#METABOLOMICS WORKBENCH efahy_20230425_000075 DATATRACK_ID:3972 STUDY_ID:ST002653 ANALYSIS_ID:AN004325 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 Heart Powder 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-2 Group:QC-DriftCorrection | Timepoint:0 hour | Sex:- | Tissue:- raw_file=20191014-EX00979-A003-IN0028-CS00000MP-2-P.zip SUBJECT_SAMPLE_FACTORS - CS00000MP-3 Group:QC-DriftCorrection | Timepoint:0 hour | Sex:- | Tissue:- raw_file=20191014-EX00979-A003-IN0028-CS00000MP-3-P.zip SUBJECT_SAMPLE_FACTORS - CS00000MP-4 Group:QC-DriftCorrection | Timepoint:0 hour | Sex:- | Tissue:- 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Tissue:Rat Heart Powder raw_file=20191014-EX00979-A003-IN0028-S00042126-90576015807-P.zip SUBJECT_SAMPLE_FACTORS DC8B35E8-4AA8-4829-8569-F223D069620C 90578015807 Group:Training | Timepoint:2 weeks of training | Sex:Female | Tissue:Rat Heart Powder raw_file=20191014-EX00979-A003-IN0028-S00042127-90578015807-P.zip SUBJECT_SAMPLE_FACTORS 8904857C-2073-4BBA-AC7C-1EC239E5BFF7 90581015807 Group:Training | Timepoint:2 weeks of training | Sex:Female | Tissue:Rat Heart Powder raw_file=20191014-EX00979-A003-IN0028-S00042128-90581015807-P.zip SUBJECT_SAMPLE_FACTORS 1F9BD644-303F-43E7-94BE-FF6654306F5E 90585015807 Group:Training | Timepoint:2 weeks of training | Sex:Female | Tissue:Rat Heart Powder raw_file=20191014-EX00979-A003-IN0028-S00042129-90585015807-P.zip SUBJECT_SAMPLE_FACTORS 0409BED3-F9FE-4C06-9920-74F5E5CA04A3 90587015807 Group:Training | Timepoint:2 weeks of training | Sex:Female | Tissue:Rat Heart Powder raw_file=20191014-EX00979-A003-IN0028-S00042130-90587015807-P.zip #COLLECTION CO:SAMPLE_TYPE Heart #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_pos_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 ST002653_AN004325_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 90217015807 90218015807 90222015807 90223015807 90225015807 90227015807 90229015807 90232015807 90237015807 90239015807 90245015807 90248015807 90251015807 90252015807 90254015807 90258015807 90259015807 90265015807 90266015807 90267015807 90280015807 90281015807 90283015807 90289015807 90292015807 90406015807 90410015807 90412015807 90416015807 90420015807 90421015807 90422015807 90423015807 90426015807 90430015807 90439015807 90441015807 90444015807 90449015807 90450015807 90559015807 90560015807 90564015807 90567015807 90571015807 90576015807 90578015807 90581015807 90585015807 90587015807 CS00000MP-2 CS00000MP-3 CS00000MP-4 CS00000MP-5 CS00000MP-6 CS00000MP-7 CS00000MP-8 CS00000MP-9 CS00000PB-1 CS00000PB-2 CS00000PB-3 CS00000PB-4 CS00000SB-1 CS00000SB-2 CS00000SB-3 CS00000SB-4 CS00000SB-5 CS0000OP0-1 CS0000OP0-2 CS0000OP0-3 CS0000OP0-4 CS0000OP0-5 CS0000OP0-6 CS0000OP0-7 CS000QCMP-1 CS000QCMP-2 CS000QCMP-3 CS000QCMP-4 CS0UMRG01-1 CS0UMRG01-2 CSMR80022-1 CSMR80022-2 CSMR80022-3 CSMR80023-1 CSMR80023-2 CSMR80023-3 2-piperidinone 15907.7582995564 11627.3851806983 17526.4009024445 17052.6571944788 12543.0795681848 12000.6805341253 20632.0221579788 19828.0095601609 15018.1149867537 20849.2598648794 10024.7442968089 11455.7823519936 16754.4333239001 19559.9622504298 13229.5299880105 12286.7001076246 19134.7102333486 15093.6739423961 17094.2191136351 11797.2473025772 19419.0463327196 18545.5861680042 22752.0100012829 21948.0426973247 14748.0459600237 14839.190202938 19451.921449693 23390.2363061584 13113.3325172586 17600.5302795584 17922.8807204538 14412.603320856 30423.2500532737 19621.5388460825 26923.2723405573 19349.2177244644 26947.6751695348 14681.9193293725 17689.5280743696 18312.7975009443 15021.9595489519 12821.8512183972 13823.1835708602 15975.0752826626 13488.5269122228 11742.9586506731 14070.7412366159 12268.2997578137 15304.1875310234 13524.2541974235 20734.313164799 15766.7137255691 17815.3622946434 17931.0165794392 16599.2669199412 20716.9260456285 13358.4401694598 17576.9492630958 16662.92852 16637.04773 12468.98702 8362.348638 nan nan nan nan nan 31948.4938539203 25553.3688248234 26173.9940366681 25042.0531383596 28998.1685431516 24345.8449738788 22897.8264429075 24183.6307657335 15966.5211696335 18153.1822181912 19391.9805999239 56644.2793858707 65045.7388800437 24657.1007024324 21899.8687553548 13664.0663455449 17671.5233997898 19524.1753422491 11552.5706231138 choline 908618.32413533 698192.416572179 773153.194910052 652464.320980737 635785.612056176 799818.567876 753693.117348898 830867.241442032 757066.312752764 774795.585860005 708088.961135243 711657.659134691 701688.368189453 684926.832126457 729144.416199001 778000.775376913 728274.185141837 725870.461520123 900642.167581305 752458.289818449 610393.516628477 571948.196434486 682047.241293208 614442.290156416 779199.331929844 756834.945658895 814318.45088773 736259.990348106 694141.150017434 889830.63954666 721419.544685098 647097.408144688 735277.812521985 732755.130651711 699607.165681415 809122.710265053 622556.747657223 664939.093554411 746911.60552856 682677.096730039 713614.94976186 663578.660845471 868210.525726444 809792.74000032 790098.54968539 776140.200683772 882620.475222152 711998.636736414 738791.301616864 803052.392021381 678335.203722155 663082.421415818 692381.092347489 664320.986768765 667522.572250993 659473.550830994 665868.017983753 661719.49749355 34487.19886 40870.20185 40596.23604 44884.64923 42962.43532 29016.92407 42628.1059 43143.50125 42542.5634 616905.664717857 17094669.5565724 17276299.6849986 596899.678488801 592668.473151409 600981.326681523 585813.554187319 682859.440675709 664094.225212417 654490.194787485 674204.944464526 nan nan 468206.712795585 474615.774508062 483904.945178461 539021.098342467 542737.715565818 550450.403279712 2-acetylpyrrolidine 16384777.1797441 11688492.18792 19701259.3489075 14523529.720045 9708052.45311187 7828695.16499656 9835282.79206606 14192630.9718882 13863170.9408955 14584757.4714503 9443687.57390247 7111461.58622335 5693767.61872345 3440581.8580765 4958324.42625391 7474382.9896946 12196407.4266623 17690745.4497873 16573290.1224278 7882512.20771863 6030309.16235533 5759544.44476891 7219828.09668952 6099151.18874277 6766864.67137043 5898995.37453882 15080135.9752798 18855982.516748 7247818.21771401 6725634.56176033 7195408.67926365 6729985.17496459 7164471.98621434 5629652.94334338 6503737.03850789 14590574.0979468 18598227.1234864 8918917.79749604 7488539.68180138 6577876.34805681 6296977.29171543 5515814.79956711 6746234.30849592 7992510.93366664 13944970.1126607 13777435.4459228 8729017.49585709 6613415.10647741 10571381.8923661 10280930.857519 5035044.31652227 4764666.286379 4728920.1513101 4710375.78981212 4861780.27016774 4825439.86645664 4808046.32097733 4615254.06412459 18938186.69 18819036.71 14836561.28 5289018.711 nan nan nan nan nan 4206474.00379147 3822815.44354152 3766726.2879398 3744545.29444984 3777449.34045525 3755928.29472762 3863296.53727368 5325139.59699269 4739410.40996325 4899430.49661226 4740011.42196409 9831967.45282454 10070674.333072 18042355.7391356 18353314.8443257 18490643.8592934 12763183.2813931 12722347.7915048 12801948.9640229 proline 194046.647352776 187045.448087991 187196.779284904 181771.346609196 195590.190790767 232808.67850432 182215.370252215 154781.020749911 198304.567596461 218179.393548029 194317.254734033 194746.883555693 234278.225451243 193427.179926384 213934.25383849 229593.18426805 252926.094867719 235727.609038853 194611.760987969 188377.503503759 130976.962130276 158334.345233661 138041.094401727 161113.904639321 180644.468624502 160253.033754395 184465.999495102 215177.903114661 174904.918815325 187691.803939918 151190.526214872 138324.584919128 173587.364131719 180750.967404817 134566.785443306 154579.82815629 154897.927138373 148114.476877507 152664.809236388 192136.946867757 179042.006069159 220265.261254096 162166.64662543 198808.037757795 220510.02114206 161641.673633488 207951.580303183 167474.249797925 160947.424453141 174324.639436383 190485.808726033 190270.750576553 191257.280689131 178424.354929738 192426.279129867 195117.433940107 189392.699373974 194458.414188954 9563.753409 9478.597124 8545.407229 5641.051567 10843.62497 12782.88766 12116.76986 10647.59415 10973.00112 279057.031774977 7134103.0104275 7613697.5050017 271685.092532618 242676.240733788 254699.484009193 250200.56615108 194636.815296833 190187.819661576 192548.825272653 180221.417338581 296989.880511136 295952.380972142 174543.579569263 175944.50853514 178088.153939898 185037.434685629 185200.653272535 185761.702190602 valine 869953.26381166 748938.307123467 927840.540254253 848403.530085661 915038.208480028 902380.525056591 656648.534462629 689464.273412694 803530.81396791 850992.182770608 877027.150578203 816960.46524866 994540.857194031 833249.733698297 974122.996247802 1164705.58392664 1201412.88031697 725541.99761406 665140.393296097 1027618.2715914 509329.28258394 685525.763318256 559258.70910638 579306.283765856 751901.384530457 862101.463867735 807631.884418543 812617.972605659 774860.135131929 688079.481698378 658124.583358332 663166.164376014 830208.021886398 610071.172571887 555730.000899699 596129.123958238 717034.814548938 751673.077435621 765014.778027601 840489.885200493 841000.254197155 993735.346557696 741180.620077663 731852.627358128 887524.454027638 847226.762633297 850723.420551428 833370.28413955 981452.585494981 566004.673391937 853380.265013507 807195.010542866 874644.237807117 846644.798406954 826745.444032138 792619.728274218 806934.774188966 806467.190205092 7852.433274 6402.547274 6326.916734 6681.578447 6864.126585 7106.192882 7164.56217 6083.799194 4942.333212 842785.557896168 855763.904802758 910737.399990783 852107.542979499 851008.759257534 787364.336290359 805989.750169339 822479.449611258 900508.039614159 854562.964738144 799502.873574782 1178902.52276553 1133238.57738689 754000.506521915 738896.453834663 550018.601822671 724441.519817796 656051.766438925 518717.264910665 niacinamide 4950693.69719461 4596524.78439989 4239838.00931897 3906286.92680051 4089211.65567476 4927966.9918641 4341904.67531761 5609799.08188875 4587340.61535473 4448415.89414412 4310287.4082221 5061210.39687712 6654115.03230813 5248956.21075017 4727076.33645111 4781016.70906786 5961790.5881667 4605947.70033746 6856750.2355341 7007014.74243457 6265184.55145711 9547751.82068886 6065649.71812342 5052473.67140502 5414760.76766484 6697717.72158249 8190595.91025867 9538821.15415482 5327464.28426374 9490860.70054948 5606932.89219288 6510073.19395487 6459336.4704339 6906127.76605006 8221084.15645085 7459562.62738763 6938819.09861005 6319545.65258602 6630060.88073481 7026671.17302859 5432502.69371175 4918622.78761014 6219264.51290749 4241849.13715428 9029043.35662046 4577736.03987801 4879372.06697406 4922951.4681819 5799206.33533959 9804840.36610536 6278818.34862514 5858511.12461825 5528955.93182112 5592613.82242628 5582606.66468685 5734877.7484369 5690541.84738447 5775982.34659039 nan 31800.48229 46359.09601 7192.699088 7238.127608 36849.82054 12441.29935 nan nan 45679787.0350666 42514938.2877379 41088403.8182073 39039974.3105433 39604079.1844231 41799563.6908482 43108039.2081495 6341427.12813072 5542756.99562367 5466725.77669757 5603797.77238751 4045538.80569598 4032996.81109701 8106829.83800635 7694272.6089275 5034907.50250597 6486967.04543813 6067616.4680623 3471684.64102132 pyroglutamate 136762.058367589 152677.453747452 201642.903621145 200718.063860955 151815.115556049 166622.929957543 199886.094984466 155678.79694453 188151.519981591 169839.121575449 144381.806368965 190824.922995546 158201.945168868 150893.29037803 169003.117745277 167521.756811969 176395.692409061 127558.178036933 223021.438355389 145680.493476801 161228.001843184 163241.843993238 218076.92954471 154591.142273104 160377.924732167 164570.31472376 171718.285077667 172074.272947439 146362.499379753 167223.013198853 138742.648068525 107706.274488294 182547.919440514 140385.564745181 157262.750094363 181182.91196724 172707.259606072 170493.340902032 178478.739687712 193667.525168272 158167.771603868 156577.242210144 185925.13811454 145302.751787796 155850.149187714 142323.442205009 211019.73298601 195583.596876258 165795.673148879 224357.791078283 52134.0728311054 32443.8281942725 55194.4154549311 78672.7956836045 74784.1915362943 55475.5072079973 70006.7221779208 62885.9346675903 nan nan nan nan nan nan nan nan nan 1564284.03072391 1403553.52658512 1243344.40374993 1158604.44037408 1147890.33692842 