163122.939910659 147253.243603861 68672.8853012745 38870.3969700342 54268.7402991197 74750.2784745733 147853.473331425 107465.709610264 73524.9304302605 81166.5707776255 188794.805838739 110901.049900106 152273.160874783 94174.8828141346 102796.523109108 94097.1107244163 87127.9645186917 82653.4049591169 104053.348715294 97566.3649079049 94385.494881098 115526.746395287 nan nan nan nan nan nan nan nan 91639.4442034639 89847.6764420002 93237.6256967749 113241.609895903 95357.6207200335 85981.3474700128 115449.386118976 128417.025222 109024.479575675 108048.738801504 131203.450139889 130119.830896497 benzylbutylphthalate 1237575.29777725 1235280.0231111 1187227.83603338 1570560.9267703 2016864.48952886 1322303.7190318 1218134.55222472 1267745.27129296 1254978.81676539 1529671.07236563 1539569.62560331 1470879.13440835 1430010.19635916 1356165.95029207 1499239.75747127 1331857.70067997 1934894.24939093 1306818.78422287 1350419.6071231 1447082.83071545 1731563.23262245 1565889.73997301 1917971.22051414 1309499.69797847 1468843.76702457 1679081.64592904 1461158.39688893 1570017.69762099 1501769.97401535 1804541.44403168 1308789.47481844 1203253.44925897 1314517.32535646 1511335.84272838 1715926.91621403 1266323.49429853 1167225.93061922 1356753.69374575 1288638.47257387 1512487.52047739 1543272.07507138 1239916.52015065 1385956.22717138 1401177.85184152 1496125.7971644 942249.230696459 1511807.59644599 1575560.78770593 1488990.52054281 3291929.8476787 1320114.1422842 1178163.3252324 1235602.36443238 1190467.44553391 1243856.45660652 1275223.92902723 1314601.00928828 1154666.51606068 1220284.026 1161378.809 1204932.902 1210634.447 873732.3956 889333.0176 907710.1672 896273.1872 1123050.86495801 1180489.33178519 1169909.56921714 1247967.39221171 799742.161053217 799298.511730626 940508.348256491 993561.109849608 746387.887228881 817812.442733447 937044.134306857 997322.911542723 Car(10:1) 97776.3453573568 98339.1284437659 76877.0210803966 55557.0706356808 81303.5972035798 65095.5694369984 91105.7897590209 101871.660017357 90746.3531908826 95092.0476782785 114132.453681154 88267.8024977012 81334.1295589861 71416.4038908386 75381.6014139151 75209.4436397002 62331.1072317787 59709.4068127972 100174.180366165 83700.5823540208 98771.2611943817 91420.7604243706 127079.484984508 102025.475449255 88518.1034196042 84004.9817307425 84830.6329605715 58638.1564641927 89808.2237846386 61563.611784505 97364.7401280544 118025.141859635 99458.487326636 105210.42884379 134544.608983762 128404.436094421 92845.9841852975 119230.310365224 89111.2936719273 105420.878334 78532.0182413393 88745.6423194538 90629.6304746622 112532.171974183 74963.3698866283 56349.1418698451 88006.9038670529 100353.00550457 91141.4376299245 73049.3418897615 32850.6688448985 33342.6752876446 35493.5422303463 33399.4813582095 35350.6873888697 37130.9994905704 34826.9572307816 34354.2732481619 nan nan nan nan nan nan nan nan 34879.7963486959 32987.1731977987 33779.2794202212 34102.29690242 137536.107349307 136543.384700671 141374.590661869 142448.65592622 66060.0369085202 67699.8769696392 69318.2096078488 70858.5870188602 Car(10:0) 125498.649754017 108864.991786709 74724.4618923497 68795.5980747197 84572.9189079283 56076.2150036934 94930.2377290107 109413.46481199 113245.013099875 108800.988072071 111991.981910021 98521.9942567386 104198.043361453 109868.70022022 66719.3813033541 90483.8163213574 68427.0970833691 78360.8535422134 129873.877305439 88015.9808387703 81239.9862929745 79195.7473628599 121495.554722908 101103.667190196 88406.9443201996 71684.0216688961 94280.3196165404 82251.3574180963 84866.6152284299 96982.7420539468 126765.86709817 127391.171760462 90853.5205974422 106742.588151739 133087.175362242 141895.36988905 111838.41618556 142501.574815357 117214.419263769 104767.576955993 79074.974660285 98762.1049685621 89982.2862187357 117708.312374555 75771.0467801528 93372.1690348319 90831.6642954692 96757.3353438947 89303.6937074815 80963.511863315 105067.782253281 114132.014943529 110331.467318857 101685.669529274 111142.27156931 105286.665149641 103941.324497475 97498.7693803575 nan nan nan nan nan nan nan nan 110346.535510332 112026.211650989 105472.200607496 103560.706856495 91163.9895387138 92695.6830190357 87514.176936185 85746.228155242 53196.3678331345 55371.2024224998 49958.4001119553 50644.4597798492 MG(16:0) 507130.052834535 292707.350077366 395315.912514808 580191.436702444 399394.283484739 407575.502235417 372864.932124901 294124.807795165 235317.060698289 324584.387736519 206193.750881583 263807.930367645 390580.123272261 234848.978441868 270744.381885429 181162.063353099 570119.546191588 255334.244692712 186355.096040323 275244.537489199 479416.000575446 301558.405590963 179234.018634551 369161.16361042 316439.428087001 285740.143001869 237559.09825655 674382.565581795 192615.534906558 277464.588149272 407055.174363315 499676.327379701 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158292.957339701 151545.171910827 195171.464396351 125715.376027539 304151.732445408 238290.642082051 263566.602291035 259092.66816481 456724.39546096 360148.192188283 348582.516106765 441347.300419974 305247.88286297 293483.072962996 236488.010800112 261399.770758849 459927.635574425 326089.385782324 185414.04373196 188684.315323831 236226.997526615 233451.623350332 256662.328658742 277386.430133992 352047.708724854 231720.99937694 303829.191265444 281256.533185663 234419.458424672 245488.173044373 215807.444464439 248224.928096224 268079.377149768 332413.779530976 209744.466590041 385594.559794028 248621.520064304 253668.524803838 297161.400353352 411963.291616328 433065.59573448 524759.194239115 342037.285006791 336152.394737945 402848.768408168 566053.29679416 450554.601453876 445979.267043095 251017.182858217 253953.6611517 263339.878918551 257761.221831945 272234.395866736 262096.302455509 274170.795141551 256489.322978053 nan nan nan nan nan nan nan nan 277557.930192543 255416.262555777 262844.911580355 266820.607066704 205418.059512245 214435.777595123 208683.207921136 210073.544766776 133208.873784823 141100.781789321 138672.047742964 150338.684382478 MG(18:1)_a_b 177906.433871939 87353.8102028952 81592.7719564058 145769.17231889 169140.458951914 200219.006475934 321266.088825575 212979.49150566 226815.882653037 219308.340674869 379224.016173087 377933.834483388 236663.979732051 281283.799531424 263542.836065276 221494.849326339 123474.621513613 249716.353662863 167155.731613013 82517.1627672874 228092.274337215 154842.162759086 141218.680989059 116187.506106451 81993.0443915464 84838.1967227978 100987.29260717 100380.206456532 81782.2600740699 175702.75729363 138928.800305241 70740.6717210549 117494.648176939 136523.056449627 155688.489704953 103396.938944744 105179.759403431 111014.713878769 144190.46093572 108594.047285185 120620.922778491 123679.820410883 231198.391804062 113590.377396163 181855.225356047 153681.549641447 114700.699989655 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175702.75729363 138928.800305241 70740.6717210549 117494.648176939 136523.056449627 155688.489704953 103396.938944744 105179.759403431 111014.713878769 144190.46093572 108594.047285185 120620.922778491 123679.820410883 231198.391804062 113590.377396163 181855.225356047 153681.549641447 114700.699989655 136704.298849526 168156.163773896 173424.867073619 261846.424492241 263156.922695672 267116.298589973 268537.770078971 267060.752610789 242770.805301841 274471.793441289 241594.047879887 49608.11573 44927.90251 43408.68963 43912.77816 55521.85957 58017.09646 53858.83808 53275.10972 273642.309793932 278499.080512352 235139.361935759 254851.679107459 251064.456643943 267780.8857471 263853.308242374 289890.014332565 219581.682839446 254264.421158937 224100.806883147 260684.757047117 cortisol 72618.5786821494 55352.3461801221 28673.3076430705 32323.9626969272 37412.7503610235 48115.8237651647 73650.5349088978 120153.008616156 60961.910786324 252691.898655712 12705.4100486389 12575.5594500317 18389.6241315772 8984.85080565541 6516.79569036906 8355.14525481616 15347.2135868641 13171.8203977068 12397.2773555678 12285.121165681 93817.6963971617 72173.6174222943 46479.5287803286 152683.458272026 137072.85822987 17543.7314398817 12234.8373493819 19255.8043170977 9820.25519589103 15181.5146728513 185196.268699139 126998.731863935 88901.4885808923 93151.053084702 130015.270649241 102433.320650773 107447.313763297 58403.2928947316 211273.55765756 163695.4827118 12762.2087700081 13960.8215988486 14914.7157815492 25039.4262343251 21087.7362605026 29448.4534358949 14393.1588008068 18097.9477749656 20114.506288715 13097.4790949247 131745.800692948 159105.540398962 148595.431610379 147428.556012138 151732.887013267 145382.750617489 143235.634162206 149811.984290024 nan nan nan nan nan nan nan nan 137845.179157229 136262.243481512 146058.798399706 146088.940303214 30892.4899023716 31444.5419314311 35431.9389658804 33446.2526184163 28322.4583502782 29221.3891673312 29768.95477952 28743.6414847284 Car(14:2) 145247.854912518 153615.880361663 97249.3188392015 77879.3719924066 123138.368779503 75263.9474878925 172580.466476284 125667.840817434 143306.711462825 136926.641036102 327766.53610972 233098.855883011 196619.492501057 284332.807364593 206926.609070455 179928.287358552 168562.180677598 161698.418010978 333719.135040093 219635.079616951 122374.438976774 131527.526338637 132278.131267585 133655.154182652 149173.543035293 213561.6991828 243858.700183164 163445.64347542 238298.457627492 165412.861036051 136905.012824448 147043.855076111 146848.478387756 145982.029977548 159838.504485769 187600.936887538 132040.627975094 210437.409412468 153129.9255331 149206.692310722 276412.609772685 318855.046878542 322061.940776188 479681.494613689 264135.352227453 235332.70285024 307386.338400971 495366.146086379 375399.645446293 371399.274220245 132990.064684896 128585.513345457 139210.879864368 144219.302014038 135636.036017617 133179.690394217 137454.215249017 133076.336183642 nan nan nan nan nan nan nan nan 130838.181082768 137140.241117371 125813.359416575 133135.298433335 188397.724485031 190960.555639784 195573.263869995 194624.839167689 95762.6962168875 102813.654823872 96888.0912715283 107796.341857892 cholesterol 1451117.59151408 1668431.3877082 1222099.06393388 1294556.20909366 1495449.58816895 1552205.50671271 1126888.64883627 1467888.76141141 1528649.34630395 1607565.57507325 1438082.29208633 1642039.33031191 1354361.11095148 1531910.01445648 1485402.99877673 1366850.2767761 1653885.56743597 1353296.12821753 1417185.80313856 1313122.54359529 1730444.06863997 1122986.23463244 1499280.41210075 1319732.15096287 1227402.57821376 1781729.6872918 1317615.31567893 2169619.86827803 1642480.39671286 2035018.61057787 1946323.49327633 1794463.12916749 1547688.02031942 1509512.09453226 1190693.12413063 1568781.98168638 1998377.76395776 1614085.13789446 1704792.83689135 1610742.33349614 1575507.32094705 2060926.83759251 1375005.82971465 1597603.57368996 1773729.92699506 2055062.74958413 1446129.79184896 1641897.85449537 1609972.98255705 1626675.00349437 4554364.67227376 5247809.75120943 5263512.33619689 5251957.25162097 5145988.9825365 5245879.6997444 4792181.27853613 4989007.76508973 nan nan nan nan nan nan nan nan 5266806.87823527 5189669.07340075 5085167.81314838 4888068.09661924 1304312.26005843 1350824.21965559 1138823.86389458 1182062.80215058 1175159.63109838 1161734.91270342 1039881.04788017 1153536.62619631 Car(14:1) 596660.588159382 544384.218643641 302661.124530911 267218.674933045 338835.204014014 193944.855291052 418897.245678202 479059.053589849 482732.575903179 482563.803486611 1141382.19880481 738722.526131085 821988.533162079 1321057.69898668 569909.829939832 584913.261701945 514233.399570798 608816.37869388 1451995.23583039 700264.193098523 337048.38050588 353070.752316082 424612.976440088 441397.038024155 468343.514926267 871126.57056195 953854.973288769 621776.986583857 814410.452732318 584683.950160707 511441.503476451 532852.455110426 471025.91493421 460619.786129937 578150.575691091 651170.889603665 466831.506355184 767449.304600708 530267.494536472 510917.43691502 1021287.51087725 1233508.69386522 1506509.26527051 1940209.53298827 1228308.78245961 1106649.05578326 1093686.50790374 2116425.47121884 1513395.66771151 1616236.1875169 696471.342819455 671219.113123603 683142.066944035 625689.5995263 636797.859094485 642844.952529211 613337.188379784 612707.210324606 nan nan nan nan nan nan nan nan 674293.544397795 625029.063531301 631905.603921019 621736.794501406 565828.013952524 569559.681435008 592747.247357411 576759.355197203 279904.683770278 290865.963419269 299779.646140338 305500.454016132 Car(14:0) 932872.663342589 712279.915754613 443163.263081032 466757.613805494 445829.591900985 300767.109705499 649387.54360751 723624.795727759 686707.581626424 607261.404655695 1896938.46142649 1182128.69336715 1176627.82225157 1781282.94976562 982153.550461491 708835.987258037 613319.054252164 716736.237082282 1519860.21282448 967601.559411434 445595.88375204 470273.357522645 694225.647004043 584883.407424161 646127.965177574 1042744.96888166 1158900.14738666 689503.974262286 909821.164862079 828944.757998163 744043.738998839 688454.251890656 566187.743814824 612391.889967002 760823.904289807 923932.748925242 542428.875527784 994811.072057185 690566.172787425 729345.628281148 1162531.22610631 1366419.00674925 1688902.45661518 1961054.63914751 1386753.1792489 1460581.17669881 1314234.51588034 2317217.16014973 1920932.99541299 1678290.73454728 997354.969871953 1000047.57203851 983503.550485523 965174.278213714 941189.821148641 921914.529529665 933209.525733612 923975.439082905 1941.596111 3437.551871 4105.401033 2204.363877 6414.860116 3181.188303 3412.964198 4544.94751 1004939.94727362 986059.56220006 935354.241978133 934725.04924817 680342.574057095 674741.275436436 626798.74980944 645211.356332678 381038.287926217 381133.042569948 363944.530879763 360472.646896391 sphingosine-1P (C18) 4152777.7709818 2099281.42420819 1088089.87062873 2751088.60247073 1043199.86843318 704923.758485399 1517476.39366985 1790774.865484 2065165.78640992 2119726.77118495 684803.542970999 1206492.47661212 1282505.50341586 1951497.5776203 1211706.95899917 1271394.99746346 1532018.71725801 2005905.09361145 2320500.10379043 1611620.90550567 1131182.46175034 1535546.115099 714443.30035463 1879127.08764131 2319545.04129655 1284700.82535615 1725989.06935107 2024759.73852791 1458804.07461494 2313755.91365057 2087274.86609269 1770416.79147153 1824877.77150944 1626488.51410368 1090218.42312012 2221497.78080917 2458399.86775481 2299701.59755909 1792595.41165949 1774991.33761026 1700573.7654253 1780579.80779784 1655751.66024124 1766388.59909732 1901525.91081692 2133458.02787657 1853961.06059376 1680999.56381678 2005231.39574692 1715826.306804 3187166.8799074 3527336.4313835 3221138.59412012 2926308.62164358 3294937.58156001 3542099.48700949 2614581.41636927 2911363.23569305 68051.33254 49356.25646 58947.31225 49612.88666 171351.0592 103423.7808 84936.00381 54795.59898 3418823.01009596 3089183.45731144 3449167.19629561 2969218.63534186 1230323.04080324 1215751.06200144 1019532.58108334 950224.576021564 1471267.20026044 1350580.95436144 1204708.5479952 1171591.1709594 25-hydroxy-cholesterol 55970.4964825374 45926.6779903643 44230.3494723369 43623.3966163614 45360.8019772534 62534.2753427981 75603.2684749502 57628.8055044895 60544.3108720264 44884.6587727757 124215.553645931 74810.8902801628 42177.0558617957 61386.2647578876 68327.346953365 55383.8544985927 51249.0726015745 41640.9974594126 100733.374654937 64275.4227971886 27428.637414727 56022.0325071386 44648.7190875214 52492.3906023865 45764.9224952961 68348.2194920223 64724.6799151944 46166.4393643611 67798.5505552337 49507.732650514 54914.3400981586 49268.1828642642 64108.4317239367 60628.3424935406 58327.0199923122 57323.378034921 49827.4202543452 67033.6635977963 51411.1428236673 48897.9951099038 76369.1587628667 60437.3428471944 66282.575419021 62985.8458736776 74143.6692014394 57213.7164368042 72500.9914711873 79617.7044841795 67891.8376975628 71083.1823001103 158804.794862674 182575.696566357 140458.399453269 142091.342381381 160276.594042051 144777.055379855 147321.377239082 108604.625832964 15439.25169 19904.0153 18170.47106 12631.22473 13878.28578 21511.89819 13015.43402 19460.7299 172995.87363528 160522.944762117 153809.801884021 111345.058572719 61925.0190685817 66726.4857027089 61026.6934632131 77661.4788478817 60006.5262776461 70250.4358951986 44157.1815463859 54800.392156098 bis(2-ethylhexyl)phthalate 399488.179434469 265253.250334313 48197.5354084075 233832.056259378 202996.516611155 91266.3991446991 250313.336365595 161506.222403781 790692.668763978 140243.342890153 77980.8980621985 72840.2082034443 48120.0531760213 836039.901782694 310521.596882901 436033.462243447 93088.7759145389 350693.204226097 216802.222244032 95903.1042128258 243028.716295259 365149.525752804 473128.454458093 98176.6384535854 299955.883607738 110157.318509469 243652.38474135 80506.949980288 260421.770898521 130938.084897049 383185.840070422 266894.918643788 465514.542428718 603840.238062446 134997.314223764 294189.770293474 422810.734431245 312499.19168814 360491.671908911 399189.642711036 357779.360562419 233127.923931596 421313.060632781 122262.047882632 106481.574446676 107013.712409313 84132.6055307583 308421.949013357 377203.3888245 395066.424054985 491892.478731206 679943.570485052 560475.679679385 480119.342888838 632114.29788194 604463.728889814 564565.025590503 429685.315780421 89225.9212 93417.44157 87561.62963 71019.82477 92464.88126 84722.18002 84172.65037 98750.51415 773498.399405529 565746.63275553 623917.877423853 579197.653163854 2158855.34359463 1738340.17684884 1413235.01104014 1464246.74914256 1681495.25040684 1501045.35670492 1394326.80696237 1291937.66269295 deoxycholate 33022.9542335309 23717.0938171118 64710.6900263233 16599.4352725027 24970.8626003882 98378.3450819638 161100.759221489 26325.2818041628 19790.0958171734 24305.0222352745 498097.080997991 29731.1743577011 38545.176014979 868874.450114503 39300.115174629 64817.04688898 37838.6149816479 313236.796393841 119445.348799077 405635.017803474 40944.6411047252 54526.8794556968 48352.7975410888 21666.2815263785 26154.0337448624 2075928.3716699 122259.735068389 73405.215746085 389724.638355245 44053.4989949128 30047.2814804071 42522.9272015997 18829.313275901 217843.794314792 20657.8790591013 26475.3780786547 45272.6110592815 2110195.5241665 95558.6819581365 138497.539780002 234164.784446215 29365.2122626803 1793106.86537116 2834715.29710798 1621018.30063131 19249.9913646375 1687519.48069154 5668687.26784591 66399.6504374267 3066029.95477085 821453.863286094 784360.625404448 787481.003720725 813432.953124774 873831.304050098 850326.626713783 848243.92788339 711951.559201482 nan nan nan nan nan nan nan nan 776857.13815409 821220.000987691 809339.473043704 790058.027103617 317404.30895272 325139.092146493 346201.8801349 368478.765317665 455158.766818812 497427.167420967 518524.392150194 589241.155949321 Car(16:3) 104194.121366438 88290.5460277225 53377.0307165142 44421.7206257951 59843.0882303803 37442.6081560532 72044.2560228292 92487.4322494153 87846.840013039 87810.2701898412 261955.911385215 139648.727799866 136282.411641523 