1186736.09153786 1288157.96430916 56143.3624089633 44616.1145855455 100360.313721838 83774.988296067 73487.3983550757 68825.9677121205 193816.880944628 169921.102650329 180295.235046262 174600.956885351 162853.046234989 189956.30189843 creatine 32236939.2119944 27045833.5252011 27767710.7360059 27942144.8393533 30155627.4245775 26908156.6943227 30657489.917588 30043128.1137761 30732204.8831382 33180478.0509542 27861427.3578686 26620916.705457 27156856.9568805 27693107.5746914 27754068.5860636 27671029.1500826 27378342.513667 26254647.4853145 27598585.7356951 25190663.7278116 25974629.3925552 28012236.9378647 25637103.6520219 28084106.4956541 28388993.7151178 25709525.0566043 27429153.260967 26204938.735927 26311678.2682971 24948999.4928893 28479243.879862 29718030.6085162 30121744.7545984 26246583.3875156 27631686.1285308 25096232.9679323 28642259.618139 26804436.2626491 28376088.7675089 28220740.111738 27822211.5843356 25027782.8911991 26674725.0807237 24961589.7533674 25609153.9265853 29790718.1163704 26694466.4624425 25343894.3993155 27007361.0535057 25842550.8906862 27780375.7396856 28207964.9851764 27623959.1512539 28092384.766097 28100334.5838098 28374274.1082698 27285279.4196851 27457715.1457548 86902.46855 62721.73531 308682.77 313725.4412 57282.15988 56546.79089 68696.41252 259114.4597 255042.1838 40587079.1683957 40689116.0149861 39644942.3002355 39952888.0095394 39883479.9689752 40408104.7623784 38452712.8289706 27814925.8818223 27540864.1852553 28090570.1457075 27898884.2665386 36047934.6752476 36304980.2753248 47976042.110805 47895194.6614634 48621071.874204 42708714.1754427 43030212.8792085 42403146.0670994 Isoleucine 170780.630061766 135011.132525964 158517.640766874 135908.316479643 172445.456130151 184664.207229038 157892.211728338 148072.867266533 133856.719266393 124265.864981881 136548.006231983 135331.877206733 195081.476184456 190761.156907452 159608.065156879 198344.66443632 142789.458967496 115817.442938151 178885.367590433 140776.529697082 139445.966177426 131236.725434106 121151.958524414 135569.854912144 116569.031414611 148705.061419495 161146.627331086 134767.274532286 139540.024648094 146739.761903869 116198.852724709 134149.461393878 133976.1757645 135776.445811669 115538.204524418 143762.535168293 111136.928706487 119877.943545528 123539.499506263 126293.556852484 132920.285736919 117551.22121882 177590.320192762 152904.847120724 133197.137357552 162265.296965554 173015.042878158 127225.501329513 143581.121804915 174233.289200291 176142.759212736 175849.584895615 162460.697255031 173123.160578674 167054.67907145 168221.62758545 168268.963937905 169183.781207894 2338.297072 2791.774516 2468.75227 968.2415952 nan nan nan nan nan 158009.797293547 148919.128554155 153398.311299923 141049.36156983 140136.677054432 147275.44034265 141636.600275957 182623.203955175 174486.287156652 166557.695729823 146916.258826823 116933.17390782 117624.419683218 130809.062813079 130333.96176939 115331.351416924 98873.9242447001 102409.084335777 99239.6030952788 leucine+ isoleucine 659204.202471461 553144.388658961 645379.070471644 556077.698656443 669129.122895432 713153.586894246 562070.122394342 599531.800300855 621161.14721412 519371.533482091 656957.141414503 562013.633290623 816263.918870357 785099.594169192 656545.152381295 826845.33584437 632954.108106251 544561.427424354 793648.328693115 666642.572535342 552291.550143567 538611.487981493 473932.852180129 578162.307996217 551642.581208137 614639.78288106 695383.828445319 570818.104577433 617187.831839415 629206.143738522 570241.559180978 564169.038578874 512944.946457457 602210.780787163 475691.139581366 589756.646924597 486646.765552338 519410.011480106 575959.156341532 514493.507078455 612478.609539617 534797.623824008 755573.715313431 669000.830478676 599230.359436019 749222.591303961 662881.632944178 541327.088309497 639067.827649744 649172.324595378 614283.959406615 596208.747976398 648639.315153528 644764.769079211 650169.25161883 602834.508408055 615364.436628368 615294.525332609 6787.696921 7437.999584 5428.109793 3236.668367 6353.721031 4100.075361 4554.653294 2054.735642 2921.722229 550589.612404606 562099.227762557 583962.659257967 587915.303113227 580852.371421985 569058.03634469 582036.238980372 606361.701871243 653791.908089117 636154.317948736 586467.701354917 369650.659651155 345387.746520422 594451.503619619 597377.316105757 553966.686142124 464125.916527451 467994.742818905 473638.734281961 leucine 452053.797528725 371569.646305502 448818.046141656 411682.742780446 474879.093931004 487625.534034572 378537.269955944 413926.629543856 462684.544817699 351790.827430159 472070.491027271 382112.655113774 572085.453047878 545314.22213004 451467.970916303 566000.016955425 461425.566041182 382694.283944633 553175.427839638 484287.251633021 369717.252530253 370737.206601527 322085.714948055 406690.144691314 388299.349598383 406138.039894385 481713.478288944 389271.087634892 426474.824162209 431846.461438881 433746.973121939 372981.600995173 348916.448197122 439371.196168037 326607.064743391 394671.818081871 329656.108495744 367087.230350739 435940.096495489 382522.606161662 437109.747035475 372978.272235172 520381.730745083 458805.171010981 448003.568257394 535364.491314629 444725.904006652 370582.324675458 446554.175886645 435053.100175888 417566.784387389 396030.104631309 440765.077214326 431212.107932127 433975.398771196 399800.487992431 392818.501468563 403357.517329694 3383.221179 3050.116216 2339.665274 1591.057853 nan nan nan nan nan 370818.36330241 410684.241667716 433394.876324298 440228.731961813 400494.436868475 414951.487645639 420869.290448117 409611.262463673 439321.575687705 425870.915348034 383523.7215 260688.460742348 244675.184308243 427353.7298692 432484.395294569 383780.850090906 329257.694395335 339176.565896563 321376.971113358 hypoxanthine 3731685.12545095 717910.780425665 645228.918583714 477214.541390054 937877.58331666 674760.191504293 1037276.60947795 1596918.52489718 269999.484983058 1098329.19298306 358930928.333785 430742.778838897 1470457.87508174 2079003.9408126 764688.656047824 894064.517604775 834563.129246091 1453520.17215153 635624.223550681 722708.25261037 538626.707680599 1555427.05449099 606043.939880454 491505.62576569 459463.574757236 888275.161448724 889579.491989285 872535.615865721 474207.180249833 596053.425520798 939992.751813137 1080187.66533939 719547.937933019 593852.447890152 831650.240184554 571944.393213979 829751.075760812 627414.350867408 534085.259909113 764853.159840759 1248259.62412199 225644.257768168 949648.04383495 350563.085255098 1473376.38458264 2283208.1197503 255590.521719116 321266.628652174 848169.457495453 986303.396351164 1127607.47992281 1121563.1263698 1106297.32689818 1119063.99322641 1134487.23553362 1143612.0695223 1126162.31772071 1178792.0424226 7485.135637 6346.735472 7166.026847 1960.230072 9710.509604 7757.697847 14175.20228 10182.04447 12349.57461 13343067.3312624 13128568.3995665 13312417.5337622 12940291.1235941 13327916.4576907 13244722.0017546 12898357.6208277 1143676.65020645 1134137.65156477 1194091.89157207 1158260.78256171 5598587.66789537 6069692.65475885 4107432.49785355 5469075.18298559 4843690.13040616 2023373.91096009 3238149.2494123 3158523.37810264 spermidine 316247.77667949 255899.501018165 368204.129329266 367462.42852159 308551.601384074 280844.834276577 391322.476195681 425800.945772017 377579.278233546 315019.764946373 293856.863142937 382759.056864596 310367.074828715 376804.755443456 413329.74165205 377731.772457015 365478.554230903 180784.217398618 453392.285613593 339449.234367868 382297.313764125 344391.024196581 410282.937397015 388181.920563849 443448.64838621 439635.943914899 459061.77095718 393915.088280539 368218.323748846 431578.371106638 383622.988331419 354300.776779461 412697.525011934 317120.866367257 485851.685464502 481182.04257871 441221.79460963 398574.582269497 377370.407870673 395802.540580056 441176.211026179 319768.21132771 439189.569175863 487948.965381805 367109.997761532 375408.269826211 424811.862414743 436792.797460129 421072.170226197 440088.42530022 80290.5026988737 73986.8220504091 68414.4858318096 70482.0271629103 72791.3785851472 75452.3288068511 71701.0840780993 73802.107959275 nan nan nan nan nan nan nan nan nan 38991.1622027339 40041.2517046414 39912.6755717643 37147.0659374492 36229.6761491734 38807.5393619937 37014.8778943494 74983.9477217876 70736.9792495425 67886.3719799919 70774.9121604957 68462.146022612 67172.057879528 118198.050789981 116399.551840172 91428.2796977827 201733.877669451 193450.203698147 125271.388170805 glutamine 733284.244911901 780950.112360657 720381.996567986 691739.692645868 699868.297973207 657390.778296148 800459.882497165 725385.710171423 702695.31058963 771700.497914652 740680.728775562 687560.169339106 751338.917436162 793479.360099101 665314.315679106 678915.275321736 693646.632804648 820681.533560287 735152.407400534 653228.980825314 596172.776454509 683957.262247934 689538.640166865 737080.392349948 673676.194133462 723538.119309667 699237.834831279 666707.280523482 656814.86753057 642213.44699284 719928.672177567 829697.483590432 688624.322510634 734232.19154675 603346.935812426 650423.22358637 707996.249073285 733341.710361283 765345.284058166 687054.629668045 618774.885002919 572928.472414482 713309.238533143 649415.369075187 712859.457632592 684775.727395271 612825.509928278 597682.767968893 700615.610254794 783867.790594449 549178.694392375 563708.44941859 586760.702299545 554891.966082901 565780.758508356 571915.586353205 565818.442273141 594425.680965665 5576.462177 3569.239124 7019.637566 11492.65212 1589.40377 829.893406 1347.550027 6845.141649 6429.434469 852431.18505456 875686.579597602 878392.804428488 858637.514907858 861036.995300136 912928.798731784 954884.406149227 572155.0174376 574100.303557576 564428.31469508 576590.09907359 73622.9934201025 81997.6199278619 644734.396747781 661802.323600759 724975.100131986 699151.78423658 710367.306562292 834489.620396304 lysine 17103.068836735 29677.8682963025 24888.2542482083 24260.4984193429 32351.6541603934 33045.7277369905 20289.3411820607 20499.3248062845 20431.9552171844 22929.8757421861 23860.0221921596 19480.13994378 31000.9958990926 21933.3671894292 29230.691935322 28445.4639059826 29886.8592602046 17864.3554755187 24171.843994004 23614.6582601216 19911.0278833892 29772.9040417495 23255.6115878641 20143.6452087689 22413.025730934 29596.8081384445 27821.7228841251 25307.5182563749 23464.7715449803 22615.4685114965 19776.7313900229 20983.9539602309 17904.6569319868 24170.920508144 17904.0112504362 22033.1906619891 19167.237824874 20497.3994348102 20399.519644313 21014.9044780914 19867.7882116232 24370.2182551236 27858.9862783054 28442.3778897784 26683.4712286406 30040.041500205 33990.5104170866 30160.0976078415 26681.7856523797 29191.6528523897 20433.212652245 22374.6110674555 22395.7210488675 24313.4652667063 19580.1641181254 21836.8751194391 21072.7160990737 22963.6556708472 nan nan nan nan nan nan nan nan nan 18257.6537957697 17839.2550057427 17895.4047532635 19106.9338317608 16880.3702517691 16347.9176594524 17132.7136767618 23744.7181587322 22083.1559359606 19735.0813616333 18858.744684862 28760.6984264606 30916.967141843 15982.2101038215 20211.3175675036 16999.4186959978 18421.9317137891 19434.3683213613 19298.1756147769 methionine 162569.306333759 144440.760859794 171676.155132754 195528.096457482 193035.020561712 191221.589787916 158722.028491482 153908.529411682 187574.151378811 179547.740141541 131296.104178673 154048.545823343 139312.637699319 134050.717213167 167088.582886277 187985.590436567 168965.874776695 159019.567359957 176409.605813955 188015.015114892 137628.422738484 187817.04130447 147061.897180687 168905.494476571 160786.365398317 182128.879018117 185562.112220556 150495.085050022 168491.167089218 147466.695806409 168958.653582495 162085.184511765 187756.766348914 140311.877606532 173794.27017526 154285.048080955 163061.585053667 141423.913264986 134262.158687243 151044.101246187 126793.413072393 112841.413664489 151066.670075322 137328.314445313 113061.980973295 156519.16398993 160116.018468408 124374.667271158 150977.689339379 113179.74321199 187214.67353297 187169.311868791 192397.365271597 185524.144840575 179480.274102768 189907.282981932 186739.145727647 189262.073419967 nan nan nan nan nan nan nan nan nan 91138.1124796876 90441.0192970358 