220826.861268114 118183.353690054 108211.809845829 96938.6444945892 110210.647842098 317428.940676227 138124.488850502 63682.7908220883 71739.3206961634 75060.0626941722 82040.083710087 82163.9540759171 204382.966564587 219356.475282081 119744.126321432 148987.675989867 93034.4663856437 92987.5364320392 89392.7148900927 99033.0991684803 98325.9532836107 106175.027221004 120268.190756686 83283.7176995564 141741.96366785 99909.0966250279 89742.5575214113 242398.355879502 230954.10504391 361624.49571564 486175.176095154 291440.369803406 214424.308252274 275367.416681695 534495.663163164 367384.035241582 366621.209770383 116031.263665454 116595.713773195 118109.071233674 114696.118800663 128552.847899715 120369.475414502 120014.334340244 117596.801251839 nan nan nan nan nan nan nan nan 112288.497955196 115183.807378588 117833.610810964 119167.171048268 121064.663201083 123100.480913003 132083.840186922 131435.76282194 61476.2056964011 62608.1000712952 65360.1703816767 65160.689370538 Car(16:2) 108384.731602813 106908.097318236 50995.0204888319 52065.8348154041 48321.4390465596 29884.4318100274 55349.3215475332 76276.1915455279 58706.3805486039 61290.0209721929 144170.771482238 74866.1406781844 124400.323448738 138950.641592004 73061.4705055423 66083.4961934313 58877.6866475552 71100.8095578015 188373.41955824 74029.5082100957 55587.2223089283 67127.3654522616 69243.1425250327 63341.5850507774 68214.6177008493 141474.446768188 123357.541060713 77351.3811328389 97623.389465141 43853.2242538087 84464.4969371554 81331.0769835372 70977.3293163319 64792.1455075386 61507.1761992556 128257.674455646 82090.4376666796 110218.651995261 87347.5660370269 81145.628709073 169150.304518946 163541.249442475 220065.508278168 262350.109713018 171814.310933305 133631.119551726 137168.760517408 351090.101245748 277356.766955307 185022.108999609 100744.804934667 96548.4788450784 103225.672533895 98353.2043748967 106388.943226875 94541.3304917824 95732.8196075907 95958.8047132941 nan nan nan nan nan nan nan nan 94400.2901139806 95342.8392511878 105187.001902211 105985.776198742 76184.780403701 69969.1805480476 83414.0711039454 84978.0917071528 36814.4153577877 31520.5980400054 35129.8601935343 36171.6844626123 Car(16:1) 581288.287439719 439164.869688713 261292.19516675 221553.737377727 276985.857512101 172890.219527234 453040.685530977 473129.692921527 451639.055388881 405628.841626736 1822394.22010009 1146211.42122238 1100940.81834599 1934249.75968814 775945.739768761 547335.331915652 447055.583586494 647754.014079644 1878097.9085956 736070.127519344 314004.866681516 269901.110447223 509331.401247122 410259.178422922 478928.454137488 944384.092184125 1146428.7132708 565640.62555957 764474.784694122 663370.119853548 506091.491206225 444532.67320356 426122.813027391 434223.799762744 527578.981697354 648534.91276831 411310.461073643 703903.046139417 447881.705921157 432007.463226307 1112196.85475315 1241074.92651304 1808347.16790958 2087628.42254079 1285296.70695698 1345653.49039548 1172360.52183156 2449802.22174962 1776904.78696474 1823317.66396415 753146.356622613 724902.907395085 760137.625494313 747152.139374541 760574.198076195 725720.436940089 733972.325925129 700098.914292708 nan nan nan nan nan nan nan nan 740874.10428 748183.386461049 753733.79366302 718095.137921828 599121.434555474 592058.165826745 643173.500506628 622085.080131328 230327.743434881 226470.488989534 236423.444318701 234218.486850837 Car(16:0) 7460815.85069427 6037001.05670721 3509868.92053516 3268056.4725065 3242141.75300261 2510888.46273405 5593077.43008305 6245126.41612997 5194492.14506564 5103651.16451469 8616036.21604215 6546603.61176483 6978249.63761866 10579361.4749358 6098379.41845092 4364067.20917337 3955628.21379582 4256325.52913375 9472786.73205965 5914255.55123891 4147929.74593269 4129165.56783905 5674197.67789189 5470300.04005542 5864396.27780854 7348630.01811042 7340513.13992419 4961784.17088463 6084058.42613389 5398465.26068697 6238156.35353655 6325064.87318889 5135302.39209563 5476780.38170236 5894773.21418992 7413198.49633344 4981914.72718589 8405188.41968128 5321470.62904116 6352867.57163001 7427462.69993568 7665042.64617295 10833589.3987874 9781095.39926453 8980007.91379248 9424407.22204054 8262041.67345723 12643867.4112611 10254913.346266 9911368.88169534 6643841.85664753 6699499.76850868 6738665.49742448 6754619.33905515 6684446.38048331 6706985.5212904 6803872.87324433 6764343.8606921 nan nan nan nan nan nan nan nan 6701275.46421565 6720090.92653867 6737062.70609591 6777167.5249842 4015532.83689506 4034287.79838519 4078453.38617449 4168902.02067301 3074317.1933966 3054002.96793419 3116409.35911477 3122156.67489919 Car(18:2) 1728850.37482282 1814772.66183128 959650.215089919 723311.97502738 911310.668277165 668615.457411703 1290152.31448148 1509824.71046776 1305895.8566104 1256828.58423341 3654854.18758322 2047635.09164727 1926116.84125774 3000297.63201183 1763275.74956731 1189368.13011663 1263610.8689125 1249921.05507416 3183896.27631029 1673580.76793055 1069570.44058315 1073140.89463533 2038869.84403341 1217874.97342736 1462680.25144712 2503500.02013096 2418638.44789859 1577796.52795394 2044269.1365469 1567535.12564355 1623945.84634596 1675084.96280243 1357315.22904963 1365661.96562589 1636170.02731678 2210387.32430234 1500852.35373674 1846465.33796224 1534778.5731342 1467275.48438058 2592258.0284351 2777767.96489705 3401885.08512359 4288526.36024507 2757212.33570896 2731439.72408424 2732010.71576484 4498776.89237035 3688808.32408377 3698587.09942721 1704377.2791864 1812422.4594442 1950389.64637925 1914984.6266107 1897003.48907188 1851418.36518314 1908753.99869854 1899766.1683498 95085.27488 92610.76025 79438.04606 76999.71716 2349.233846 nan nan nan 1848491.61477554 1886906.75453531 1876381.1015578 1882888.18397515 2311035.38991887 2267334.20087138 2545177.07085243 2489381.5139865 1000355.029447 989901.023187433 1116501.9540987 1085896.36229762 Car(18:1) 7912735.46338276 7795178.12806886 4169694.4634135 3081388.15199275 3683242.67279429 2572546.79164148 6157859.97579756 6752847.18005125 5494282.93485004 5501262.89217337 12252507.76493 9753164.03186855 8926598.56836507 14870809.3122359 8805023.27559497 5415916.18391593 5526077.3066013 4960806.74601728 11311633.4711693 7652500.92721088 3787114.29600732 3374924.37135574 7626879.27279275 5237256.05722233 6558257.15972116 7416886.48324438 9212943.93418993 5914685.33192339 8633705.81630095 7439583.40873532 6703429.9172441 7175528.68541383 6014186.71590841 6002697.95929911 7355734.20351565 8543511.80990025 6152556.74169052 7230321.56535717 6292313.03947128 6862979.85842425 10616819.1785125 11538990.30296 12377003.0131232 14630350.7071954 13476205.5825334 12413207.1612298 12552797.4000053 14405176.0092826 14778521.0500535 17109625.6518399 8696177.1951932 8139865.59097266 7977689.91648144 7787875.25165485 7614632.28906861 7255462.72913626 6945555.32373324 6430239.02397432 nan nan nan nan 11134.63742 6844.919979 6289.099719 5953.881078 8071275.0114447 7664472.05475546 7157207.70410515 6512943.95067746 7763201.75429052 7749820.31946077 8105078.0057674 7895798.54163536 4396297.56193743 4325571.64011118 4303571.55453856 4172016.77724271 Car(18:0) 3817547.9403229 3345715.35316483 2019890.94601178 1973047.27047414 1591344.21836306 1477543.08236153 2739988.92832619 2517158.78194671 2494285.60160459 2482682.91389858 5078502.36089963 3858237.68291159 3051355.2755165 5037736.74505778 3948758.94836227 2453877.79511653 2623020.21306396 2712985.33217188 4207337.65708863 3530848.34546106 1923499.13580805 2140831.88906039 3578299.38844512 2396361.98494505 2885537.06207996 4906792.60924872 4108067.06260208 3333793.57345755 3826097.42669997 3487634.45498098 2540217.6862774 3001345.44471675 2866530.45852111 2724852.21320211 3349923.7980521 3753088.35356167 2614008.30988031 3825415.66711871 2613372.50439609 3084013.87579881 4831166.97618034 4850213.2714498 5506008.52288656 5933623.8832336 5324654.71255501 5210480.27758986 5266178.0505284 7450646.36488879 6213122.80327995 5980232.92593827 3488262.82343022 3451026.82344865 3490694.28280621 3306628.89497543 3434034.15946004 3408258.44474577 3519328.95861492 3362064.03907086 nan nan nan nan nan nan nan nan 3427173.8246531 3366758.1620253 3419265.1332414 3448823.97044057 2739832.34971113 2716398.74972346 2918271.07625314 2950965.50394175 2120610.45165426 2070587.92029811 2317994.53621697 2190834.42302103 alpha-tocopherol 643075.65663421 604472.069992997 434743.575940156 524207.179080855 421205.424255866 419030.588367802 446928.282902377 576939.481978519 656900.005841358 667393.898214504 620816.864995907 633411.846450936 620140.070199792 722261.907365264 625644.661148062 519999.881328556 618206.183921793 585645.02107613 735097.752348993 590664.77931174 511837.393332146 370511.361435442 448048.288404526 516447.019593054 520814.508261386 698489.025005129 622244.309399436 855679.303505251 630938.975628381 879119.9487966 740165.714446596 636798.78028675 623644.819813132 531813.0877575 485144.466342142 710697.731260927 639244.332837868 736485.89892132 646990.98170057 599165.878575197 694137.855376065 801598.195406275 628337.98797469 829400.674509768 764054.250158504 1065263.59164373 702106.917497432 754930.070747563 865132.9460729 812110.947258149 1568274.77362529 1834179.41830924 1788669.47705417 1804761.10980498 1681914.218913 1768137.00619873 1668140.36181552 1583196.58687385 8714.379808 8530.47088 9167.189177 7143.321547 26046.39232 13147.84612 7143.102309 6192.899166 1808703.43877331 1738762.23914472 1754724.57517939 1601313.28959664 450121.305446891 452007.203249221 357251.868723476 352378.457029805 393572.054754038 396038.295393141 296837.730976325 