91617.3162171316 82540.8722929421 83401.233991228 79884.2318990062 84734.0050693075 179077.854363743 184965.256649674 185753.541870204 179579.823214048 208288.851168471 194716.537451733 146851.325675011 144104.090820493 124238.738576971 124492.418767723 114835.168469645 102768.01445306 guanine 508284.988879444 416115.215680503 181336.199008761 237285.843914864 328973.224605391 363354.52117404 482231.418797168 375480.905803254 243015.148726353 408425.760749653 274679.726439151 234479.010437811 392634.409369163 386876.529018017 326848.012810786 391141.269234926 295693.948986684 362698.464434623 416139.109412373 321785.319481545 421939.433303668 471016.72406749 422890.725157722 373893.848067851 353853.656765709 362396.092266281 440629.862487466 535626.499732363 367253.819463922 269817.77669308 416525.993728074 403646.668084353 429502.716894506 378249.531841061 321204.440734147 382099.283628514 365823.745828218 437443.75714462 294864.56555781 228611.639189263 286125.464441489 206522.423876313 163950.902426966 206490.433629107 264605.083985311 349422.256782022 242717.068774283 232387.09875965 227453.556398268 233165.144292928 317576.654897147 299545.019915448 300578.950126778 332619.208490466 335515.042570352 355631.88946542 348224.382840597 333126.008711256 5446.60867 5565.992174 6803.098881 8440.411808 2528.208602 5909.683344 4691.841047 6458.964488 5900.258787 1414783.11091182 1296640.98183445 1332311.64786756 1327294.85960157 1380448.65443576 1441343.92175006 1450919.3460746 325669.21627957 306181.866279625 326130.73514228 361150.581023429 43413.4605274859 59036.8333285871 472906.476245518 450270.862389811 463148.284929198 411751.088844408 406543.051178908 418318.075313599 carnitine 3532552.36117037 3626185.00494188 3577365.2760654 4113805.63168412 3800278.02056561 3720081.46938362 3507210.3010842 3651829.69346925 3913744.03682863 3581029.49771699 2996244.07577579 3478791.3152173 4118417.0586255 2969953.39496389 3966200.83630295 3598884.73602657 3937214.34924249 2520459.14177653 3283292.75657016 3318086.87536274 3735430.51786026 3738410.06024053 3992084.35487078 3876225.04021618 4128514.7291849 3411338.61562955 3051659.00641597 3677203.92257664 3502698.26215677 3518518.67168553 3919736.5507591 3620550.72443071 3871687.5491986 3825754.57561209 3959205.66302271 4207530.79889682 4029066.13255363 4331285.78881101 4095712.24122173 4651453.7903466 3455255.10623136 3750480.70088015 3585078.83177213 3643221.30298842 3895250.73501986 3351085.96033253 3948029.26022907 3884074.85278792 3528417.24544383 3690448.36562765 3617001.08042966 3463288.18275389 3473671.76526815 3446809.08737696 3563896.62272409 3497935.44601671 3452098.4429743 3441990.36973729 nan nan nan nan 84452.3547 83745.83608 96156.29561 378177.4491 375122.2311 5178415.96597861 5112427.23107195 5174606.55181535 5039619.82190192 4836552.54351907 4986463.5613389 4747197.87105396 3551977.3826603 3409932.17401614 3416560.2655972 3464765.46682105 2230780.55189152 2255499.49456682 3716263.17660145 3775023.47421809 3465838.33575011 3274542.34447389 3159399.36808141 2857081.40911408 phenylalanine 893201.340646755 819083.643506743 910789.603802991 882510.617386272 930558.584218888 1073551.32977788 832354.172328203 831566.83470582 771315.566416611 755560.498358779 822983.282471872 764662.625017482 967032.282929905 874214.335008331 830478.620084153 1068919.9772976 864023.099022528 701463.448881976 974975.487571424 932471.524265282 812026.28336934 822668.021285722 815032.530232609 781675.759957153 823870.496483256 897593.324502062 920907.35509713 904471.567388576 915211.235686651 956352.205808284 787866.570151935 813044.235124962 844623.763733181 874465.645329371 755976.534234078 918324.169099053 791660.022800188 813080.671054214 811329.20757466 860919.992085666 883767.246841372 785668.878892774 984029.781965831 920735.334627327 806745.39253813 927639.795051201 902509.758794787 774795.499132682 891714.634697734 840031.620571294 860683.513519738 863500.819955233 819182.502273863 877395.123657044 839620.918428654 836728.481210025 837617.075467337 832935.448199829 nan nan nan nan nan nan nan nan nan 842709.23201313 808337.354928464 831852.906804749 838478.454378994 822708.899874643 810943.288397896 778710.384940531 859424.648978285 853002.230806955 884815.053580041 822604.151063717 730721.524331733 753389.470166671 763621.224000109 770185.381269237 755768.070826566 720988.464838846 709762.717364803 667664.340873184 urate 776004.48408944 452873.578267742 751722.609389474 325065.067137451 395910.587176083 1148331.18469198 404952.397338188 481514.67776838 248753.791768084 312827.023308029 381516986.206579 646739.485170089 987295.239070983 1242237.34987527 617281.567076797 834649.546714013 712519.540445482 1046818.31598703 779924.070404753 895954.537882263 363538.232968314 427099.994520885 570575.140449361 401662.906631133 295948.124709376 610451.617120744 1015750.87292025 738956.700559283 763118.757347491 1290872.47009049 462292.464651765 326688.072296844 494642.62709348 231286.865549674 317082.501379844 633804.17124953 644794.802062497 447899.635634381 476034.617560709 453019.87274864 1693233.2712649 1096064.67044703 877742.034956927 887501.706178461 1000060.402771 1172086.8724746 877245.095161663 543836.411123474 873234.564340955 443595.8753935 594453.539684555 600411.678902382 633506.932686175 636869.482827144 651564.410806946 620462.834782923 622794.89680567 653645.629925485 nan nan 4444.523332 2293.73643 nan nan nan nan nan 283889.407629466 284072.733510266 297864.310524855 278199.972622043 278080.516497214 272033.812022365 264229.224606868 588777.729679168 642565.376008806 672691.344974409 609730.900157207 185063.879953237 200746.908395403 600510.095020902 778047.237226347 640880.665533836 175396.487991719 279055.318334186 262457.354023549 pyridoxamine 16140.2355406821 17620.0188523264 18396.6234698321 15663.4439308154 20957.1082199775 20275.6115603783 17387.7136716364 13422.1208270965 13472.4173695923 16046.951276246 10795921.4548421 12207.6277313038 20557.0553631362 22072.1795838216 16889.8012209921 20097.8659903747 18943.7642225893 15137.4338813611 16771.6052158694 14256.0783390362 12576.2510338356 18753.0415403968 12865.9219008635 12863.3738082053 17397.7985762706 16605.7374083273 17922.2293459301 12515.2971561502 15206.5436134212 18476.1481057187 14688.8420101755 14245.7817801428 14549.7708892629 12376.2560555232 12129.7420450264 11164.1456540672 14420.6240307008 12893.1058523113 12988.3838114172 16095.6767714291 27868.4959131925 17122.2010851285 15972.4694083255 16382.9429511217 19793.2488162087 19707.891332746 19371.3116995077 16987.5021828011 20205.9683553843 19282.4059336956 18655.0839272063 19026.4551650559 18332.5954943047 17734.0519202563 19375.6564294029 18786.8918085862 18236.4799847121 19598.4740701973 9265.018827 9179.578905 10605.32676 4794.721772 nan nan nan nan nan 16332.4932208895 10947.699990131 13651.6077494159 14597.8719623861 13621.0366944521 13229.4112210682 13436.5483766239 18314.2154392864 18464.6705194109 17247.7005728953 18756.4393282746 6643.25819895401 9479.10549593918 14251.7062088037 20472.8367848288 13932.6311507506 11141.6953737798 16109.6017770987 15450.8286193157 glucose 39309.7709755913 33385.366911729 51133.4235977887 44369.1559921707 44707.9970738191 42570.6620445889 46453.3736258952 41678.049410735 50987.7186134355 57428.357670762 18551013.6250349 37084.4596135311 48702.1684114915 52272.3456611506 39772.6829260785 40607.8534034494 42161.1686426029 32470.5374194197 25676.6774576478 26464.7475116538 42066.0242723285 40354.4366893187 44049.2130026573 46711.7749789046 40320.3627637543 27789.6908787681 32872.4723038823 29643.7998975544 37698.3040648364 41321.8085547179 39256.4545040986 31954.2854311634 44691.4785853535 30753.2229740322 46459.1693820579 36589.830847383 36154.016630764 42442.0084207922 39987.6580202055 49759.605163172 42489.8925516998 48495.0991002468 24393.7857638179 38262.9935461997 28345.2603261413 40931.0682565809 39927.0172843912 28815.3714360804 32247.4767498553 25606.6311096793 55157.3653773923 50616.3059566069 50469.0843745147 53163.2739576828 55572.8533463484 47814.9057457365 53058.5152233298 52866.1949072177 nan nan nan nan nan nan nan nan nan 35163.8980463287 31805.3429316684 34636.9116825023 30608.9676672866 29380.4006992157 27352.2972801028 27836.9842838978 55926.2521287225 52477.2944246206 55624.5216366238 53300.070262134 11581.4651924739 13227.1472214066 28681.8943372648 38555.2025474886 23571.0694715825 23745.4909686055 37725.6098670856 27857.88699003 FA(9:0-COOH) 27642.5220725721 30296.3430314586 23168.9401553352 29397.4707108329 18233.5694320029 17014.4148914705 27155.5539044171 34939.3282120017 24018.7124321607 24811.3233469289 21539.6462879466 36332.7871493705 22518.2703199086 25620.9846185305 24461.3000811972 20615.2029232585 27077.6418753852 25032.8599134715 32271.4584669939 29081.8848751399 33710.9237898303 22035.1322050879 24928.912746641 24030.6951074579 21241.528300212 19773.4124063645 26609.1501870974 19105.3127977888 22892.9758235594 27898.5904637351 22425.2806186181 25360.2116777476 25038.1228416299 22463.1577331325 24942.1648014841 24571.4882001941 24121.7992933574 24374.2116371911 28663.8505623098 35045.7006258958 22850.3908798876 24980.7606215967 32912.8556718827 29701.3754597478 27690.1805166335 34538.1671023041 35196.9767780416 33529.8583733369 26441.6630475305 35619.1706224643 43615.792111253 51789.4699577169 49360.4956287502 49160.9189851539 48048.3794318228 49607.1069035633 43273.8517528346 44761.8161862299 28206.09767 24590.60941 29199.94852 21655.00618 26555.95062 20024.48698 22209.77619 25515.68147 23199.43413 72259.5647874864 104068.697238308 97048.0051736374 88830.7482845993 93286.3482874893 90890.3938794424 91135.1343559062 45157.7532344498 50859.0266652503 50042.8026226868 42780.5010754442 26050.838352416 24963.8404322859 27505.386108051 27324.6945102915 28565.5543237376 25488.1777163551 24565.2981002584 23840.1564997641 3-indolepropionate 81154.5126320185 100399.498961326 80304.8594819313 97622.559515974 128466.31885758 153307.899324415 94802.4003854457 71872.0620389196 70557.4355206303 75727.0903714282 67623.6012801035 63790.4444559376 58391.3804531714 78249.6550000445 66652.8776549103 93599.9856599467 65820.6818993369 74750.7857014578 98735.6507777523 78154.5151299517 77208.4101748486 79840.6598606742 51323.5794827174 73924.8777561793 80878.3907435943 74543.772336607 81165.1377248046 77606.3663127864 58059.488952502 75261.3976486842 78085.221888657 73322.0605446322 85050.8413500081 76170.0376941285 78419.3906779914 96545.5730123367 91487.800362708 73354.5292764712 110059.985668074 81550.7541299427 100946.49397785 85639.1776664471 88035.90146396 95706.3493588345 73089.482657676 111941.870961412 102212.492409911 90258.7930211059 85931.3201979946 90624.0726149546 87659.1271713675 78126.4952778699 78125.2256582063 78235.5368278863 78892.9276602038 78598.7863271634 81260.9523988098 75085.153748489 nan nan nan nan nan nan nan nan nan 105756.387909524 97558.4880686906 86771.6262207884 91208.9705341235 89735.9563442069 88361.6724203097 95587.517431643 88450.1333532296 77418.6499446399 72851.6408986126 74775.4888257349 20927.6257640849 19396.4387524231 86954.7978179051 82686.5675214048 74681.777332861 75138.7433047797 75435.2286463349 67508.9261214707 citrate 103997.641210617 73220.7366402173 137927.985071688 131036.503354723 68706.4012163997 127511.649176929 185852.263687063 137403.855224667 186935.793535664 131900.266004269 156936.878397589 179139.760561817 196224.294524992 187786.299102301 189338.445921799 113993.07402235 140615.908163715 132005.080853206 212663.025756405 155775.417199684 176789.569298132 162315.433267777 224037.743295655 194179.249650086 170824.547355409 145687.95009825 228366.74764249 160795.063871661 166286.010197621 281784.67312501 165455.20097128 84298.7032686102 174184.041697226 117010.243464197 361819.461193855 195797.31382622 212245.927251422 193337.415618276 195042.609123879 172131.699768347 306295.158453309 213014.227996753 295465.001573747 231174.815581621 207080.18883329 129318.185925248 193587.116571656 212964.145149304 251977.350969152 136207.977702743 148434.808574842 153403.857527848 147213.393959044 142366.111536889 149312.485061383 149725.466682435 153583.793769928 156610.522140178 nan nan nan nan nan nan nan nan nan 443038.198220377 407875.546270971 358047.98886019 324643.740723238 343485.465028903 355678.838026381 365580.965100706 149511.672109704 148683.662610623 150133.882020546 155424.161573857 64650.9447067471 66715.5290248448 226076.139230515 214667.739758909 188170.510555962 151057.04379119 153611.831790383 138318.264387475 3-hydroxyphenyl-valerate 52830.3042501949 67159.3368930527 65471.6287408727 57398.496748122 62609.3592689197 59832.7913478368 54911.1583710541 58940.0843170154 58333.8523553406 50779.5032758388 64849.2008694943 54988.1339384625 57129.9493377427 54513.1672188044 59681.89371567 54508.0057878413 65300.6168570713 62719.5002040226 61627.8677716579 63984.8607742403 56094.9585625823 57298.497681633 51783.3069520741 44942.5373616637 59703.8335633616 52262.3603963755 55767.5964661876 54107.6888681369 42148.0167307586 50447.3678381838 53083.1282034444 52113.4625126432 60010.7912583115 63383.4618992871 42092.256733065 36647.7026796142 52993.382776221 46486.6588379567 52938.7822387923 69598.6348089477 42095.3347875821 55034.5930006857 51867.0761111083 62469.6453206767 46814.1660603272 51858.6265803113 53455.0282424084 61981.7734451603 51789.0318002401 46963.9205209244 53074.051122761 51832.9057040278 64359.1999802235 49905.3630491257 49069.4739048901 55659.9924455797 44011.5579796985 52823.9403700388 80393.97727 90378.70513 46923.58954 49977.32563 88285.20493 96783.12447 94448.11474 54732.71693 51523.7778 56669.9630356491 67182.8586002072 59486.0892106404 50540.6273950538 37366.8720803549 45681.0146633395 63113.6603967813 52809.3867190058 57891.1178394732 53577.2504904741 58320.5278506726 40767.4187630375 42003.0275705473 30098.3616840662 48351.2742063067 63855.4151212729 31913.5351103622 28432.7646459859 41779.1108843241 spermine 285634.042370267 386113.951808189 1958980.64353849 1259822.63968418 840584.507070137 306214.131899198 495679.453993747 989430.581874011 1590115.16564875 1073474.80995907 383659.085163291 1081038.41609673 320502.973848893 1000521.5120666 1242970.00222304 753878.974304283 1763534.49684658 140245.101782344 1694747.56510363 599397.349834828 1287032.64505866 732041.343459443 1240763.98338044 1275140.6554461 1471166.47080489 1668531.68053248 676919.803492482 908804.677432581 416333.812973116 1431707.86758235 1260110.64582535 609249.865071649 880300.780870417 876250.031326969 1778216.64251625 1166289.1164006 1511939.8901383 1684904.62674946 1458350.39339625 1207086.84194677 1965191.94894533 740689.633206245 1754880.77829097 1768438.01066721 1711605.57709914 1231495.2974129 1796447.98549402 1643778.68521442 1534202.67874831 1513604.28980133 85066.1287775454 79633.5015828061 76749.5221370158 78501.9273999114 82818.1279704829 79319.4287291664 77039.0041451616 76850.1903411659 nan nan nan nan nan nan nan nan nan 48275.3693890664 59356.9838811695 47266.1584776287 54943.6141532699 63648.9656464658 60248.6155327411 50109.7423702394 78801.929599432 72406.3348061548 77277.8262578544 82003.0981880604 234119.628210679 229818.507314346 31194.9101165474 32544.8438569965 29275.1339945872 105737.533925244 87783.6731945243 40075.777327103 Car(2:0) 34416271.9015325 28348759.7523996 24908205.9199753 27375660.481709 34828470.4563867 28295187.4647503 32377048.804267 30551446.835678 29106339.1345913 31208362.2880891 27884032.2036704 16312390.0547368 20654151.3958462 20154915.8127191 25532195.2100394 33568639.8841265 20152950.2036321 23024012.1298177 17387243.9507582 20417672.0808666 21311921.5434097 28432656.8679827 19085512.372204 24879441.282846 24210785.7985134 20242230.8186024 27401370.8534443 22672805.3998651 24815599.5492885 11144382.5199702 27326598.1290886 37364186.2136211 33175943.0505472 20461632.3374482 23906524.7298808 15728406.3192239 28218871.1141384 19397838.0104857 27541974.181581 24495680.1479447 26410999.6561856 14217703.3675977 18902837.6663243 11119788.408586 15685972.0862462 27551575.3129189 14703007.9818087 12487088.242715 20410955.659894 11776199.3439643 25894856.0677993 26199059.3342362 25296339.6865577 25717986.6920187 25954704.6825455 25455676.5584023 25920888.0554296 24972057.8461714 1511.557526 1547.977601 5126.115901 27564.11421 2731.784536 4783.691293 5300.650344 6891.90969 7068.211422 32075042.0662425 31012357.6577062 31709658.9814699 31699054.6570003 27169717.4413032 31175170.7868324 31433493.3526749 26002904.6908666 26253598.0731243 24764769.3409585 25332573.7357143 30451832.0049551 28968804.2554016 52522068.7589223 51444841.2920252 58196901.0714758 46690688.6786341 48107501.1563511 52405815.5059496 tryptophan 730181.605921177 617624.033812733 791493.964605305 716468.353566687 771973.519435721 887296.957551401 749349.471346641 784174.314130816 742466.92358531 593327.934816509 642908.36307217 794225.402876727 820453.149031877 906885.724898458 758249.849779943 887805.063454453 736559.723725722 565480.495841367 879727.338061633 843675.953650256 829791.146928581 814740.534262341 632920.213287568 732793.722148538 769496.485581883 804071.435020125 840344.528962452 719603.389269681 833016.591312161 773676.948662066 724896.520119023 696541.925037337 671000.043523192 662534.378691295 743303.457162444 767257.214551323 654615.734762946 720618.222811183 679549.669998706 795688.060274606 744165.304696967 727502.568014485 937857.630222285 913112.168177691 727823.907976956 953365.792264638 841431.036700568 826804.018281241 858011.487304365 881862.172597819 944379.725803373 900200.680658568 941568.667649746 968009.950360905 968915.616487834 945088.963755236 977935.853539545 915949.902100545 nan nan nan nan nan nan nan nan nan 852405.457592587 852201.431741469 854879.721735126 813103.081677103 826182.189967982 840453.573180561 844506.316486976 886797.785886436 960851.038936289 992657.508119016 906568.840044213 835578.414342488 838390.47746721 968491.876435626 1046713.86695497 992096.755867008 721856.378280593 719370.190949287 741290.222390307 kynurenine 14891.7072679398 12287.7422412997 8490.19181717132 7774.27579578099 9711.37479564626 8090.65313909423 12384.3293332102 15551.5555045411 17034.4095666866 13996.2050367162 14337.5285746418 9957.56732760845 6940.71507825067 12547.1282952522 10582.0081347949 11781.5306456313 7219.27266038441 7325.05279791694 14163.5537298888 17785.192196911 5296.14670464611 7863.3463339322 10596.1773466927 11562.3600433202 10936.9095724745 12231.4423628006 12474.2552412826 19226.8058475889 20027.2342013114 13853.5211415799 18961.8531683608 16062.4557158456 109197.536629874 10115.049252257 9651.23351564957 11037.3661052316 9662.00733582887 9954.16917386051 8711.02692102634 8558.03995643635 10344.888283921 11051.6696937197 16167.9008663252 6866.69707766541 9451.41510300416 17588.836488768 14401.1319430419 13280.5513057508 11787.6262901522 9112.77906740534 11457.4665263469 13984.1118028504 10557.6815570554 14730.6147609841 12652.1663515001 10457.6496959024 14038.2071083123 11919.2886229037 nan nan nan nan nan nan nan nan nan 17366.1081672222 19962.5868148666 15310.290838903 13690.2091168559 12897.1862125065 14097.768126725 16169.7420319901 10808.1911222176 13348.5960879419 13658.9601646451 12418.0232795676 73352.8205656759 73997.2971428502 9332.8463393775 9966.57960468351 9568.96864540347 15860.8457489956 16227.3507874868 15060.8427740089 FA(12:0-NH2) 78826.9347840744 216998.052519998 43610.2627213735 400172.221900164 27851.2101135608 111589.26337358 335902.31610693 106485.090117672 63983.9440589639 186387.678351042 65829.9424768687 153708.409941096 79858.5135529913 78810.8681515681 183394.681874507 49487.7095179366 43239.7669390776 54945.0647332816 100208.14343387 87270.4656099958 394418.343683311 75711.2747452645 203154.377328893 187692.380990504 236932.780180826 111957.577739414 201772.240696648 44710.2598925295 109850.522409384 74414.3511844759 59053.9716382123 136790.954226241 108997.457993283 85323.9505424446 100271.598654609 131948.86900093 86716.4138445232 275589.051031824 149002.969952984 22773.613081687 19715.8609419626 91338.0668857562 39979.2307443253 39157.6826923984 72119.5134106683 286085.734329304 66470.064976274 122354.602357269 49906.9923968687 142273.191507836 160824.14830561 174794.831629868 159745.228026601 161005.852978276 160104.580721923 160314.660656959 154483.510398762 166033.595977841 23234.16984 23048.57202 28562.24824 11997.01301 7035.931991 8560.177926 6965.789576 6602.557041 8004.820952 147017.570200132 157354.949966359 163094.310918997 166315.826507505 158825.438513273 167679.814160829 169948.899882597 165646.436916058 159093.536779284 164202.021180623 161471.395226899 287746.969616532 288629.861118316 168254.553249079 158078.027258881 169445.341994148 68509.0183121477 66344.3876665848 62900.2187856599 Car(3:0) 9070427.26808346 4995003.75221631 3937298.73269047 3857058.41906852 5495271.7209294 5111896.02041101 5560514.73548485 6229350.32981254 1765079.18962556 4831840.19562572 3368433.18419416 3208092.22336431 6369032.08975538 6783189.57347426 5009011.77074948 8856959.33643202 3678036.19999726 4718577.87156062 3499103.61342113 3959350.73807434 4008511.95237073 5097707.52737928 3757228.88138487 4412637.13712195 3027855.3536168 3147529.08591092 6363532.02310193 4067247.3110173 3502999.67307488 1912611.00188642 4706524.82415264 6928297.55817426 5298608.23480088 3100425.79248851 3365858.96308836 3741776.62300825 4859887.38162434 3558304.20755004 4658424.83956586 4810323.75867706 5148067.29694111 1769646.98353154 3972630.01082294 1680115.10623258 2738622.80391114 8505249.40825409 2440261.53477308 1904903.29063569 3351933.32417657 2523583.50198962 5163986.0917864 5157849.80799562 5006899.70224135 5127843.59385513 5241211.54177699 5066835.94354428 5211258.91019827 5144432.6313591 4218.721531 3064.481369 3390.336791 3408.983894 3130.320798 nan 4379.744544 3920.4684 4015.994265 7948683.2937777 7523224.64697993 8137737.69097012 7813054.50057546 7993563.44219544 7875871.03314734 8369892.56317224 5271828.9639347 5284318.70677068 4983840.79851772 4999798.32247901 2029984.25092373 1935398.42182522 11393167.4637435 11177733.6174786 11452515.7204004 7611123.1658536 7760718.46193513 7774774.97600779 pantothenate 8199560.22502715 6847990.13101395 9718079.61612008 9858506.72981633 8922772.07647066 10109639.3164947 8728466.35689397 9047868.65713472 10777550.8915872 7962657.56165804 3076046940.83992 4651850.21274325 6493752.92406635 6176988.55136257 6271941.54005175 6471442.74881524 6719229.33005149 3962095.80235139 6389750.72065756 5832608.42337221 8582209.81123822 10127789.2361809 8066120.23776197 9731119.87082925 10910778.2460832 6087659.71719393 6189713.33366695 5768750.04710541 6521448.28245914 6004924.88746475 9691317.8395466 8625521.12106678 9126835.39268679 7387050.01635777 9538837.99190954 8892827.44711582 10944096.284123 7390185.01826949 8776396.27872816 9760543.24786295 6396822.93012143 4077130.4501235 4427206.20311849 5184609.41235304 4177304.8079025 5678759.42199983 4685005.00711267 4241625.13974674 5930044.09946777 5488557.58945138 7520199.36673074 7501740.6675102 7270376.4510682 7313170.77737285 7446627.74975389 7492013.57396839 7509695.45380281 7777706.21321621 nan nan nan nan nan nan nan nan nan 6771054.11797187 7110586.66810159 6450682.979054 6870020.02633725 7173702.06046003 7013401.95310878 6768744.1097381 7682727.77028282 7467938.52547388 7613346.8629647 7468766.15446575 2003762.14543146 2189240.69262059 5976651.12103997 8704716.69336908 7310011.01727698 4856887.52731687 7783835.08267192 7279353.44903493 5-hydroxy-L-tryptophan 16723.02689229 17694.3763754422 17264.3064178571 16787.6799750975 20447.2716407884 16837.362201768 15380.6300377243 16796.7020533349 15270.4495456866 13202.1282527016 10156.0450506699 10946.3142450073 14928.517141327 13776.2478161167 17267.6988038278 21888.2898938137 14185.0533049353 10942.6618477899 17003.3069393143 11671.6763644788 12070.5854550824 10743.908268706 9299.09824727163 10952.4326350261 8789.51094758466 12450.9867045955 10483.0164985527 12209.6673485393 16654.0864843637 14846.6872018112 10231.1536952338 7947.91483298521 8018.72930438485 9272.42623748653 11301.0152667756 8200.07666416667 13579.2074748402 18288.9271031534 14263.5797655925 11113.048919813 13982.431213928 10750.8871822726 19435.9408724592 14074.1443027294 15830.4211590489 13133.9325951477 18602.9906277245 16350.3279120205 19751.499528396 16616.4195667258 17631.2033154516 19568.4957767787 16830.9156048803 16783.9542494918 18120.4991890526 17381.2988523543 18782.7974736029 19357.4199784578 nan nan nan nan nan nan nan nan nan 20281.8964859039 22665.8151805908 