316564.731040898 glycochenodeoxycholate 600743.172902643 218658.870587731 1003466.61785749 31439.6891358524 45727.2835169671 111054.888740107 220335.811342969 278296.858524563 119256.885048193 84649.4204002007 321776.10492087 80870.0842982139 204441.09681191 180948.315092674 113416.411023733 96667.5718619423 88667.5499383701 93033.8471017878 231944.33740366 284613.657876641 37606.314612638 54142.1624838206 174811.014147066 79720.134719631 86711.9098181574 257716.265547424 92999.1123222781 189860.041809974 174772.978324553 133777.708130946 77294.2482287139 314298.154731279 99153.9177505793 60019.2849421425 72220.5492047309 145813.121451229 294090.944484156 230878.665247506 97682.8007605864 137762.235563802 76132.2276719744 71829.1539190577 262233.777246902 699513.111293995 715204.998791231 64880.2294423585 70722.8548199315 325573.686605103 184658.827424876 189853.684771388 286754.998717124 272566.803172568 265319.579959247 284747.776689705 292633.587243891 294496.057042359 295987.402734917 259310.488911289 nan nan nan nan nan nan nan nan 273228.34489138 260184.024526627 275153.433377471 270267.362063867 70841.3965958516 55764.490554916 63597.42540806 64594.5036677035 107128.358266196 121544.102920434 112328.437431329 140206.935804823 Car(20:0) 151279.274895425 140563.92841848 67345.3692173897 78863.1200846739 75156.5113692416 60363.3108335733 125511.890172901 110631.541823236 117737.21642284 128784.864733546 238007.906482003 210316.919822899 148699.827386786 259336.211462553 179697.799776028 142304.728018888 155286.784284702 163915.914225591 204940.217491333 169997.804827886 99075.929398693 99951.5482489071 171940.445294916 112893.103440318 133563.806230114 300723.61115154 218074.061661613 209566.160699076 235975.538993283 192827.318508441 127319.40732604 146660.974461427 172315.877372408 146056.303104275 194723.729882395 174473.755450087 146477.534256197 207830.042453345 128219.785202054 145977.659624223 265509.404200641 265296.988525991 245340.656517353 280592.512524411 264360.736896611 276846.131813911 286184.085732841 364688.322289213 300833.537300561 284084.255573441 173539.817197484 186130.659505734 180474.404730206 181985.745662481 186682.880366148 187858.279902824 202335.845983288 184679.865304626 nan nan nan nan nan nan nan nan 176920.076219687 175589.013636237 192319.653948174 177403.594300444 124907.467752797 130477.32953786 140777.23930435 144209.832994938 101938.48692588 99411.5071099073 115062.65610493 110233.936232039 glycocholate 6349487.67585954 1505126.6193048 6034371.51841341 388905.232308739 2326051.79445349 1549648.67692595 7567102.79964274 1343479.70116871 3051956.31660546 373086.543177453 15077253.0821732 10999839.0661932 10650241.9425977 9238245.99904556 2265501.59394008 7608648.60074515 11024328.6152099 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9082931.07064268 10469171.9715493 9327593.53865412 6844972.49491251 11790591.2030655 12405621.7316839 8791673.53938115 10418989.497717 11124963.7037471 10059763.0959554 10743193.125871 8604944.7915394 10288176.1128525 13324976.0034061 8730527.45095134 15717857.800471 13712016.6751807 12553885.3131026 11308483.6711106 13503268.1861176 9190185.01290665 12226598.6769731 9722884.92448358 10051167.9529964 10285462.9262963 10601011.3186921 10753930.7058317 10413238.234997 10456937.0727511 11216372.1287133 9665785.06807592 7925114.14220806 10203581.3326159 11185777.6570631 11613230.9108475 8387491.66638769 8437649.91959446 10038051.6555876 9721647.77930457 9227991.39547398 8194712.37618681 8119241.42772059 8905952.39884032 10328977.4948924 10324742.7480804 10049360.2571209 9968794.08038665 7586701.38965401 10503777.4805295 9444885.417543 9700403.64304238 9615285.82858502 9665024.15622002 9317418.46355208 9541635.32980708 9306216.58027242 9563613.84391529 8787342.12002678 1969.770764 4308.090154 4104.138575 4842.811855 16891.03746 12724.1993 13795.2364 12043.04213 9546816.32310118 9424188.23069279 9426196.54163644 9068581.87174867 11663714.0151695 11570290.8783329 12130143.8328793 12038466.3215645 11821892.0266186 12007421.0274383 12319666.0427843 12381221.7209594 LPE(18:0)_b 115219.048499596 148657.178340618 125400.092863349 128479.398573357 151253.908126273 176768.338487521 138476.884713061 100905.345982237 113886.069710532 82673.3784721893 227026.744412883 188782.048935787 142104.694423059 159421.669425341 180750.077693571 139765.95947138 135574.63043219 116417.054566443 150739.510495652 178579.548963063 121109.745503071 114205.778513037 229942.374782185 114036.281062521 123310.292334042 169531.600403382 159019.369188246 141771.843661471 190610.200348655 147530.326565968 113025.11953976 118874.274010324 121594.164249002 115491.966612444 140161.07507731 136527.853305028 111343.104793826 112335.659613665 96574.4585315018 105458.035346368 162278.909070703 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6445526.09746104 7712414.38175034 8683011.32257823 6988026.75509587 9751110.60611894 10692437.051458 7367581.88767411 7330775.16449387 7981356.83932183 7005573.35353847 7338539.52745044 8297624.68777449 8297332.1366203 10965885.7063908 6334197.1454319 6995889.31852607 7455217.83867613 6182837.34320258 8368540.17883404 6456294.96155453 8156923.77528715 6320144.3279136 5634014.49917323 8588946.99393027 8307950.45192103 11490915.7045572 13863169.0901532 9050247.59839295 9217967.47326469 8837994.73106392 10794819.144906 9021133.67700632 8520015.14590787 29792.15768 27374.83195 13000.86873 17595.55104 59568.57249 32540.77004 15250.77271 14817.85461 9297449.9839939 9026170.40371063 9254184.3392016 8371481.68207996 7870077.02757287 6085360.93434406 5515218.96683529 5375332.22782008 9123723.41403913 6071389.03703681 5949328.23109001 5393204.16105383 biliverdin 163735.226448677 191427.147469705 95841.1932193368 96751.2669323939 102718.066810859 92179.8311983508 83170.6222246447 194655.582183929 120710.223732984 135623.467103307 172234.963351896 118377.434719595 198954.12019202 236648.558472738 98110.9862152545 153184.118076549 149565.006858488 100868.728802561 215995.972747187 130546.768442043 62547.4392985011 84418.4288874455 74537.2485985975 91536.7171530468 113603.890004952 260119.140842077 118935.661214905 230953.805709168 183053.526148885 166941.951334225 124030.723463873 124776.201043672 106143.24670834 125140.942880934 95270.5847490001 181746.669561018 145091.501677831 204280.177762104 167192.979302327 156554.454570522 154663.945792336 185338.53402451 180546.893755607 184854.889661326 362173.832423748 251304.887094124 195506.808686866 170814.715600059 200649.035825883 164441.908582906 365793.27794262 359657.906383681 352204.850710734 346370.064733345 319872.730322456 312705.131792642 305424.301744126 297925.790815183 nan nan nan nan nan nan nan nan 364101.919459518 350689.553387042 298588.344182284 305972.16293097 99742.8575094675 92005.2093796662 70498.116139942 74426.7797002186 146972.619425581 151504.343596281 121234.652639569 126445.168927572 bilirubin 119483.33425324 121426.505681288 93195.980093213 76729.0533172138 102148.174192505 127348.604126176 123511.267282697 156457.513465883 130181.338049242 115361.70771171 199124.078805065 116110.059950114 172870.53717937 213525.67431369 117779.749753224 166380.357274989 132032.354284754 119653.117073857 134313.623591397 110590.162489264 67009.1076694182 79445.6725420158 87748.0684393969 118944.113977485 96440.5507439913 171929.459081246 124736.814638003 205987.783582299 133611.313595725 148990.697662766 151514.051129302 124651.152867433 129542.961166737 92635.3250158354 157702.734463295 186568.98128929 94610.6540556691 120971.276773509 118576.260323771 131420.878247429 181411.333248207 189080.511451596 182976.835259246 258892.79676928 237217.788880015 228998.830510372 151737.952398822 177976.930423904 181352.346208893 146951.474277958 340967.7819818 323680.396433528 363079.660578787 381220.117239606 385872.067206826 412777.196565219 389336.995048764 353639.172596156 nan nan nan nan nan nan nan nan 369040.97593968 369139.546599545 390825.139298948 366758.935445971 103482.822204888 97637.8102219951 96774.0125896927 93837.6682907993 78628.6907248686 80082.6304924666 62783.9014875753 63695.0772118277 DG(34:2) 4320827.82704569 2208756.3243606 2011815.70557133 3555495.17814345 5037146.47486875 6214607.66637782 3146360.79967034 7069232.50239828 7285868.28950901 4794922.27861018 961281.122827443 935066.383259536 986049.920835988 1321104.20514342 1213194.1883773 1042105.26160563 1183230.54510159 1508541.38009307 990852.955508488 823726.028323994 7050327.37755698 4560951.25290573 2643187.18852827 4678539.87642374 3692965.88324189 643422.149939936 698484.133360036 1629447.37927371 490509.980168395 1524773.51585813 6283130.50232169 3052326.65840699 2377969.27527837 2926627.57311226 4066534.93117149 1853953.98208505 2475050.36478604 2549303.01347572 6058613.91274942 3167262.48727324 885566.047002966 868018.227347689 504789.410376725 816977.038510337 836425.997828407 1022021.72097973 570838.40784776 405545.567336666 791148.618278804 834921.168257859 12313219.0960231 15294694.1740478 14621397.1308052 13427322.2390417 7610770.45427669 12539932.5046605 13427268.2385652 14173292.2812921 31711.51332 29000.04639 20695.2327 22127.70686 28377.6842 25856.10049 20762.68343 34038.31267 18030108.826046 12115813.8671179 14906716.0620443 13332915.5931345 2805189.79172522 3365419.10629232 2858430.06483321 2927302.49489376 3922797.2672437 3865815.48235361 3563955.32686922 3574620.51215894 DG(34:1) 1492189.72883471 1183086.00770772 1048178.82926085 1724124.87854473 2379910.68420835 4004226.82957898 2953447.43918359 4262155.33067476 3148803.1048127 2618121.90532607 1569917.72768489 