20809.8433678759 20405.2881461862 18441.8092611201 19483.9114252896 20120.2239912875 18043.5796831098 17496.4769119111 17557.0843943409 19204.7563009799 15702.2057026589 16922.5338242055 12456.5549383404 12270.2503065403 9304.70119324658 12754.4776265371 13372.7824228285 10295.6707535528 diethylphthalate 13286.4948603749 20945.915030194 15080.0919496847 17771.3028440701 30973.9363101585 14293.7705378986 14473.0829303566 14992.8739606719 12050.743053519 15548.7941486127 9960.67570396869 13391.8550479357 13024.6703358787 36788.1205306208 15532.6923294498 15076.9683223882 19903.1066006884 12668.5661169207 14093.5302993678 23004.5424932356 20385.057786773 11742.5244346145 14965.277115979 12046.8769324482 16757.2202973335 13040.8571840488 19527.0201615839 11578.344957255 13325.7732299514 35236.0283533722 8219.41050616524 14191.7908731535 14529.1140837268 13689.9250613139 8721.67878372915 13338.9225703823 14684.1715975577 11060.0511513961 15689.4970137892 22331.3151385416 8726.20834536907 12392.9540509546 11647.7893723015 11321.3751385316 11146.5505877199 26551.1094215957 17425.8516229132 12582.006592048 16030.0437789408 14135.170777828 56838.0890409555 62674.6909166839 60331.0333906582 61430.5334042469 56853.2708169397 56068.6652257339 57778.395807905 57770.9487133568 14290.55724 13159.2213 18306.52525 10628.22154 nan nan nan nan nan 93947.6032017677 111594.837508637 119759.851947873 123281.254289537 101109.120920393 105060.269312775 119927.292952971 55718.6168673221 63007.6149145109 56028.0134530915 55649.8230700807 18293.6685108428 14325.9811140256 13259.1580268339 17277.3717078993 15874.9145275271 12575.1638157239 13639.1564080201 8578.14789142676 Ile-Pro 49209878.3537762 43989140.6565231 45260644.6722759 45386692.9052647 48083812.7641519 46537617.4362801 47723958.6567473 46852038.857884 51541057.1641537 48950780.778189 42034265.3095361 40276495.5612058 39617330.7193741 40645901.4983419 38250851.7689779 45156784.5062515 42575507.8590834 36062906.183096 39815327.2921633 40103886.5128226 39977445.1683873 43845594.8949617 39597070.1107656 45310062.122862 47719872.1273279 40762503.7062455 44511374.6310117 40792942.1566271 43952452.2955992 36980318.2663639 48397361.953359 51347449.2602505 47899860.8355572 42389974.3196441 42020469.8316256 39072645.0882973 44560822.6897643 42140555.4727217 45348352.6744072 46387222.5169725 42264872.0886121 37292176.3392563 37839918.1090218 37087836.3044146 37822950.9298964 41449120.2798784 36432242.6907471 37485724.4488383 41233457.3657538 37204616.7464096 48836195.5532146 48728574.4514071 50759289.7846567 50772201.7165144 50438886.5537665 49918394.7845293 49714486.0279885 50150611.3574435 5101.123542 3428.673791 30465.78325 36159.88841 5049.857028 6895.847722 5638.684717 24175.04708 23069.55439 67563447.9062663 66232173.2132041 69608659.3016355 69444183.0848581 69136264.013528 70929434.7899748 68458525.5606859 48403447.0538658 50009502.6580679 51041977.5320375 50560572.5490228 111937951.323871 111075428.476383 91775488.3995484 91812158.5384043 99616313.4025391 81080560.5789863 80580286.0278591 86836420.3768943 Leu-Pro 51835303.5833874 49212177.3516918 52796315.4263405 53318739.8635435 54820605.7633684 52204092.1245603 55226992.8929468 53813094.9922423 59563010.593067 55598537.967082 46536549.052777 48357651.9682163 45767659.4894166 44502216.2196415 44697306.9619946 50093045.6097029 50060346.869723 39503410.491791 46406840.4080051 47021990.4397887 47673773.1462567 51299578.6512726 49501118.1652142 52337572.0956576 56385123.026225 47197077.1823255 50739735.9690782 48460356.9337656 51253994.3163733 45608758.579563 56199784.8185697 56352364.3554776 57191843.8862196 49601913.4322727 51921784.5687372 46865807.5825543 52225163.4901478 52278099.3631715 54793968.8808601 54685568.0057035 47925827.2971795 45665325.4799178 43652053.7538674 45614931.4828295 44880167.3599205 46403940.4108934 44963172.8019075 46286254.402894 47599333.4542135 44964767.7201509 42853457.4213145 42838447.0196295 44965963.5662979 45986237.8978358 45575754.9528264 43542015.318022 43010851.2269583 42362284.1966099 9607.04188 8866.362576 19204.16463 34598.24219 7039.503729 8991.955981 8051.293991 18289.17791 18555.52073 56583521.1776114 57093579.5115003 58282175.4691582 60408490.9689313 59970081.111329 60043967.0084224 55281992.5338425 41986476.2995946 44699739.1456369 45630931.1689172 45626652.4027185 76441421.8310278 77539762.2824765 71382041.248167 72590681.5803175 73962101.9511054 66199469.3917893 66022282.9065152 64866067.8842958 Ile-Val 23577.4224569249 21777.9043574695 23183.2996853941 23132.2984086602 23194.5230125325 20723.7506391519 26910.4424612216 27502.3181715549 27697.769910071 24998.6944530726 27791.8922240133 30415.5306761307 31383.1644270559 28966.9089060439 28928.7972889742 30436.9918505821 30581.899871789 24494.2261279612 32072.1857363668 31801.4005916222 25503.0172689414 29483.0649757471 25075.1891328146 25933.9771529931 26354.9688093176 27316.2296731182 35022.496475495 30126.6770481642 30862.0645378281 29546.2244699817 26360.3658003678 26696.3560359584 26722.7589145345 23603.5589431107 26500.7511419367 24505.4977100294 22424.0618167898 24652.6246728392 26174.2454396761 27221.7631948676 26376.1446756663 30852.0465107188 28238.0795347617 28855.1385191629 29285.3649383084 26183.4976821226 31057.4688952554 27614.9129787937 28278.2379599752 28363.8957960801 24646.0630511342 23875.3301097514 25726.5944054346 25646.3642176102 25710.9844907312 26110.3273201759 25692.6370839713 26624.6778915743 nan nan nan nan nan nan nan nan nan 28937.6493629534 803237.981302598 859777.225297104 28772.600404057 26973.0856296736 28467.5144866393 27889.441764645 23628.1675744287 24885.0546022436 23838.138910268 24705.4153906536 18946.2870755389 18035.4128514442 24408.8756919655 25293.2835766144 22098.5706333123 25115.6378625793 25054.8255393859 23372.947034047 Car(3:0, 2-CH3) 405283.893846233 496717.524831504 656898.419520038 621510.196224936 735710.203354365 491094.114877699 785242.183682583 560433.225182409 526329.566071259 669061.572273804 912409.844767529 743063.370205907 588159.26266107 483489.308305725 674362.546058157 818366.398247182 700822.16568306 401536.983199265 902288.734837244 653646.215291702 465904.803724209 549980.513915466 666194.712148751 496695.278881668 595107.313668413 1068983.66577957 764250.574369269 1097259.81360597 1263636.29284786 533146.721491563 674986.509598167 958455.437645234 1210428.32485439 501400.738574594 438878.014196557 678365.510973929 513222.768824679 484711.007576671 706215.538493827 590931.628443371 539419.894037174 550443.542284182 1176249.28771149 882878.673684117 842736.466279062 655600.315268428 760478.904513471 867341.217429744 1016705.68863493 794498.998053674 775799.197382105 785843.050021247 809501.23403987 796755.717332321 818285.907069774 790729.015644862 796918.960825663 808159.85147138 nan nan nan nan nan nan nan nan nan 1720533.12278489 1492368.65288925 1853823.92596972 1579522.18638068 1604815.65273417 1741480.17806598 1809789.5426962 777876.698578655 786694.852130492 785938.931887511 798916.849721523 1951060.27383134 1894744.02600296 4430545.64416079 4483611.79730159 4696029.17406856 1064576.79013795 1105396.21296233 1152931.54439723 Car(4:0) 7275718.5761038 2663457.64132539 2521995.20376807 2965119.89657688 4304728.26794533 2246836.03572269 4524660.31290528 3823686.67827807 4215895.43190306 6354611.89065995 2509534.07092712 1388532.48553024 1703902.41794219 2242872.39620976 1998677.78826829 2638772.94872622 1451315.40135582 2492032.7882279 1523265.42727408 1205242.70791341 1684298.11895757 2855621.34868757 1259369.72977724 2442379.75319427 2454585.22806652 1493244.35286196 2638424.53456009 1313224.14731979 1620620.82624203 763703.042029454 2913317.84646939 4420732.90647862 4502624.77066429 1634894.29932073 2339493.3081656 997431.534365997 2269929.12719718 1411351.62011304 2410892.53964877 2087960.65644257 2455517.87239037 1351292.3756753 1205159.05242432 700187.536252417 1144089.1794012 4993530.43876714 1055870.74888706 787830.437068458 1538838.28874225 902413.724718939 3617488.81440112 3475397.4268903 3646633.48598313 3640033.12544184 3527697.84296958 3618294.40638178 3567260.3548037 3569654.68757979 1236.84912 1082.627583 2049.268371 1676.993827 nan nan nan nan nan 9411961.69845749 9311754.52915013 10015090.9594114 9502518.75587568 9614182.89865173 8775638.95871748 9357978.69022149 3616969.00637099 3821368.86162387 3698056.50225296 3467150.70049773 13538885.1527304 13082140.9496609 19949032.5224983 19889558.7036938 18154180.1334168 14284768.2551004 12841384.5413748 12457234.4762894 cytidine 54971.6448562823 30411.8409625627 31868.6344992901 25429.3309013789 31419.6813359277 35340.3123471774 30133.5193697463 39247.015291735 27090.5481644573 40774.9622922881 29392.183606669 18050.6859382278 37516.4193386323 42966.9761832164 30122.6898857939 33023.8377246864 19276.9747067314 23037.913441036 29620.2974690986 23919.6095199345 16620.0791940714 29496.9363100841 16881.7197633479 20381.1963411621 20268.5710215513 28700.7309293424 27920.2591195171 18828.7000241971 26191.4845497187 17180.1458656234 23939.395148238 27288.1729897907 26601.4449146268 23589.611376556 15526.4176268119 19031.7092185493 17643.975348639 23284.3349209964 21543.7724999045 26444.7033700628 40210.5960131156 23238.1063040595 33411.0101623509 20055.1660220069 28252.0792472291 49292.3485992679 25792.7549359252 22442.6578835475 28299.7109354274 17147.7412135986 29413.6048719556 28709.3354652099 30177.4894544488 28909.2342271875 29531.0825809494 31687.5872188988 29387.4925170912 28490.5362983895 nan nan nan nan nan nan nan nan nan 32090.3145043816 30640.8464623441 33500.2039771464 30459.6076247383 33646.5340001728 30032.8745641881 31445.1290296125 30450.2201839658 30079.1161594073 28500.8734750826 28474.2994220338 53016.8768997268 45367.3854724335 79999.813753719 78543.0871954037 83014.9965025168 50167.0045530525 46189.7024135108 51048.4581935826 Car(5:1) 193410.344866661 75177.1108212345 170660.107309226 104429.355731408 114940.337293952 142100.682187 117499.133465658 119068.515450982 107735.885061441 124008.728925036 77117912.5984248 90909.2646577537 152617.918717442 146578.741140673 123108.789505332 133597.275008382 154079.454588561 128705.367765737 139206.525311555 127571.183050999 83212.7417035002 108211.205180766 88577.522993856 115432.867253998 132082.405553372 149135.061377905 152470.693794332 132702.73887054 165387.47054749 130810.45388363 142688.374891138 115820.576715065 167050.522298096 98156.1213567927 126779.996701887 108604.099840184 142461.776527439 90973.273240449 105347.505775551 100198.780647838 143564.525289403 85915.0372169469 99535.2747319441 112355.680643093 97320.1002930788 164559.864449681 135714.258683367 93077.0749505965 138392.625364105 115047.784617798 134695.615880391 135249.823048258 137723.135572071 126476.107580001 130472.693685054 133780.312958715 132178.686127283 141044.508619562 nan nan nan nan nan nan nan nan nan 386890.757713875 373225.794248854 373397.352920502 349250.331471622 358036.33328891 354142.181227078 350093.033257892 139758.627972074 141273.270063364 137129.230642531 136347.275434328 245689.798255159 275216.751945878 748265.353871887 1005728.14630034 705771.027171387 163807.265761869 257639.221742631 214735.628994501 N-undecanoylglycine 225493.121534455 577729.919812263 212044.733594763 890988.973271299 131180.077520344 773739.057566061 528238.794103273 279567.449400352 202661.384113785 520559.056706372 199625.331301214 324241.004175892 466011.489601817 313893.690567799 585840.920641083 502698.611848334 170957.303179603 479289.758361074 664573.087103061 817979.90768575 1355807.30437654 786011.965660465 1120167.14534506 740787.864200094 891829.18236429 887740.598195874 789048.462263737 359044.216806486 628808.449163232 840957.827027427 629629.463922187 1234388.71693109 562126.417165146 512055.913729519 969357.544516687 803554.280850518 306932.561983948 1137916.98660929 293447.08066212 160032.523979282 119063.056008109 294435.120195366 195189.147802043 191769.056895718 309987.361156071 569598.73855709 251108.456109728 684168.435210739 170575.749416026 277605.829849262 1184341.88197911 1284599.84357807 1346104.81656746 1381917.6385425 1363575.23309867 1313173.51108885 1318133.27732578 1301325.10877039 194873.9061 183456.3159 168051.5752 67833.65075 105221.989 92469.39093 97874.45228 94698.76455 96985.77124 1254169.02510439 