1009578.37202194 1443146.54381042 1987181.86030489 1055548.10689581 1785063.06209943 1284114.89156321 1191862.5395003 1294921.64784119 840519.822951901 4851576.52597423 2754219.32980138 2281420.6856226 2972275.54880737 2667932.57841005 684308.777034805 967847.41556852 1063075.55613465 516512.733764946 877953.977142319 2187682.11943411 1008374.48623614 2918885.5991739 1667130.79369385 4139361.80045781 1253903.64175681 960853.415304195 1776005.83776806 3156584.50959598 2130425.90548724 1084193.78497875 703564.753889852 657069.960540282 942477.69902084 828641.306212863 748607.057219668 844387.693368624 539399.719479608 807232.934247477 638913.320924837 2433620.65453972 3433529.34884891 3135701.31872568 3217042.09026682 2425660.57274472 2339494.8223917 2548015.82371057 3840455.24090157 29027.35287 32902.11715 27597.45724 27871.05355 4050.974043 31941.24955 34239.53174 37722.7944 2363794.91949121 3577356.97389264 2683545.6688739 3458113.2826594 2261856.73385201 2975862.63694293 3004634.91018628 3251220.21044835 3318413.56959927 3502517.16074159 3494359.40666267 3752963.69936048 DG(36:3) 11829750.222539 9829759.55095379 9096265.46011589 8754276.6466902 17366053.4874001 17912469.7575886 13895711.1936191 24031248.9561293 23945188.6581484 17022374.7960526 6115991.80847551 4841773.19538334 7255849.38655389 8235933.15621837 7199928.40312616 8077974.13150545 6089555.43890563 8118829.90914827 5153276.77738861 4746553.77717422 29223626.9844718 19768551.9799237 8735620.02575227 21410587.9367226 14510663.6664786 3649638.4739733 5029382.4105522 6451323.83388313 2561189.62212971 5555415.59844043 16788296.8392583 11095149.5170335 10349017.8665377 11832754.5193962 19391532.0878937 9096574.0715332 8785796.80908565 11414905.6895022 19928764.3338942 15647032.1187044 6174843.74431832 4902798.73158078 3144999.58926398 5399163.39232274 4943788.59614804 5195057.55179407 4108510.69626663 3103573.9948591 5816425.81253519 4074343.06810137 10742738.6654971 10423293.1744035 11151866.0207837 10145988.0622012 5782693.20708362 10144223.9044303 10388533.6892521 11458740.0958666 41622.28672 53641.70691 30819.37934 44810.15178 47617.34097 45722.91898 51582.87021 60155.10479 9931489.44688636 10777063.3259436 10258157.4910508 11422805.0612952 12079403.2613986 14994437.4062853 16201434.5239989 15532340.2668765 18139831.9949355 17307397.6937401 18733993.2858212 17599123.7910781 DG(18:1_18:1) 3605134.82403433 4026464.75627605 1756220.80351534 2857759.75918743 4455397.79228681 4900335.29603844 5865081.81729022 12082150.4794708 8632309.31318208 6504194.08495423 6145562.77393317 3113264.89498214 3838379.33817818 4091673.48640288 2738095.58286843 5225330.94153554 3596563.11343708 4229264.73631953 2473584.23468444 3151176.08890229 9252622.08397057 5139112.47728584 6365121.5796894 7157481.158221 6573576.36657081 1630174.136823 3855530.80791749 2940918.43360818 1606930.98265828 2647691.00865278 4108740.9318535 2502257.17836312 6598012.29618306 5676480.81880452 8626709.95188241 3239600.20488857 2493359.47402672 5180458.44346627 6331865.84927167 5137708.67504755 2553950.44584393 1685927.70725525 1450779.79438197 2606886.88718106 1947359.18679519 2538539.55104614 2443530.10282179 1604134.85926645 2918002.71134718 1948478.53228329 6204688.77834501 6051672.92785182 4986637.07039906 6103855.88680339 5594532.79310496 4738703.33473878 4858226.96885403 6662371.32005253 nan nan nan nan nan nan nan nan 4118655.82859833 6495653.2913682 5025859.86675155 5455073.39923632 5303487.31061282 6732886.63065231 7827082.42243407 8123048.36998904 6607681.1729604 5977450.72165332 8036740.55597679 8154368.57879952 SM(d32:1) 3433984.96867088 3640330.80658716 2359909.27032779 2609131.2111272 2481550.92095447 2113963.13126366 2347030.56571153 3289029.92456992 4395665.30828896 3751053.5960822 2513017.14301451 2963443.32410225 3453509.81262553 5837143.26446357 2054167.18169702 3946301.04264758 3031307.7218914 5143528.4737588 4572366.75606674 2946387.2068676 3301506.20994953 3344962.76020518 2544398.57102188 3112291.21966037 3037542.71673506 3554642.91005336 4521294.78733936 4028295.52575317 3962749.59178959 5082049.74752013 4206289.3271525 2965428.68853668 3735541.71708634 3584095.89104627 3502389.7488588 4119205.18496971 3467439.16242552 4559850.13126865 4531688.52543865 3076041.9955773 3568050.58815911 3212964.41010621 2857669.69366856 2867838.34269809 3026323.94951963 5093522.13871194 3527048.61774869 2619421.72096424 3457433.472898 3473818.93295 6855144.24395591 6736663.9329258 6969751.01057639 6867333.72340248 6088909.96094196 6669250.2894399 7028850.83412951 6906915.22283236 nan nan nan nan nan nan nan nan 6628414.79832658 7134569.16409109 7066196.30667036 7547388.94440984 2336002.10964957 2318622.05119513 2139722.10698846 1998453.86187239 2676011.1112437 2365953.65802739 2222546.05981001 2007371.5147438 SM(d34:2) 23874480.028604 26085138.0357457 21239368.2899806 18193103.2507901 22501386.8538979 19874857.5893101 21298531.1819661 23019023.74478 26153829.8700653 25905146.5115941 22330447.8164504 26886484.8481724 21111516.0002893 28401728.8088987 22088206.078284 23876821.0331833 21708546.026289 25751582.2208024 26678322.7604532 23250083.3963941 27571860.3897838 24161299.7758969 21311704.9371558 24360485.5082037 25297658.9992 25781454.37633 26522700.821935 23711154.9375471 27259521.2256626 26761198.3474834 27013427.958206 26390539.8058544 26343065.1757342 25843055.0183751 25398607.1439634 32009327.8431145 27041728.3204753 27501074.4613097 27356610.575608 27786687.1837831 28442526.5378055 29083362.2119996 25583719.3287486 27282741.0294797 26297973.3759522 25720939.5015412 25059611.9710045 26635256.2574467 26997450.7186675 29442779.705079 23583625.325315 23792446.220263 20915217.5248336 22215768.4300353 21544403.6628141 22507707.6889198 22392414.5534758 21106561.7047263 nan nan nan nan nan nan nan nan 23838875.9811624 22115963.4877861 22470595.0667897 21451612.8272575 31664168.850804 32044713.0569526 27402624.2054135 26872443.8345782 30369771.0079345 27941347.5390958 24934323.5199179 23724244.830988 PC(30:0) 3513034.60992008 3314938.50206477 2744662.44130311 3165034.59407226 2119908.52576835 2227836.80267965 2718673.07058691 2807658.06501245 2870199.21473998 2855422.33456202 3517154.86765475 5714263.24160694 4367123.85079425 4377274.81596322 3228920.47107091 2873981.3648039 3081763.46670425 3396970.35083708 4404299.49710948 3654715.96944649 2453512.58172986 2288659.79151486 2432774.56671617 2529867.62413018 2904564.31715676 3909211.85107745 4343008.9830115 3842278.4455704 4530089.67668745 4292143.77170853 2821715.23778664 3438173.63583623 2543455.19862493 2499149.64377372 2647821.32297197 4547070.18795728 2780826.74158153 3267133.20441158 2962009.3828091 3424594.14684492 4918659.34084729 6152807.5062188 4960126.94813744 5232643.78302138 4939356.25111284 5650716.07704743 4644300.75160004 5399890.43659166 4880779.2417022 5888484.46885549 3748169.72908894 3901328.02241251 3597376.6669434 3741300.76061392 3721605.8388614 3344045.17149611 3315345.37222488 3266365.49582407 nan nan nan nan nan nan nan nan 3881175.5569137 3870734.5247942 3369702.34002874 3258575.92252402 2900896.53549894 2885346.67376995 2339664.22324488 2392844.88392733 2522619.68761001 2398520.42481451 2096113.95181227 2028714.95588454 SM(d35:1) 169834.528805964 248617.385564078 215644.114958325 204439.104354436 176769.078221432 208664.080687448 153381.565491514 153613.918052547 150545.421776017 172844.422991025 176574.128729473 216108.225336956 123029.88396415 115558.435855799 206354.465566042 132515.697945948 171695.803744211 143797.749569192 160617.417563358 203872.070689595 239288.439655798 213803.172696852 201235.562319883 156043.2129259 168894.270075199 173488.015236899 168290.090270148 159014.164317061 191502.447845383 178503.608701787 168259.042555833 228796.669207415 184141.915468192 170461.124773851 142194.137432405 229190.303597676 218986.926619063 175611.045368637 195132.65355948 198969.487042966 216067.885000916 200788.718703758 193484.963101401 201196.915053515 215003.575144651 218854.870027654 182947.357327631 204339.014407137 201848.753198846 233586.807525865 231443.086197794 226418.814007648 220009.834907795 224759.009115708 220344.640541944 210905.260135864 218743.487675954 217441.012759737 nan nan nan nan nan nan nan nan 238283.082650038 234915.352294976 211344.324245146 224422.084880296 329970.485201054 342306.483466381 301420.586762217 305773.290337667 267714.275806417 269924.233099351 242306.610372695 250644.020068423 SM(d36:3) 761988.555317431 601998.425345031 519453.750580834 494080.536891661 404125.392857514 472628.41267619 490802.373041209 703513.553858489 722727.773223722 784216.304068559 762745.119471112 1014418.91129542 1097622.219004 1609924.82062707 527667.238416211 823693.928550645 708023.968843608 971896.857122437 1308469.42975242 812158.075454791 443673.729141439 426862.769590782 482725.26827432 665388.553854418 501252.969069734 896241.841357102 1093301.63911107 1299282.93114653 1052063.55796078 1298490.53536142 866994.001702387 692907.151815528 685085.570752785 647848.212169497 674459.683733736 754175.845958274 694145.176981406 874659.32711791 811548.130500566 575067.443727696 1177531.62178113 1286381.65149777 1798021.66169549 929682.979092035 1009694.62800992 1473809.82691736 1079138.74537527 2127531.29666284 1062322.38858979 1097399.10275547 1263896.00918383 1361442.81612474 1194635.85523769 1269443.34613752 1226881.77442361 1330491.8971342 1319358.93796124 1132209.37328021 nan nan nan nan nan nan nan nan 1555186.78291783 1340562.1036858 1336458.18016501 1193915.04842101 423619.259006443 538811.603367943 472159.399855719 496927.585681878 579924.21609921 573962.45302492 