1448457.02357523 1575782.05052929 1571252.36003095 1566288.69493613 1542125.34582923 1612088.97793036 1238568.25162033 1335399.22684606 1338918.63319399 1325898.14502089 935631.933128857 988157.898442357 130528.468066872 180180.817228902 338552.820785143 123188.167462618 148274.348392045 180636.664519963 Leu-Ile 16170.4452916591 15216.8662269052 24270.0459113197 19219.6221793653 25974.6193632805 23117.6796908771 16382.5607816625 19114.8784106005 23877.9192895222 22146.3515320028 10479638.1472446 19761.1749809067 24882.2128867971 27558.9861107522 15311.8210664968 17623.7432954282 22710.7364881191 14324.0671287133 20128.3486914353 30424.7977643839 21357.330225337 32504.1380107683 16266.6308872576 33863.5884313491 30143.7847201212 25233.1220314251 23871.4638939546 14303.6199453923 16883.4088451528 25342.2476219175 21403.083860444 21129.8649384436 29752.0830019138 22301.7039036612 26823.123068485 16222.4168414291 16507.7561832142 13052.8964461456 16907.5616208375 24849.1295386066 21346.8128989389 21686.9155404267 13939.3835195593 16606.7031674347 16072.9299728424 18458.8440658509 22514.2059525955 16967.5695204793 19484.1985127951 11765.6462498423 14869.7829320563 14589.6516837057 15892.1202152776 15064.345652004 15627.471978877 14160.1571693325 14827.2281368623 14335.7215824799 nan nan nan nan nan nan nan nan nan 9413.74414214253 12611.8993034236 11173.0350270176 11130.7346663248 11990.6667301824 10173.639533405 12092.2259494331 18709.5484745321 16443.3410897452 16771.9886680663 14461.3096451108 9961.15543599331 11493.2305061903 12204.6642551015 15120.596053915 12433.4015062002 9874.28732382895 14573.0994551985 12470.0406509396 Car(5:0) 145970.489082451 351295.163564459 662741.492472139 525730.753362839 538983.965263159 409411.389237553 311704.612122444 300214.202241014 352430.593020874 305633.545124472 595240.565382349 697703.190888236 542718.322316977 307254.150824951 552276.318606206 538576.08259639 909247.239319582 187829.915181054 898632.502251238 769663.083585928 449926.552177053 422883.48111243 674480.701580673 321429.973468908 493389.239323666 1341329.57455735 476401.292633806 1413256.34317349 1332528.49400548 752292.69149306 407758.388077559 493559.445941527 781461.070773542 453158.259034142 409356.674421333 947567.447959364 463617.762997194 413912.369431664 549140.755805595 513962.221321193 381837.498721931 685872.305739093 1022583.18048019 1307159.68272397 798754.806407635 254083.214169863 826715.434097563 1182226.61047947 965456.545646538 901186.284390406 605879.780156587 629371.765992387 620278.575754537 616813.663709629 613336.464190588 635818.579841699 635722.455692647 605033.166912202 6482.092258 5785.107071 7292.578139 nan 6219.122375 6056.840078 7394.145733 7081.760936 7094.123719 1002014.50042822 947393.122099322 857515.055576536 886552.356807434 897575.428292286 935853.093893537 880537.925015362 603888.136069237 580508.081561488 632620.695273393 644900.868931882 2319411.77634614 2237016.80606729 823379.175466237 846153.566947508 1010099.52281878 391407.931193819 384031.362185139 351513.172673482 Car(4:0,3-CH3) 1848440.55144836 1700693.3107479 2389079.26295044 2097646.3769264 1889162.55639671 2175520.10852441 1891387.70227399 1784181.27567622 1640335.50248689 1721104.20406138 1178084.70930473 943581.420208481 1202687.33209053 874133.194882901 1255384.91818173 1093842.77374015 1278199.96443456 738370.260040323 1163576.21874503 1219820.85038856 1876319.68735438 2075369.43142172 2392457.25403215 1735907.03287 2274877.34399221 1693854.17075692 970923.230516405 1463344.64823345 1527786.26114126 1050519.94697169 2736903.66266037 2531497.66606465 2308813.92802501 1906930.95832653 2120226.92603196 2216592.53857539 1934086.83761806 1954695.55324471 1774423.04861083 2273313.48765788 1137958.70667315 1229956.6853529 1258814.87164193 1648120.00144541 1362246.57321019 1252459.19256191 1294322.95520256 1663479.53135255 1452429.38684495 1274054.39716971 1808761.02387437 1788585.59921899 1804314.47473336 1796432.88413977 1799744.51697834 1755378.69731792 1796768.06685311 1863974.2465535 6294.299962 5367.529343 6926.206968 2155.235174 6286.203646 6078.496112 7394.145733 6997.659504 7094.123719 2814271.5387391 2826202.19244492 2894993.48407821 2899394.50963554 2837645.69865216 2879064.97042726 2850786.33003802 1833319.35125214 1838753.90757242 1777345.34205376 1784228.72039624 1914717.15066864 2014300.21570432 5399490.50346743 5362688.92299576 5462541.72681648 2419024.78991565 2423384.68560796 2485803.57124282 Car(4:0-OH) 14193533.3806674 1519828.19711889 1261944.20214036 1114428.1580416 1282621.36096361 793049.828516782 2764756.16441332 2179454.87174382 1462878.21100675 1866185.36440279 2630230.09814745 1989958.14516579 6633942.8072921 9509912.8852824 2447953.8800961 2166883.07564035 902747.734932685 2226731.39957514 2774983.58597733 1136416.41317888 921894.439678033 937111.324489429 2288773.39628325 1641855.78314811 1356201.95329677 940079.605734775 2584012.896639 744328.379900324 1373612.29654678 1835667.36203235 2252142.04472776 2854309.6465598 1428454.20737488 962855.787679938 1399781.64902421 2090545.05455 1636851.91304551 1660291.79743574 2051717.17177562 1394208.36961572 4065452.62344728 1852100.08466609 3218878.72534047 1780746.34984667 1748421.84214695 7442453.55086561 1818567.47475616 2111454.65103302 2657370.56582657 1830223.28362958 3097199.74341787 3068526.87108578 2983571.60937559 3031465.74353001 3030159.39629298 3073548.71577429 3047926.27694117 3034623.29663361 nan nan nan nan nan nan nan nan nan 16943303.4746048 16479156.6236322 16834701.9745439 16657953.6466429 16630623.4234176 17058440.0487215 17250245.0648058 3109381.37697804 2977992.17326602 3012249.37800475 3118508.08365312 776423.388840772 754210.820931662 25664130.207281 25131434.3130898 27019561.5925545 11849883.9131163 12130826.793733 12171420.9991761 FA(16:1) 29986.5331378839 19212.2543153762 31586.6490483796 24326.8013499542 20905.2404788933 32114.4106824601 31087.2720624478 28298.385451915 42742.0944673978 22317.6351579926 19887.154731139 33119.9589183075 48163.6105787051 43953.4898797847 30269.7306314584 28059.8328501009 43408.2374053359 28353.2585380878 34537.4853184463 30964.343054685 52007.3627999353 47718.3570371743 33458.7138053107 40139.5089494409 34373.09100218 32831.1148647033 39720.2932015826 36607.5444320908 29449.247076684 45063.714720661 32508.2536751361 25418.8524087482 39889.9420838961 29589.5033921903 46515.5453678878 28442.5634027989 30755.9458484546 23919.7840348084 24643.8497289704 38773.6979594902 40203.7334163721 35216.3395526549 34124.9077131451 27990.201421588 27252.0943951896 29445.3962474179 34435.952646829 29848.1649322947 33371.9000464536 33654.6660524036 40735.2915139067 37443.0829216539 31890.3846617863 35803.0850671668 30263.5081490383 35539.657015385 34266.7623829255 37650.5807369711 8827.005281 14047.59289 9953.917762 10753.41874 nan nan nan nan nan 69770.2774399982 69567.8609944531 58258.2165993071 59403.2001301172 57922.7662917037 54777.3560262302 55635.991624009 35750.217025952 29072.9702519104 33410.5895701649 36012.0799771956 18438.3298067484 18318.3574069071 30322.7328819218 30331.7662108178 28341.038472365 25882.5390068111 32579.6760578782 28453.0103960788 sn-glycero-3-phosphocholine 162824.205693427 151521.47447414 138791.258128858 170430.202024845 138426.271109296 148715.291753248 156411.472841412 165841.423446825 176619.187408679 134537.22752203 150702.703596621 189535.272231161 135313.422449281 147313.218760493 179399.356411399 153413.798219959 164997.169814558 178422.403919459 212445.532705151 162015.069884818 158546.026603173 167766.469807702 185254.0008841 161201.332361609 176585.371343007 179646.062476167 180299.844008256 177357.036272799 186988.058508977 209630.816874446 196799.083074541 161139.254192586 174349.568280836 170556.453762832 199459.354914178 214294.398715602 176333.582122143 166830.647691211 152467.499584006 159129.775158748 172563.247420671 188843.551236559 211203.149979242 222538.301116257 188483.476925067 175266.779173005 211130.273357 197943.567132593 171826.95673941 208691.434129498 156028.831366154 172440.128081049 158101.881825879 175326.806647079 170654.961790621 153871.665613155 155992.258155568 168356.808273544 nan nan nan nan nan nan nan nan nan 155515.305658175 4557233.66846363 4609288.49370072 160457.961827015 155076.443357197 154429.354947387 133780.186228285 168548.739425737 158917.362732078 164645.502331055 181369.77699264 44679.5309983234 50617.490360431 127228.766460266 101177.033229391 103574.716853413 115162.818366693 125367.101038951 104673.620051452 N-lauroylglycine 2992.76754114142 62686.8760232879 10085.3623900093 53054.0803680235 12030.2168022885 7052.04628363293 20794.0578020643 30995.7590280849 17955.9999264304 45242.0052950169 28368.0811224749 42227.2125424936 42215.7935587059 23861.4603718702 52230.1782418163 12901.4093858431 22102.9446642704 29356.4174397552 81611.8965023875 100864.918000779 145421.815303737 47981.5333372464 110357.770007377 118130.385695579 93565.8979507144 98955.806488301 125855.925187677 27334.2568520339 45468.4790495042 120676.636644167 6023.03724112328 103919.598802785 61227.3430269023 51596.9318803042 85350.4340461099 90578.2816959442 4697.26829726617 65964.1047740779 24312.6441416005 13450.8535972543 5761.04640637926 5164.86290773134 4257.14082024292 13368.0229846018 21120.1282037677 42793.7178035464 13683.65186787 7687.10816041226 15645.6515486647 17497.2534520484 43199.980095719 45095.692914162 44578.0827598288 47041.2833620724 46254.4677064036 47178.4604422817 47082.4167784728 45372.0555702218 41698.74569 38534.49614 42634.16105 14515.55263 nan nan nan nan nan 28904.6565411963 31169.244786872 33586.5785121937 29828.0928608996 31478.8411095864 35494.6882898279 34768.0758868129 37096.972963101 43106.5988188112 43890.7896002875 47531.6461256651 19111.2728845438 21297.3091578009 46397.4704869051 48349.2372801614 52939.8774288633 25138.4338536691 22213.742585954 21726.9551895667 Car(6:0) 2474691.81017057 1081722.73676135 1335981.51004809 2140731.73286624 1333675.31692938 740024.125033329 1892978.26750476 1823222.47729776 3957874.37164615 2212822.62562144 975982.400028748 1398016.52104549 1668589.42462687 2227303.34140086 1313184.34906467 1070289.86216039 1313542.90358207 1190809.33163188 1487609.83466832 822122.24292085 1667157.52118716 1819732.85319653 1312084.26523869 1986700.3182295 2088722.1441035 1070023.4508812 1413073.48628946 723717.937823596 1139394.02006661 643600.033998334 2307210.59249876 1889200.7715717 2184866.22742757 1411631.60294967 1656172.80595984 956773.03623314 1723620.54930268 1533977.47921383 1795416.6908305 2047952.04298082 1414136.94827859 1403150.60852286 1104018.48178485 596797.3027703 1160326.22919876 1922621.78558093 1200735.79714765 860214.53971446 1371197.0083489 1427800.07816277 1674589.73075398 1686791.7845918 1687749.7029401 1726513.30735442 1726581.00403663 1690595.5764402 1686047.81895457 1701812.38216615 nan nan nan nan nan nan nan nan nan 7778606.24698165 7812539.34876676 7807424.89095236 7908484.17676276 8075930.06527935 8000098.97938903 7768133.30897382 1693329.56324069 1638451.07859982 1699262.17265202 1713165.26408865 630354.745713768 607124.232718326 6356309.88626725 6300888.89900135 6576804.56214713 3393098.24374199 3305648.53124682 3411129.63899478 gamma-glutamylleucine 113924.627980153 142605.577573049 149436.454784266 171890.040040123 151471.05550802 156034.007531645 130895.299122472 138203.40353302 130747.231712406 114667.430662228 146221.90618988 174462.554076922 204868.122974223 165884.600591672 197642.748388181 195237.137126143 178861.180390822 105135.733444678 181273.600958086 192420.237431822 142969.037332214 133030.318240332 153519.873731562 145905.390417471 159456.382619889 192649.577758257 187691.525018414 177836.454112124 204631.027211123 214317.834605563 165847.752705347 152763.59137541 133120.105793714 149608.809586366 156879.878877904 174608.864781642 151491.467856003 175876.116349381 155855.137312436 182440.903200999 176583.451487794 182852.077958719 212093.297254818 228160.411734213 186012.59039262 151914.116445354 217956.99434629 203400.34964656 194981.558492352 183963.908569017 160356.387742749 176797.923361292 171522.499927961 174689.051813561 171249.321517688 164865.990529544 175319.535269013 175648.471587921 nan nan nan nan nan nan nan nan nan 150143.971392242 148558.078619658 154554.614707151 150641.646923415 159282.90362837 152243.871631366 161783.471739883 165478.311504838 170490.902096073 170578.485885791 166446.693019574 45895.4175450738 46406.4215070959 111696.323998188 107566.844107943 119315.943074446 98208.3850423347 103269.072230365 99337.6810899527 gamma-glutamylisoleucine 139718.814720502 143985.776970841 144020.629746963 155591.233610333 152868.283245999 147071.331474329 152397.126207342 152212.627506003 139469.050255938 142902.980121712 152661.499566059 161935.295806269 189708.871858477 175612.423372864 194646.869725651 179143.619210952 162241.166001037 117503.499070893 183283.468561512 163780.673235527 132339.468982141 131748.691092533 133072.938511808 143025.193606688 148885.353687411 165234.804041581 188147.49042305 156586.040866641 176413.796669433 178848.023603262 149375.703440456 158528.156381149 140089.803846946 135590.780826943 145502.121788907 145069.715834756 144630.18632725 147189.252378146 144703.844500642 150195.320040037 165452.849818408 154551.838489175 187433.298620097 185297.681998967 151647.610696113 174946.780663819 189946.890424861 164862.575489641 178296.799855103 164462.899640353 157486.866669937 172286.876308052 162313.653085042 166026.207946475 163444.21605075 160559.051950696 164764.975804817 169731.895018081 nan nan nan nan nan nan nan nan nan 185016.512019605 193604.806536834 178027.086870896 180140.767546932 188896.956887365 185900.964372268 185882.138105531 157690.648267984 153779.41830474 166907.632618783 167328.009816915 40954.4495647741 45028.6492102606 190848.664870257 189450.588483177 205954.618677842 155003.076088416 162486.241811718 154466.860143772 Car(5:0-OH) 2539383.61653847 1740055.07995636 2744162.70189073 2354691.85983616 2667035.61430997 2468790.60933415 2001274.36747809 2133024.36886198 2252971.41363669 2223783.6528957 1904744.37089168 1780105.46768354 2563568.26482559 2010533.4162032 2109810.98067516 2969584.22281967 2358283.89528139 1836885.15587616 2007143.26497041 2253642.65964884 1565507.7236369 1946801.03030492 1467533.39301576 1779542.98385525 2035423.00001039 2112154.97803937 2507941.09036408 1980400.43784426 2255176.3745633 2015087.85250266 1922433.60428453 1787958.18117109 2082502.73451418 1660708.34331747 1858730.88223946 1814873.64139751 2072658.68857232 1941257.65559789 2180035.39522894 1996121.27849495 2067591.22418524 1362920.1574987 1777274.43504357 1824110.263875 1772415.08939949 2208332.56124955 2087650.82818239 1674534.15697674 2221039.55066765 1647869.40728246 2249901.44266053 2253095.78107956 2345396.37168652 2356039.05767087 2330773.3895152 2337425.11617347 2299223.37260825 2301504.98148253 nan nan nan nan nan nan nan nan nan 3108078.0813195 3005321.35651782 3101623.75080233 3132353.75604056 3068443.51186658 3133065.12352573 2966520.44288231 2272136.67806708 2320146.13256311 2330735.83271705 2370573.82703682 2828758.40635877 2809638.27349277 6117303.30278931 6156368.21482495 6069141.90128018 4575582.15217264 4542521.61190697 4522449.9403279 Pro-Phe 52692.8468805863 31959.022417992 33791.1070618008 47098.5467182996 37496.564573831 36229.0666714706 31124.0542428903 44391.9452222733 31097.3262817691 38358.8501619402 27968.3425212344 31142.5750760556 44964.2245494509 39279.6838634347 30717.94499079 45588.886900164 44547.2395171001 32011.9479383223 37351.0517524944 45450.9394445896 36601.5350491204 57109.4220109918 40093.5931010078 40140.4813158763 39161.1878410559 40062.2988259338 36987.2197217413 38613.3398642907 37251.1847972575 39859.1450296873 32995.3494699046 47034.5857759781 40745.2587264869 50051.4100506387 38218.7121361495 46278.1306155436 30790.8455872044 26093.9266541433 34116.0335060192 33619.2574656251 32829.709409325 35497.6143635691 23573.4567879993 39959.56797349 24351.5078146186 53396.9714087776 33154.469612698 30943.4490300098 41600.5116913785 31347.6646706837 43211.6633493463 48466.1178087617 43475.523621234 50969.5233933143 47644.552188508 46528.8748211873 49276.7996546906 49745.2546197795 nan nan nan nan nan nan nan nan nan 45708.2379491928 50193.0150924019 54138.3118942938 53612.9891789186 49691.9097199218 53897.02556874 62393.3617380791 44476.0143219293 41360.1511212924 43092.5927354384 48342.0168976464 16373.9202804807 17239.3919506096 38165.1425259039 31224.6156064996 38091.5999474987 38018.9491165899 42927.4066640073 42836.5072533805 deoxyguanosine 13084015.0784415 7209853.30693155 7761300.57097687 4434549.30262573 7297244.44592655 5162702.93500878 8373360.21476655 11779976.2138581 3958281.41065999 7284677.68185352 4325396.32452948 4917459.0802945 13472530.2341245 10655367.9374943 6193398.30516192 8629889.57063452 14936769.9282905 6205620.8624792 9803403.52358628 10303267.1939497 10973167.7093852 17748320.7507056 8713942.93673447 5997557.46069931 9428122.40120103 11110466.0360503 7995220.50445881 15661110.4394785 5621652.61034214 4106497.39731777 8560918.06789799 9670538.45466205 7551306.81903782 10865890.4138368 2386497.36509452 6440195.72420405 14713401.2814922 12124378.9166047 10677923.519187 10123248.7167288 8290663.48067975 4847946.48678211 10507747.3494485 5549127.58816668 12548733.0613982 12503588.1973639 4245228.79055222 4727080.64163845 8706626.50026149 9454999.52549532 11854167.8622113 12335340.4300403 12688956.8155483 13277521.3108084 12598120.1875579 12701011.4795378 12358903.9255856 12288591.5102603 9383.418758 10765.0514 15318.13282 14523.72043 5883.772501 6116.655764 6125.35145 9904.383615 9661.532382 11301180.2750815 11082399.1696758 12140766.1813485 11731781.0660439 11778565.4827349 11479227.0642832 12058807.3576044 11270186.0416711 12862992.3768071 11807373.1096136 12197548.7161947 2688116.23856253 2492065.00489286 18958697.7269513 18623233.249176 18312924.2113569 11298347.5398117 11493730.395373 10810679.8639113 sphinganine (C16) 3836409.34532083 1660056.9018517 3765065.65520897 4795621.96427498 4828665.63572071 7303918.92528574 6039690.43196894 8896086.53690655 8708547.3180226 2724204.14899332 4160634.49962581 4192155.44712043 4605820.53078785 4684266.94745317 6389771.86552174 7748332.31835085 6599620.46573059 2663673.80449109 16400737.5544799 15923227.9139656 9694783.92710199 10740083.8489175 12366935.8772902 9384697.75828692 9758506.35756058 4971440.80814968 4220347.27477034 5738166.58155939 7491913.71144218 6925844.32151475 11013486.1942823 13145613.0804414 17970049.3412511 12626202.6876838 8994325.67071737 8173908.40418095 5746721.00547883 4751212.8539995 6134684.68918973 7313123.59981316 3482804.50532887 2720037.38316217 2595152.02914596 3234157.28835977 4043808.72424612 4938791.36573611 5797477.33731298 7715027.27711302 2266023.03622823 2530233.85045707 4906496.10081931 5036785.20211255 5213200.52855471 5285567.514496 5327192.81422019 5322798.98982943 5309952.92303251 5318895.5173885 1583467.246 1562943.675 1611176.866 1715959.176 1433220.41 1532512.037 1656041.92 1814032.126 1869654.347 1609322.19370249 49258336.1181703 51509465.2261737 1814830.01126057 1778926.19888508 1839886.31007855 1816949.10769977 4895519.3798922 5177035.39944137 5112355.0608763 5482721.20533155 7500061.16619084 6970410.54913987 3840759.76838758 3222414.3254324 5742874.16677101 7762120.68183043 4787234.68884484 6099659.78791077 monoethylhexyl phthalate 1246182.85300278 1209217.1299481 930481.844007332 999971.348618483 1131823.74733387 1296929.12733823 1297460.49459646 1131486.88200513 1172514.28288087 1162243.66042311 1444210.64714103 1345032.91315674 1306870.31097041 1767900.45654853 1713713.98589027 1598414.42715255 1337326.8086081 1388008.93438724 1793720.46092991 1708988.00780055 1637865.25789034 1666366.74867878 1563302.94810182 1500165.67650022 1561498.64254487 1050643.14555132 1900886.68082013 1216935.877301 1702873.02438166 1662404.72528633 1604402.00747455 1914681.11081178 1787546.52501665 2562386.76838688 1621615.66232085 1550919.46392287 1797411.82272168 1290613.70229654 519435.595806716 1331074.61309094 927872.721941211 411371.212317912 1776886.01002236 1593307.55168824 709710.093362687 1238562.27168945 1360078.10270034 1809056.65110634 1011558.62085258 1186290.0062801 1021191.92674165 1176910.04203035 1176081.03382909 1234247.47736305 1247634.38698271 1257944.53030136 1223032.66142282 1306491.79381241 1546180.485 1460106.332 1645595.802 877972.246 1258536.924 1199263.866 687469.8994 647555.0688 686560.395 1523545.21087091 1703648.95654679 1815150.28032839 1760949.39163505 1907916.41008546 1959327.32249663 2007648.36349553 1094600.51989108 1214532.05954299 1229215.37366115 1237190.34387795 952258.118002444 930985.453203813 1064744.58879057 964899.740673795 1549104.94958915 1666082.20338726 1272903.31492503 1823881.57568173 FA(18:2) 28078.9923577038 29294.0672306206 111689.77079238 61368.2689834597 39089.3461371516 79839.770387497 49519.0465007895 64800.1994610771 170825.252784099 47275.4058639451 73689.0991447899 123547.901644634 137360.510676248 82771.8930211117 80007.4995833164 42893.1643528233 110620.411451468 42886.2507917047 73523.1617045258 106889.663308265 198227.242150535 189684.495858673 93439.5039919589 140984.821787169 142929.79089468 98543.1533808359 106018.193796169 96081.7032536711 71750.8487774965 172118.9604415 93954.5657124653 61904.640633751 75159.6336846737 107444.30695526 195056.00727631 101428.292578672 73015.4477896566 92214.9332483849 70028.3174024242 163436.996666796 116499.048470364 88511.5507087616 89924.5400963272 82367.5586143869 64797.0682804049 53413.7260081358 73904.8275243978 57511.2837755335 68382.483524835 56747.0512108232 95842.9120521863 99353.264856878 82538.156759577 87723.6252961059 81625.3349097082 85902.2822282284 77333.4692129243 96835.7510884415 10020.07535 10300.30284 10417.69322 15423.50897 nan nan nan nan nan 139629.814831678 130297.3319525 126345.543929711 120851.109546925 118216.370987286 120163.30822665 111392.60494944 89926.8036385461 80740.1677421041 80014.6713604074 83659.1966629401 24163.8330876318 18017.3714808765 62236.9901146897 52242.2353905306 55182.0072851526 45880.9184805579 39821.5096976479 38726.5741958594 oleamide 78127.3555570531 88050.1296685602 60449.8161560951 136073.031230463 43381.6006833336 724945.812584632 53430.0995982219 30217.0731813293 72086.4083607117 133186.006104278 83073.2425210405 60148.2959376763 97196.9875760174 93043.1260603905 71424.8059901227 460211.928242378 65400.1324875629 119045.505934035 65755.2865380991 60018.0309375821 495107.568683555 69287.0201244619 59739.202178927 66094.5994602983 111933.754630305 167825.383251135 176235.895653954 65887.9603258477 104755.721350676 129288.223121275 101272.594597527 146119.673313128 123864.995669813 78520.7315554693 105085.248961493 81961.417797418 63808.061437153 57569.227678793 53968.772313834 41809.4102816352 51658.4299093549 49114.8067648624 60562.7959897303 106850.410364877 39059.906767013 116747.972601837 54781.4446873346 123342.917507162 20332.7306353513 52931.0705770924 87196.4282866322 84883.7098391848 84806.8422651002 80069.1832995514 82547.46307625 83158.6593898974 77670.1252646558 92883.180086306 23444.11295 25728.52845 10050.334 23687.60651 nan nan nan nan nan 65791.8933095696 60027.6732268406 55977.267877412 59130.443329327 56484.1458032422 61983.3123666629 59653.3260906464 88880.6675054213 72660.058460851 77803.9293785609 77731.1006183903 147062.658437245 148868.465694972 276816.576968571 247538.215759716 292570.588907007 385045.921074848 316898.789408339 402406.182343533 FA(18:1) 34579.7508032851 37249.4749380086 41692.5774400698 43758.4883187724 33786.9960531223 58789.3035153748 84600.4635425779 38342.7561947282 44518.092237774 53379.8083171952 34865.8234527376 33583.0481863184 42498.2802560933 48924.0675739382 33437.9917137834 45641.2344246117 50161.017079364 32496.4109634073 35641.8309338224 34183.5195856191 54620.8084137215 51323.3243492337 39069.0399026608 54263.9254667625 46381.5092149776 51278.312942846 45778.839057694 37515.203907799 33997.348780056 38562.5019125321 51793.4094392803 25445.4642371151 47071.440455825 39231.2780202944 54134.4292021875 40796.2608056349 32149.0737865068 23614.2550124659 26814.020401992 50016.0480882715 45459.9081960121 37638.3146830937 32721.0014008762 37494.0392279804 31429.8285583578 29568.6701902072 36712.4768980294 38716.6082813587 47399.4173717603 33509.3079407709 45009.7833536007 46347.2755641198 38971.4931872645 44297.1105176071 41813.0656598895 41993.6423396953 43098.5229254753 46672.1796492452 13370.33139 9424.550246 7073.798667 12959.84191 nan nan nan nan