462868.051566933 460052.110589348 SM(d36:2) 2634008.91401808 3172562.3845936 2017739.12777184 2014294.97051618 1638993.28995575 1590188.971381 2473821.54165693 2755118.85999604 2365680.25226235 2821860.54426206 4416595.25418288 7327574.69617012 5354298.85320684 5439133.30487167 4554219.40407937 2834436.20802969 3303405.38180954 3224135.09814339 4987208.60539399 3830062.55067896 2196375.37085528 1642731.46520854 2761849.25563889 2172120.85014222 2297473.53033021 4888457.19963857 4907480.68638001 4868926.89630267 5637809.82394371 4993344.6827355 2648485.9974862 3570793.88425847 2428522.3798538 2341414.12823785 2654306.42607686 4619957.41701716 2573725.21209376 3658557.12555837 2800779.20347637 3448536.50368287 6704855.09887604 8178301.58830664 6615235.23515988 6497183.39676136 6284221.7463904 8097071.67399984 5818099.5572408 7663133.06072959 6317082.94623648 7507059.72476798 4235147.04509941 4406695.82071424 4137714.13806708 4142478.35520094 4128658.88596322 4108212.8810755 4007448.79689414 3884598.89762537 nan nan nan nan nan nan nan nan 4416807.16457978 4220590.42957734 4080053.20157725 3888784.31794375 2844594.31562161 2824157.33860678 2406881.44519698 2440470.19496499 2252389.99271728 2190156.61291685 1947896.38482641 1864835.89356476 PC(32:2) 12752643.3238502 11329870.044702 10925396.7806272 6879038.84812353 11615773.7370211 14077088.7254254 8223213.30591809 8919037.70624967 11601435.71373 10192107.8256731 6901624.56675441 6839161.07376462 9763298.50801532 9794831.93816103 6943822.51572428 13266778.2881956 11544730.6077154 11437146.0850401 9325353.81259423 10400336.6418581 8180877.68979225 11474089.4174623 6385099.89418199 10053351.1370841 8928649.042894 10863896.3952525 8139881.20494805 9155656.67013055 9332750.59514249 9043824.26190864 10915262.6886354 9983582.33180944 10691711.0813531 10395295.0108598 12423963.3240569 10048371.2298356 10480356.6547211 10277861.1308885 12296273.9882592 10452539.0926538 7945426.1277051 7656117.0534611 7234082.16445798 6944909.57935451 9107389.13187625 6351186.32809892 7474654.60258667 6559313.02126081 9887944.65655879 6475248.65723476 8175023.81892294 9156301.73436046 8267687.46113491 7533777.16871244 7711065.17051028 8320503.65198379 8563868.20602567 7333637.66091789 nan nan nan nan nan nan nan nan 10168612.9838446 7848458.95482438 8986914.06979865 7539299.65597236 9292561.50668731 9653891.72940336 8416511.80362728 8854713.22344838 13256188.9942311 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7890161.29107224 6600418.854747 6826382.14071837 5977788.38922505 8321773.23367146 8678627.30793375 7451498.51845608 7634776.71117467 11995011.3641498 11247297.2228209 10111567.3962611 8994348.73513848 PC(34:3) 3691562.2824382 3218602.96197882 4088472.44404938 3050328.7696325 3962973.64462262 4083836.64404657 3069960.04611001 3073831.89696922 3335332.29296184 3456781.75579349 5423796.0788582 5411661.76318758 7252422.97351135 8662143.28338782 5413539.64927291 5496776.59637925 4736924.6826833 4610977.47506268 6265557.9433008 5127026.17391935 5151603.26185459 3641564.00584966 2965551.3928046 3667680.92259552 3440357.64082854 6262112.23766345 6924087.56404754 5795594.89532667 5121174.02377793 5858128.12099255 3830862.63951336 3249841.49315633 3328251.25389679 3433526.44266602 3605733.86797678 3790153.18858387 3087516.02632156 4531479.56963362 3814283.50318673 3516301.97655374 5697335.23227709 5595051.15030162 8190770.41250779 5838902.93663693 6957511.51609828 5768820.88997134 5345697.05060341 6830597.91094007 7015003.1694432 6827527.33838833 5312252.91920407 5338694.72245697 4927449.76081082 4740880.82142248 4815888.1945036 5173694.19137191 5160507.56243873 5294426.05975111 nan nan nan nan nan nan nan nan 5363141.75990396 4808001.82674708 5089512.58996737 5246368.80747079 2107386.26645283 2160727.51233659 2225373.23010718 2279705.34612885 2261395.39375952 2149726.51527893 2565418.7201274 2501155.03244432 PC(34:2) 21961979.6557582 24340646.0566242 25664821.3131085 25363606.3794317 26580045.3510279 31275126.7202534 24354289.5182856 20618786.0271347 22554355.3850682 21339534.5611576 24002159.1263688 27350989.4011329 20205456.3490616 18446458.5563065 28193976.1105099 20209809.9874913 21947844.0146849 20247873.8656097 20652282.7799403 23294891.3485032 33417292.815894 22695864.1688807 26826827.4343563 20854321.8546841 22308370.5490732 20905035.3345922 20834829.4908398 22259634.7069689 25164990.8329169 22644252.410467 24504334.7722973 25515128.2051552 21973543.5745821 21165287.7535448 17331736.5342393 24370216.5178305 23948892.3601336 21130887.6105706 22273939.1315981 25160160.4992793 24401219.123692 27167430.9484475 23824117.0402181 27158203.6978756 29808988.0081539 23806066.2518593 22633082.3533898 25541404.6129488 24898454.5854019 28523191.8376212 37491997.4495337 38346323.6516302 36065983.1514424 35504930.6962743 36070522.1052476 34934891.2584209 34389607.4674392 34334193.5341933 371633.9372 301052.6975 444551.612 310396.3348 1528530.312 520645.8354 252290.797 216292.0453 38690423.9202453 36054619.0213014 34717345.5280218 33852573.8700613 26528936.1620296 27379496.9164105 22041014.0099354 23440312.2266408 25079363.1501582 26643277.7120648 21860454.5016226 23888300.7295025 SM(d38:1) 769047.711630179 495870.743356687 715550.614239572 764454.632508705 648337.949507166 684104.851642271 858260.973792831 457073.770542196 544767.202000208 585544.886750462 614911.942160828 1352303.86624794 435383.854182135 222160.004191277 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93455.5719774799 143851.148047434 86581.6499214322 83106.2778489411 126966.490883116 63606.4318412946 90311.7507066842 100117.376871621 91762.9759624314 120441.696001645 111186.528381355 58758.3770269189 81199.5294922963 162183.801816196 82666.1421616591 108115.330074779 121124.576457359 135320.372999834 104596.541895958 111364.529229584 130467.951049218 87297.4571182758 98955.8347429566 129876.741382208 93982.1608963909 111669.045826792 99647.5263033205 100064.513450984 120578.302754912 91379.3424040372 81220.7737403803 123342.406241545 121698.678285322 143556.330737379 156437.097055061 130235.323094098 127766.817435006 133394.181228693 183728.06795672 128406.219766216 124873.105782694 182887.081138343 177707.045289913 183732.38849473 178867.421268375 179746.121890268 175630.588712008 185225.029635614 172444.836165938 nan nan nan nan nan nan nan nan 176075.021888364 172484.728938094 175896.582866862 181207.895706399 164904.002143189 163162.017215188 189667.795819406 193509.65502573 130435.011627809 145206.719005675 142470.906868557 157145.991802975 PC(36:4) 14471195.6251637 16517330.6625149 17425678.8882274 19063188.9528642 17763106.1224225 19733809.3053335 19057174.899399 15352199.7712456 15131660.5468033 14314913.4567507 16281606.7307372 17753195.7992995 12698860.3898782 11458803.8597087 21722393.7279415 11721678.9315919 13489320.675127 11642037.9102967 12947639.260824 14058735.9611517 23416060.6123002 14170481.8831699 22070950.8934005 13280465.1302314 15393251.1726696 11560023.2242657 12261466.4222978 13137421.7056349 15595599.0463841 13929943.0582558 16504007.3707558 17672156.1559757 13913609.6453385 13665479.4808255 10525329.2893217 15915751.3906396 15715332.7113044 14234163.1744086 14602997.5536442 17072259.8712324 14984117.2867699 16643663.8990287 15827585.5072106 18259860.9013754 19255475.7983248 15545773.6660311 13781706.6323378 16440063.8162755 15386106.3820647 17936046.9470054 29035968.065738 29152533.7227235 27341271.7656145 27057566.4374256 27380614.3623397 26274867.712199 25671172.3713231 25770839.7536909 467931.3574 368436.4647 431309.6238 350168.2043 1874365.14 673915.8918 285448.9022 274695.9944 29324440.8098419 27240835.0097408 26375852.6941341 25178820.3980618 18560164.7004112 19016174.0110618 14867620.1740551 15701257.5514674 16801349.4987264 18587740.6574789 13940648.7497021 16043710.2926907 PC(36:3) 37272101.3114007 40164701.0935358 43161071.1673705 32534758.4289438 44648785.3437624 50471453.3515991 31868197.6374276 36094100.8695639 39364478.8716286 39511006.4159822 34727406.633422 36583862.2374335 40945651.1179976 38736846.1312244 30801551.0495405 46921165.8954643 42467059.1393737 41170948.5014335 34761346.3477959 40114868.7630251 47742771.0062991 39952032.7681853 28565987.6718124 39931850.176125 39032606.9467169 37641168.9669934 37314385.7404034 41896732.6312501 40393166.8457849 42691169.0604122 40352382.2451574 34840517.4844986 41768697.2077923 42174118.1589022 35526097.102412 35571526.5668943 40446161.5023123 33090183.5526933 40089537.5745017 39429372.8443586 34156249.0250126 38280126.4617366 31841962.0989941 36358789.9836013 39274370.5987438 32135144.1460408 35331575.0753412 29727404.717787 33084557.8028649 36973797.0474075 41111904.5763943 42107456.6692431 40399890.0629135 41330988.5971481 43647281.6037483 40384766.8991624 39719411.959759 40823543.5620123 79900.69303 64356.88773 90676.25907 65744.18963 245733.2776 110427.0379 49279.87143 52843.27514 42499872.9333655 42141758.5250938 40539126.3473782 39973051.2565776 40516146.7734729 40212336.0639622 36696562.1308984 36911592.883816 42592340.9913867 41731247.6368893 39403849.5874656 39198880.2730606 SM(d40:2) 6926985.77630566 5835691.42620377 5311397.0677233 4519938.88047666 5796860.84013473 5320275.27072489 5420369.17149425 5421004.00807421 5780362.77043028 7387895.31024405 6894028.41284351 8930184.4588088 8550410.48749372 6803551.60137546 6953315.63462429 6681258.51372995 7465797.26493149 8386298.08206327 5898661.25660728 8031476.53793211 7994880.52878856 5597333.4793573 6116402.80509105 6617658.48310854 5916784.34195463 8747829.64410714 8330644.87333586 8783397.108497 9039407.98654664 9250095.17898925 6584128.18217483 7189267.13808215 7074293.87824921 6461054.67730513 8016638.03689787 7416722.79005534 9049778.43999615 7460530.86723137 7452171.10482308 7638727.92239529 8944917.87702428 8632345.01766097 9407872.91305509 8100557.26348911 9671475.61201615 9211114.17654035 8471468.81565174 11720828.4955171 9151961.61694356 8874696.28641807 6516904.6929457 6870522.31230199 6228581.11653225 6182644.09300587 6646669.72687232 6175636.59838485 6526988.23630746 6593848.84053231 5864.858367 3727.927992 10218.96575 3139.553362 20229.38929 10843.1083 3278.253664 2535.66185 6757920.19210911 6288630.16590421 5941534.38912179 5213370.17670826 5587348.25429198 6746804.76790908 6870818.36277276 6628483.95194485 3531806.13687673 6238944.91183878 6565806.56163592 6331239.66382167 PC(36:2) 37431176.1219341 37900831.7347044 41250786.8423144 36103989.8969806 41877849.4915416 48022054.9110605 36156113.0869803 35396815.1731601 38791645.5399065 37410619.3219384 35297815.8324281 37193371.2605017 31794702.5336012 30808321.8363323 35990012.8223729 33314668.0104591 34789803.4662126 32957650.0049371 32968343.7226486 35031629.1829535 51455144.4395336 38221270.8314019 36393678.0080663 36796161.6991522 36616492.8891867 32749133.0733727 32579012.7418316 35316361.682075 37432631.4798399 35825627.6203083 40712933.3024956 38926407.1578594 36811705.9073296 37189471.4189976 31774206.7384331 37078232.0828935 39838317.6536072 34084773.9002574 38197920.7294793 40253661.59398 33997790.0262091 38083891.7477361 32413018.2991903 37165541.1679575 40339621.4239057 31941833.0086089 33306534.1667405 33859897.406554 34259373.0561907 37813784.3218894 49263610.9294884 50278654.3158869 47787566.8945509 46483412.6553453 47887092.8051969 46802659.4880121 43885750.7381638 46170317.2839596 356172.1118 283853.5019 373062.6089 259904.3869 1500614.613 532424.1639 210896.3182 211959.9986 50670196.4280707 46818492.3312424 46481585.2957073 45272459.4490859 42313128.2829573 42171541.6984985 36098601.7875569 36503244.4206039 41513352.2831522 41913381.7910832 36312937.6935874 37438616.5062428 SM(d40:1) 8544269.35548243 7786025.40875223 14572389.1438341 13292900.1308402 12906292.7549042 13343879.4832986 14617713.1302589 7399323.86941044 9227389.97511105 9769718.76136426 12308859.620173 17232506.8201308 10106516.1622516 6838969.61588297 15948866.5955819 7229787.8322287 8498221.67708294 10552326.5061109 14598575.2181021 14052675.6210951 18029744.7188254 10617309.3632455 13765698.7735747 11481664.1510996 10988526.7677674 10639215.4413483 11246429.3134069 11899943.1712927 10679962.2943869 12767228.9892758 9431440.45106291 11206821.7812845 9277720.90834219 10460593.7233432 8312729.18031155 12129515.1164097 13598563.1075955 12761775.8015436 12934922.6742367 13528295.123888 13031756.4350697 13190227.6891459 11773700.5004314 12457419.6994739 12718640.4314296 11758394.6679135 11111425.3392291 11925061.5670382 10593445.8659337 11711925.6417905 8374504.88264291 9975782.69645778 9812006.48419961 9398410.71632122 8555475.12473414 8818781.53083258 9590630.20697709 9204654.57663039 nan nan 8806.209771 7549.892188 10818.77774 3076.15863 nan 3187.452244 9825764.43980681 10015078.2954788 9588466.92843321 10675142.437439 21639920.1219503 22575488.7667118 21088351.5939396 21086766.3580099 22080579.90986 21072324.5372509 20922310.3922208 20194031.0180771 PC(38:6) 27828832.1934499 27888710.8629377 25600904.910136 24204734.1380173 26301338.3822231 26818577.8152371 29078257.3948919 28765112.2645065 29134203.2953171 28846882.7322282 29674577.5406239 31326211.0448911 25663747.2931744 25741628.5036041 29543468.6420789 25091120.6354561 26016217.1821278 25923699.1816213 26684665.7180993 26559521.5601538 38833341.3222516 27219513.7552364 30908654.4282026 27334779.3361009 28098200.6137187 26933229.1300525 27015690.0398646 28337855.1026822 30876032.3922023 28765937.2880367 30898711.2035702 30189934.7522025 27287115.0394852 27511342.6473917 23607125.5129156 30313913.1757122 29933975.419654 27536837.253903 29348269.2936362 31038944.2195123 28642556.5907317 31552823.5573036 28268772.9285893 33025191.6062492 33442887.0225163 28704223.1432742 26993819.1853016 29500413.5958385 29675054.955236 32521388.1735464 36290416.4781351 37937873.7834271 36108780.8400776 35666650.8323016 36451254.0604992 35221242.1542327 35015426.0883337 35245586.3109411 121945.209 96891.56152 103053.5644 85740.99177 465252.6655 164744.3108 72411.00703 73571.10443 37884287.9786687 36245651.0868594 35062217.0777157 34787474.4959495 31183783.8778974 31176237.759123 26921293.5203717 27260406.5119862 30322465.5091785 30515453.6845262 26477400.655874 27376274.2327082 SM(d42:2) 48845342.1182584 41203726.6862191 46191459.9656436 37926449.0227143 37782543.6395515 37720100.8750748 40066814.3357169 42004496.8055635 46548746.1191164 47628582.1392195 55933727.4685647 53197824.6710895 50807284.9683204 39755552.0102289 46372564.1064075 41233166.9017564 43942409.9491637 52048734.8339009 57597999.4138397 53429215.0584457 49893150.4735601 47495241.6083321 37070973.8684398 48356520.9985884 44562850.4838137 46483393.9872875 52191064.1379012 52009827.4437463 47266962.4666202 46683097.5417256 44325636.8616669 45246740.0099809 43064716.1040816 43874433.3519604 42556493.5762239 52745751.5494319 48194756.0632345 48834775.5487362 47300414.0896425 49880274.0588979 52773779.4883558 50629572.4223197 52173100.1482072 52499854.5863115 53920511.2350225 53008136.7060417 49688296.9868654 57549298.4882117 54315561.0389653 55800755.7682718 42130684.2546796 45709804.6077572 43662864.5282499 43506193.4263861 43887996.9462483 44640712.2456173 46340930.6653212 40830899.4289586 15864.98871 16570.72812 26208.66433 21523.45779 94739.99387 41716.81972 25793.01687 23814.40458 46406624.0430097 43910730.7049975 45914705.2699849 41703480.8410827 45268648.364661 46387270.4591368 43206081.2820319 43139958.0907106 46810237.1275551 44198576.8599458 43153063.990297 40644384.533929 SM(d42:1) 10305853.6384928 11760674.6922716 20083272.2065863 25937544.0411301 18481956.4054829 17298506.2332248 19066695.1255327 5629575.33680787 10461790.8019123 14228259.7187511 14677583.8570041 27541757.8592955 10742530.2214671 9882641.74247307 19665760.8521799 10414919.6822455 7772285.29341386 17659243.8552528 30663042.8820089 22566325.1758456 24066675.1052752 13969974.6180264 30437472.4222446 16717541.1246835 16488805.3385074 19867835.1912329 20258999.0659204 28540662.3146733 16764149.7067962 34501513.7790909 13442619.0756129 15078938.1973866 8616831.26783564 11759850.2161781 13123682.2822889 17956744.096455 31381799.5035099 23950940.432688 31657740.5122638 20281447.0612058 19734972.1832771 22000063.4256794 14173962.6441055 21224053.7539979 15079168.7844456 28245801.4483109 11227791.7207547 13217224.3619944 18914117.5687688 21436039.6254479 52855728.6307269 75531018.9265325 64862828.4281425 67603538.1461316 55039108.0851401 66418938.2801686 69525850.201288 54677580.8223743 nan nan nan nan nan nan nan nan 88346772.9170443 58574964.1957748 77666394.1935874 64674185.9487011 28847837.2684306 31747806.2696216 24625816.0874388 26562506.1621369 30834745.2491056 28770938.4961616 25102339.5630866 24151887.6852968 PC(40:8) 1825657.86180094 1957267.36415984 2011795.76832612 2235292.92577278 2040786.46341942 2247470.34161682 2451851.72714368 1893591.78456935 1761262.2268246 1821632.00893892 2242118.21709261 2144590.53846495 1472910.4883541 1309890.52126782 3109690.29080231 1157922.02752952 1426016.85393758 1209493.83962081 1650738.4095139 1621997.06520884 3129784.34525319 1723856.65565565 3270052.03527807 1686704.80883445 1819885.41111978 1489901.03025455 1587205.2581067 1720688.20355859 1798508.29629605 1519797.48269113 2052380.13832282 2319506.71120382 1645555.25432511 1625001.97340388 1216200.43039977 2184577.03506949 1986566.57697419 2190231.11408931 1612785.47191496 2212576.73904418 2142428.04483059 2129130.23860441 2351584.17476052 2321529.81926023 2483144.83730623 2208816.07324446 1790673.26891736 2579157.13269894 2291301.05895082 2267868.5789817 3527511.707152 3685118.12383211 3403131.87386586 3280580.92100382 3289550.4611815 3652061.75210119 3540337.84480289 3568394.82226303 34960.24693 31543.94601 25562.64146 30495.53345 112945.6947 48354.5417 21092.40195 21654.56518 3735301.01710364 3130437.82328995 3626135.93923128 3527299.89834524 1869394.26312764 1944861.31512488 1775601.17183124 1874685.26991048 1691986.64484305 1912799.2728292 1658959.530463 1965150.94950469 PC(40:6) 24649047.9167448 22992289.3338211 22776561.9060094 20082658.3114583 22301009.8382567 22775659.1901696 24529157.3335656 25309578.2428985 25930026.8927304 25393442.8160105 25109158.3658611 26720354.9465918 21329287.2466487 19978758.1973044 27157639.3496269 21980246.3972785 23757083.1893786 21702347.8551262 21944853.8248282 24065944.5226733 33607735.7168452 23641110.3164614 25872286.3216249 24552436.989983 25080303.5488518 21425331.2581587 21622788.7105113 23838819.4564544 26009170.6877427 24108787.5621497 26997175.1443241 26187605.7141077 24990623.3934207 24752733.7961346 21322711.9687496 25933523.0304498 25114541.3556569 24612303.2015883 25249061.1128945 26494103.6525999 22684479.6933815 26661610.847582 23217216.0317616 26048022.9029967 28775141.5799325 21273539.2112752 22206638.2332215 23468698.7153617 22736870.8940862 25741024.3628779 34277949.1765572 35531775.5638503 33750691.9457373 33141764.8710068 34299638.8560296 33071221.8326568 32433599.8355687 32691562.4903288 201656.5956 149713.1739 147760.2289 120602.2454 786782.7572 282598.8895 94733.10728 96879.23452 35681378.7367742 33752223.1416575 32863427.5604168 32032845.2672282 23583811.6369493 23601456.7292859 20768293.083148 20962133.5008698 23541688.5728265 23329924.5096003 20857902.3209018 21114206.563557 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name formula mz neutral_mass refmet_name rt alanine C3 H7 N O2 90.055176 89.0479 Alanine 0.7 2-piperidinone C5 H9 N O 100.074476 99.0672 2-Piperidinone 3.15 aminobutyrate C4 H9 N O2 104.070476 103.0632 Aminobutyric acid 0.75 dimethylglycine C4 H9 N O2 104.070476 103.0632 Dimethylglycine 0.75 choline C5 H13 N O 104.107476 103.1002 Choline 0.63 uracil C4 H4 N2 O2 113.034476 112.0272 Uracil 1.85 2-acetylpyrrolidine C6 H11 N O 114.091776 113.0845 2-Acetylpyrrolidine 4.15 proline C5 H9 N O2 116.071776 115.0645 Proline 0.71 valine C5 H11 N O2 118.086276 117.079 Valine 0.99 niacinamide C6 H6 N2 O 123.055676 122.0484 Niacinamide 1.36 pyroglutamate C5 H7 N O3 130.049976 129.0427 Pyroglutamic acid 1.47 pipecolate C6 H11 N O2 130.086176 129.0789 Pipecolic acid 1.02 Isoleucine C6 H13 N O2 132.101576 131.0943 Isoleucine 1.8 leucine+ isoleucine C6 H13 N O2 132.101776 131.0945 Leucine/Isoleucine 1.91 leucine C6 H13 N O2 132.101876 131.0946 Leucine 1.91 hypoxanthine C5 H4 N4 O 137.047676 136.0404 Hypoxanthine 1.66 glutamine C5 H10 N2 O3 147.076276 146.069 Glutamine 0.63 methionine C5 H11 N O2 S 150.056676 149.0494 Methionine 1.12 S-allylcysteine C6 H11 N O2 S 162.058676 161.0514 S-Allylcysteine 2.4 carnitine C7 H15 N O3 162.112576 161.1053 Carnitine 0.77 urate C5 H4 N4 O3 169.035476 168.0282 Uric acid 1.25 N-acetylleucine C8 H15 N O3 174.114076 173.1068 N-Acetylleucine 5.27 suberate C8 H14 O4 175.095676 174.0884 Suberic acid 5.82 indoleacetate C10 H9 N O2 176.070476 175.0632 Indoleacetic acid 5.92 serotonin C10 H12 N2 O 177.102076 176.0948 Serotonin 2.36 hippurate C9 H9 N O3 180.065676 179.0584 Hippuric acid 4.34 glucose C6 H12 O6 181.069976 180.0627 Glucose 0.94 azelaate C9 H16 O4 189.112276 188.105 Azelaic acid 6.69 indole-3-methyl acetate C11 H11 N O2 190.085776 189.0785 Indole-3-methyl acetate 7.1 3-indolepropionate C11 H11 N O2 190.085976 189.0787 3-Indolepropionic acid 6.66 N-acetylmethionine C7 H13 N O3 S 192.067376 191.0601 N-Acetylmethionine 3.93 citrate C6 H8 O7 193.034176 192.0269 Citric acid 1.25 3-hydroxyphenyl-valerate C11 H14 O3 195.101076 194.0938 3-Hydroxyphenyl valeric acid 9.18 sebacate C10 H18 O4 203.127976 202.1207 Sebacic acid 7.79 Car(2:0) C9 H17 N O4 204.123276 203.116 CAR(2:0) 1.09 tryptophan C11 H12 N2 O2 205.097676 204.0904 Tryptophan 3.6 indole-3-lactate C11 H11 N O3 206.080976 205.0737 Indolelactic acid 5.48 kynurenine C10 H12 N2 O3 209.092076 208.0848 Kynurenine 2.68 3-methoxytyrosine C10 H13 N O4 212.091576 211.0843 3-Methoxytyrosine 2.55 Car(3:0) C10 H19 N O4 218.138876 217.1316 CAR(3:0) 2.2 pantothenate C9 H17 N O5 220.118076 219.1108 Pantothenic acid 3.42 diethylphthalate C12 H14 O4 223.098276 222.091 Diethyl phthalate 8.11 Ile-Pro C11 H20 N2 O3 229.150976 228.1437 Ile-Pro 1.7 Leu-Pro C11 H20 N2 O3 229.154576 228.1473 Leu-Pro 2.06 Car(3:0, 2-CH3) C11 H21 N O4 232.154376 231.1471 CAR(4:0)_rp_a 3.04 Car(4:0) C11 H21 N O4 232.154776 231.1475 CAR(4:0)_rp_b 3.11 cytidine C9 H13 N3 O5 244.092276 243.085 Cytidine 0.97 Car(5:1) C12 H21 N O4 244.154076 243.1468 CAR(5:1) 3.69 N-undecanoylglycine C13 H25 N O3 244.190176 243.1829 N-Undecanoylglycine 8.43 uridine C9 H12 N2 O6 245.076376 244.0691 Uridine 1.83 Car(5:0) isomers C12 H23 N O4 246.170076 245.1628 CAR(5:0) 3.95 Car(5:0) C12 H23 N O4 246.170076 245.1628 CAR(5:0)_rp_b 3.95 Car(4:0,3-CH3) C12 H23 N O4 246.170176 245.1629 CAR(5:0)_rp_a 3.89 FA(16:1) C16 H30 O2 255.230176 254.2229 Palmitoleic acid 11.21 sn-glycero-3-phosphocholine C8 H20 N O6 P 258.109776 257.1025 sn-Glycero-3-phosphocholine 0.86 Car(6:0) C13 H25 N O4 260.185676 259.1784 CAR(6:0) 5.01 gamma-glutamylisoleucine C11 H20 N2 O5 261.144176 260.1369 gamma-Glutamylisoleucine 4 gamma-glutamylleucine C11 H20 N2 O5 261.144376 260.1371 gamma-Glutamylleucine 4.16 Car(5:0-OH) C12 H23 N O5 262.164576 261.1573 CAR(5:0(OH)) 2.53 deoxyguanosine C10 H13 N5 O4 268.103576 267.0963 Deoxyguanosine 2.41 inosine C10 H12 N4 O5 269.085076 268.0778 Inosine 2.46 sphinganine (C16) C16 H35 N O2 274.274276 273.267 C16 Sphinganine 8.5 N-gammaglutamylmethionine C10 H18 N2 O5 S 279.102676 278.0954 gamma-Glutamylmethionine 2.82 monoethylhexyl phthalate C16 H22 O4 279.159376 278.1521 Monoethylhexyl phthalic acid 10.27 FA(18:2) C18 H32 O2 281.243976 280.2367 Octadecadienoic acid 11.5 oleamide C18 H35 N O 282.278676 281.2714 Oleamide 11.38 FA(18:1) C18 H34 O2 283.263276 282.256 Oleic acid 11.61 Car(8:1) C15 H27 N O4 286.200176 285.1929 CAR(8:1) 6.04 Car(8:0) C15 H29 N O4 288.216776 287.2095 CAR(8:0) 6.74 edetate C10 H16 N2 O8 293.098876 292.0916 Edetic acid 0.77 Glu-Phe C14 H18 N2 O5 295.128576 294.1213 Glu-Phe 4.36 5'-methylthioadenosine C11 H15 N5 O3 S 298.097376 297.0901 5'-Methylthioadenosine 3.95 sphingosine (C18) C18 H37 N O2 300.289376 299.2821 Sphingosine 9.66 sphinganine (C18) C18 H39 N O2 302.305076 301.2978 Sphinganine 9.8 benzylbutylphthalate C19 H20 O4 313.144176 312.1369 Benzyl butyl phthalate 10.23 Car(10:1) C17 H31 N O4 314.232376 313.2251 CAR(10:1) 7.51 Car(10:0) C17 H33 N O4 316.247976 315.2407 CAR(10:0) 7.97 MG(16:0) C19 H38 O4 331.284676 330.2774 MG(16:0) 11.38 Car(12:1) C19 H35 N O4 342.262676 341.2554 CAR(12:1) 8.44 Car(12:0) C19 H37 N O4 344.279576 343.2723 CAR(12:0) 8.84 MG(18:1)_a_b C21 H40 O4 357.299876 356.2926 MG(18:1) 11.47 MG(18:1)_b C21 H40 O4 357.299876 356.2926 MG(18:1)_rp_b 11.47 cortisol C21 H30 O5 363.215876 362.2086 Cortisol 7.87 Car(14:2) C21 H37 N O4 368.279476 367.2722 CAR(14:2) 8.81 cholesterol C27 H44 369.352076 368.3448 Cholesterol 13.45 Car(14:1) C21 H39 N O4 370.295476 369.2882 CAR(14:1) 9.18 Car(14:0) C21 H41 N O4 372.311276 371.304 CAR(14:0) 9.49 sphingosine-1P (C18) C18 H38 N O5 P 380.256676 379.2494 Sphingosine 1-phosphate 10.65 25-hydroxy-cholesterol C27 H44 O 385.348776 384.3415 25-Hydroxycholesterol 12.41 bis(2-ethylhexyl)phthalate C24 H38 O4 391.286276 390.279 bis(2-Ethylhexyl)phthalic acid 11.88 deoxycholate C24 H40 O4 393.299976 392.2927 Deoxycholic acid 10.6 Car(16:3) C23 H39 N O4 394.295076 393.2878 CAR(16:3) 9.18 Car(16:2) C23 H41 N O4 396.310676 395.3034 CAR(16:2) 9.37 Car(16:1) C23 H43 N O4 398.326676 397.3194 CAR(16:1) 9.67 Car(16:0) C23 H45 N O4 400.343476 399.3362 CAR(16:0) 9.98 Car(18:2) C25 H45 N O4 424.343276 423.336 CAR(18:2) 9.85 Car(18:1) C25 H47 N O4 426.358976 425.3517 CAR(18:1) 10.09 Car(18:0) C25 H49 N O4 428.374576 427.3673 CAR(18:0) 10.35 alpha-tocopherol C29 H50 O2 431.385576 430.3783 alpha-Tocopherol 13.36 glycochenodeoxycholate C26 H43 N O5 450.320576 449.3133 Glycochenodeoxycholic acid 10.18 Car(20:0) C27 H53 N O4 456.404776 455.3975 CAR(20:0) 10.64 glycocholate C26 H43 N O6 466.317176 465.3099 Glycocholic acid 9.54 LPC(14:0) C22 H46 N O7 P 468.309876 467.3026 LPC(14:0) 10.55 LPE(18:0)_b C23 H48 N O7 P 482.324876 481.3176 LPE(18:0)_rp_b 11.45 LPC(15:0) C23 H48 N O7 P 482.325076 481.3178 LPC(15:0) 10.83 LPC(16:1)_a_b C24 H48 N O7 P 494.325576 493.3183 LPC(16:1) 10.72 LPC(17:0)_a_b C25 H52 N O7 P 510.354776 509.3475 LPC(17:0) 11.25 LPC(18:2)_b C26 H50 N O7 P 520.336776 519.3295 LPC(18:2)_rp_b 10.88 LPC(18:2)_a_b C26 H50 N O7 P 520.338676 519.3314 LPC(18:2) 10.78 LPC(18:1)_b C26 H52 N O7 P 522.355676 521.3484 LPC(18:1)_rp_b 11.16 LPC(20:4)_b C28 H50 N O7 P 544.337776 543.3305 LPC(20:4)_rp_b 10.88 LPC(20:4)_a_b C28 H50 N O7 P 544.338976 543.3317 LPC(20:4) 10.81 LPC(20:3)_b C28 H52 N O7 P 546.354776 545.3475 LPC(20:3)_rp_b 11.47 LPC(20:3)_a_b C28 H52 N O7 P 546.355276 545.348 LPC(20:3) 11.46 LPC(20:0) C28 H58 N O7 P 552.403976 551.3967 LPC(20:0) 11.74 biliverdin C33 H34 N4 O6 583.255076 582.2478 Biliverdin 9.18 bilirubin C33 H36 N4 O6 585.270676 584.2634 Bilirubin 7.88 DG(34:2) C37 H68 O5 593.515576 592.5083 DG(34:2) 14.57 DG(34:1) C37 H70 O5 595.530876 594.5236 DG(34:1) 15.31 DG(36:3) C39 H70 O5 619.531776 618.5245 DG(36:3) 14.79 DG(18:1_18:1) C39 H72 O5 621.546976 620.5397 DG(18:1_18:1) 15.57 SM(d32:1) C37 H75 N2 O6 P 675.545676 674.5384 SM(d32:1) 12.43 SM(d34:2) C39 H77 N2 O6 P 701.561876 700.5546 SM(d34:2) 12.53 PC(30:0) C38 H76 N O8 P 706.539976 705.5327 PC(30:0) 12.99 SM(d35:1) C40 H81 N2 O6 P 717.589576 716.5823 SM(d35:1) 13.1 SM(d36:3) C41 H79 N2 O6 P 727.572876 726.5656 SM(d36:3) 12.64 SM(d36:2) C41 H81 N2 O6 P 729.592376 728.5851 SM(d36:2) 12.99 PC(32:2) C40 H76 N O8 P 730.540776 729.5335 PC(32:2) 12.72 SM(d36:1) C41 H83 N2 O6 P 731.607776 730.6005 SM(d36:1) 13.39 PC(32:1) C40 H78 N O8 P 732.556576 731.5493 PC(32:1) 13.03 PC(32:0) C40 H80 N O8 P 734.572376 733.5651 PC(32:0) 13.47 PC(33:2) C41 H78 N O8 P 744.555676 743.5484 PC(33:2) 12.95 PC(34:4) C42 H76 N O8 P 754.540376 753.5331 PC(34:4) 12.68 PC(34:3) C42 H78 N O8 P 756.555576 755.5483 PC(34:3) 12.94 PC(34:2) C42 H80 N O8 P 758.572376 757.5651 PC(34:2) 13.22 SM(d38:1) C43 H87 N2 O6 P 759.637276 758.63 SM(d38:1) 14.1 PC(34:1) C42 H82 N O8 P 760.587976 759.5807 PC(34:1) 13.61 PC(35:3) C43 H80 N O8 P 770.567276 769.56 PC(35:3) 13.04 PC(35:2) C43 H82 N O8 P 772.587676 771.5804 PC(35:2) 13.5 thyroxine C15 H11 I4 N O4 777.692576 776.6853 Thyroxine 8.45 PC(36:4) C44 H80 N O8 P 782.572576 781.5653 PC(36:4) 13.12 PC(36:3) C44 H82 N O8 P 784.587876 783.5806 PC(36:3) 13.33 SM(d40:2) C45 H89 N2 O6 P 785.653676 784.6464 SM(d40:2) 14.23 PC(36:2) C44 H84 N O8 P 786.603576 785.5963 PC(36:2) 13.87 SM(d40:1) C45 H91 N2 O6 P 787.671176 786.6639 SM(d40:1) 15.07 PC(38:6) C46 H80 N O8 P 806.572476 805.5652 PC(38:6) 13.08 SM(d42:2) C47 H93 N2 O6 P 813.687276 812.68 SM(d42:2) 15.19 SM(d42:1) C47 H95 N2 O6 P 815.702676 814.6954 SM(d42:1) 16.37 PC(40:8) C48 H80 N O8 P 830.568976 829.5617 PC(40:8) 13.28 PC(40:6) C48 H84 N O8 P 834.603776 833.5965 PC(40:6) 13.69 METABOLITES_END #END