nan 101721.666741003 102087.027679205 85369.0191990649 83583.9793479906 86366.4092064837 86437.2908008674 79704.9649153566 38735.2875904117 33255.7176327603 43731.752061511 45994.1606924545 11664.1389553725 13503.4363063617 53934.6986350185 36843.2867312474 40362.2790739549 53341.3761302257 39319.8174476932 43247.4643526156 Car(8:1) 52673.2000731154 51566.2928642378 81004.20200305 77874.6096047274 67812.5697778212 55172.787759826 52575.4228493698 54714.1567473069 137849.78093945 50046.1156244593 48968.2888860199 59761.1987989928 61644.7983673978 57321.3660822997 46829.7582452642 44958.9031505233 70250.1864287481 43537.6527367422 63673.4726430712 47480.1996887374 194485.885349124 209679.947824038 109464.407960345 110776.495706156 128057.168442967 105378.769376227 81037.3856445256 61727.0764490866 98943.7246422899 88052.9163383159 93195.8414175666 72997.5477068649 89863.6946413455 92245.2619607958 87649.8402097179 71707.087294433 86179.7708908112 79161.6237018014 70078.9795205637 82519.9165116322 47693.3644571446 78268.6882961978 42419.9722031639 42254.433813524 48575.0404678312 33827.623778952 51879.7064004187 42855.8436773327 46706.156855515 55110.5976817291 68043.9022556658 65529.7491535466 67488.0498512603 72008.3161482116 65376.0850476357 72060.4282383115 75404.9607117952 74819.1991076242 nan nan nan nan nan nan nan nan nan 211208.75385598 211249.830804876 213210.912035286 222438.374109762 215311.24721965 226087.345299717 210973.791011291 74406.4775657657 69027.3188951508 71541.5569588744 71023.0206495298 34095.2398634131 33150.9556221503 108992.230224564 104271.374567677 106098.97261146 102872.463049413 102688.822421629 111650.912622154 Car(8:0) 2378848.52778253 1065699.7587035 1668283.06646468 2605144.37605472 1291099.37921263 785795.592183757 1901225.33097211 1690407.93378575 4648747.53239637 1915851.54901207 922720.154905596 1432803.9075816 1805297.99993079 2708396.09505791 1398338.54598067 1089134.44634196 1685465.16621762 1483827.16320896 1868182.18892262 872138.802265715 2005691.93945218 2185290.67771077 1553396.95346835 2371001.02216351 2631810.89751736 1554636.00818737 2030213.78437382 950413.278243247 1745224.03845645 1414528.09890789 2808421.77598615 1963645.86047536 2382241.78920374 1728013.95416822 2887965.50973503 952646.597994579 2086230.64292881 1769463.25960634 2241288.83766118 2203715.94937914 1680039.2062219 1781938.29873592 1282267.81499464 616920.346253691 1266459.07329063 1691436.64838232 1428286.07500134 942497.913363681 1718883.85563361 1583852.48692097 1765552.39104293 1785187.16266472 1733196.62584114 1752470.11732385 1781946.97868247 1752634.55318033 1737253.52529952 1722733.62961909 2349.003587 2198.346803 3046.732196 1689.723963 3127.860904 1612.116249 2309.101786 2171.559472 3222.387505 5460687.42880643 5422955.50437429 5555904.2476972 5697940.14897055 5646136.09272245 5661921.15775381 5547700.10771999 1753115.11668162 1763179.66282767 1749544.26012814 1741213.89154283 176653.914161408 183134.754790587 2815131.78673482 2795067.71413796 2786067.17811782 1972555.71481751 1996677.43979318 1917840.82809966 Glu-Phe 21074.9257089199 27553.3074961438 29870.6608867861 26136.8018622074 22143.0364745659 24786.8002865217 27824.5974259154 24582.6989436989 25341.3230517194 20269.1503991389 28724.0204714786 31127.131436078 34836.4971607773 33488.4322739133 36435.486740935 33802.333420415 34959.8447293173 24586.9055002594 37877.8292320635 35297.1271081836 22176.6228293804 24280.4749442846 22513.4388101217 22799.2611425729 22961.0911548619 35474.6489526444 33064.9367336103 29520.9938211985 36042.6702393788 35798.3108810834 25967.2641412756 25929.9176662407 20853.389144287 23224.6308559569 23855.4273739711 28136.3387574044 21859.5943417379 25745.7522677707 25318.6717404079 30370.9236933945 28499.7662803608 29524.4820739845 36591.3270301059 36228.6978058881 31211.9963243864 28616.1734153227 37847.5841995278 32666.9117408377 35090.5169353875 28816.0731038024 26881.7873136507 32236.0475972712 29875.5895188229 29156.3261446694 28285.8476502392 30829.5187875774 29224.5200191795 27370.858795537 nan nan nan nan nan nan nan nan nan 25250.2278962856 734514.482705672 817541.041877204 27409.6932311646 21644.6984765921 24703.7614590305 22500.0164145967 31067.8965939593 30189.4950276324 25524.742221052 29624.2063920694 9333.59136749198 10199.2157732151 21011.6042013467 21389.6408855088 21181.3198363543 19509.5657577203 18156.2444297559 17377.3025095145 5'-methylthioadenosine 1417077.66460162 1086692.11823555 1562458.14659538 1458248.95425453 1326728.47115653 1388397.11373089 1325551.53600479 1294051.32097047 1614232.90999585 1372011.67158986 620924515.236185 1090081.2319336 1423782.82451171 1537503.8313142 1198496.28629527 1230764.56285986 1467094.38056405 996474.766384117 1128426.75788094 889551.562421937 1001510.84996164 1047549.47001444 871236.062111708 1118366.18985607 1187906.71154065 933930.920602388 1041488.44405042 886335.486093011 1060781.16102572 1074638.33618891 1069637.22381122 781541.606093211 959424.933787099 832673.131005688 1187165.61183977 1034071.93597782 1508703.41329724 1287823.90145519 1224840.66018495 1326595.38156192 1265834.00057966 1067109.47538613 1071616.03831887 1060747.21262866 993745.128311075 1128067.35559427 1298100.16299666 955404.779080615 1229851.17278154 1153108.00045963 866558.919433966 877152.738039031 852381.691736259 845832.658773995 856618.059957936 853249.856963411 850384.40169836 900058.704543329 nan nan nan nan nan nan nan nan nan 3296062.94017052 3307606.99931293 3171395.1559907 3006854.75472834 3053146.95989459 2971745.12652476 2936601.40005885 870008.860817706 862866.144749726 896162.677738749 852365.883252701 433777.56970641 495101.367089564 717768.752750041 971154.054932947 752182.159146277 576141.525492059 915802.514494829 806454.332860907 sphingosine (C18) 467616.403773542 490844.670704816 376506.475248664 391408.90305436 443395.600681442 450751.365282723 483590.57179377 566878.456780079 434253.711003967 438575.112636588 365473706.253218 413273.021313988 482747.592704556 538006.314332995 540848.320902975 430450.270183166 416437.571062694 420203.329164091 794059.680927157 670055.718848769 642650.432866961 654865.864068327 788181.825447811 589798.12151072 627563.523527541 744157.691990133 908714.229537325 921910.684175784 710475.254751173 895829.461469982 855547.802113955 882798.626339133 753196.828505981 701342.384349397 843123.950746179 1015753.96745196 557230.568328153 489716.138516035 411936.276444512 420658.38308392 501266.709108726 476175.366188137 599314.650686056 524434.069907301 656569.373568264 520602.365508745 549538.176340622 464022.95190571 440874.166625923 714613.937490631 697303.061435393 744211.135545545 717206.721127866 713632.316088578 726472.28874174 725619.428275248 705762.689443303 706692.201560841 nan nan nan nan nan nan nan nan nan 1387725.65093347 1500627.42615345 1307937.45840813 1285722.87686057 1344209.41609223 1336595.19302974 1329295.89201009 696620.80743102 699037.424401996 701905.225610827 712877.21475569 160410.214914909 162019.730583794 482658.801538072 474994.144520172 538365.466035657 777429.924290893 499944.986182145 530736.157320696 Car(9:0) 39021.1999362064 27691.2166650162 30262.495380039 47680.1605915073 38375.5643667747 24599.2435002183 34343.5325315287 34173.2672398842 34752.6570059359 41717.3505823925 16049.8042517697 14342.7064118555 20973.1671539353 22942.457223886 25365.1869334396 21071.6356225407 24520.9264903776 19111.9423833483 22341.2820836608 17704.3049945934 31584.4965604725 39903.1096800062 28188.980744519 37846.6851658725 40850.6908810887 25321.7455163968 25997.1534728587 20321.7903492537 28360.3831958609 33549.3282966984 45852.9451241347 42018.5850256793 38549.9918705231 32372.1179741371 44093.2497091111 21053.0583995916 33879.7985613593 31919.5796222224 31663.7972689103 41792.1909042858 22887.741218658 21143.1356682915 20995.7253273078 14579.7110571115 21602.2838781486 26070.3248372738 19797.196244806 16848.623013077 24521.8726890677 22374.0691122574 26611.2590741191 30720.9677140623 29932.0349791526 25575.8557659663 31299.5349128363 27730.6747924386 28399.4722885975 30777.8491799111 nan nan nan nan nan nan nan nan nan 44876.9632756324 1231168.14562786 1341252.64703197 48745.9997010202 43963.7523286779 46337.7474404361 42091.5811569076 27417.6067146999 30039.6090899856 28360.8344250985 31789.4982468631 9561.82299897522 11868.9517489418 46584.1732668992 53364.5814349472 47878.028399092 42754.6540758601 41135.5308428031 40067.4322183845 sphinganine (C18) 139504.723766123 200546.605952278 138644.043391218 153963.272051182 154802.708449221 151912.791362632 199334.070370705 227642.059263482 147091.432048465 156488.53523775 230587.502768706 172940.586698924 223405.009779876 211365.802973989 238995.89784797 148337.642096552 148935.687384524 175462.088959742 347104.033546047 332215.535846883 249344.878250732 269837.543361963 407754.60639487 227619.306701522 227256.432884303 415615.273806533 457893.219732676 518247.475630054 337533.081048052 335178.134199748 410092.344188933 458318.323318828 393005.295943699 316534.394502053 402217.817881782 527353.174833828 223775.068491719 213297.06758762 148808.986610483 178713.622781019 200407.368546021 176113.998087766 275545.446398136 236473.163693999 341374.925235416 209069.14956404 196912.860002939 211954.079023975 212356.821785791 315257.65937226 341840.56225683 323452.109978287 332998.387453655 319403.746045756 313871.960625774 324134.784284757 304217.23825322 320635.515488211 12379.9473 12293.97333 8411.912991 8139.887865 12211.0552 10736.71833 8743.10773 9083.148353 11283.14458 1411345.21292546 1424914.81431963 1386197.12512694 1333570.48827104 1362379.54168519 1410871.15562562 1497185.20132474 338047.540046178 299820.436975026 297430.589780171 320327.651591723 63383.3526724011 58495.7658360177 293798.296637578 195321.595844162 252684.102852284 638912.203215725 228638.280197302 253567.764704982 MG(14:0)_rp_a 189074.556452862 157753.383072906 223087.282878874 195878.282270515 163448.474168917 202820.209900681 162929.224213433 205968.138759583 276711.39460507 95828.6081034641 90543.9081498391 155690.908205597 249425.376816295 331563.507075233 178297.182877818 140593.539915021 189972.55811032 300521.522268835 243640.732937975 255749.364185008 367292.195838802 434914.728990947 239871.473952764 420422.73638219 269236.512136545 274923.412763448 275685.651427647 240345.166298048 197496.78767641 296176.709830023 425543.109644333 236884.525411919 305217.109116129 301013.858019923 492726.184099724 246173.915016655 210297.370898181 151292.693421598 180835.515511343 257476.493977335 119275.217222701 171986.631543933 163773.85999202 156705.394103502 123962.376604377 190165.611453 141800.101025919 146826.031911347 182647.899478809 147872.805982616 221930.431858202 248463.336157187 236134.717001142 242228.424348518 246565.835416795 259858.627989284 234954.604483559 257476.01801053 43675.70882 41783.42223 43641.04815 46808.68397 42492.6748 49080.97519 39724.80794 40977.31897 43435.99586 284217.980722184 340673.080729669 276687.062512194 311931.705546219 308214.626722183 304327.782765666 310875.828297539 207670.623321019 197365.589002951 237521.215772292 249596.781911166 48542.0971156964 52208.6190984989 138388.345596884 117220.041994415 160925.49334812 171805.783419099 124466.808873184 147565.924159815 Car(8:0-OH) 440107.629650366 104659.240683638 232305.069125912 249038.1140729 148313.700896589 142676.786304569 219399.937526311 186691.602904603 289200.468293449 222775.624850595 78943055.1113671 99895.9545502772 402706.036261994 552329.486891145 145426.864788527 131432.500353085 194579.68049153 172330.26971326 161890.606753191 102544.384996344 171287.799235343 215687.170571326 131307.49401125 223752.450533245 225383.751810573 120314.801790297 232364.747101394 89277.6378777637 135154.676395944 150423.727786796 266837.082201559 173916.512381767 221025.190645269 120344.873803375 310585.458187856 110663.325907405 305785.018695178 203659.84003737 197023.891719917 220456.278981972 312343.947895771 135328.613291455 121034.125258585 66912.7130416755 109996.100538633 295014.229805799 103075.436761146 71195.86769241 172178.912829046 102443.126414346 217596.197890598 210911.245547196 214185.57378725 212405.862862349 207642.165877335 195322.619849161 196879.457588028 211090.115169876 nan nan nan nan nan nan nan nan nan 796042.185018112 787479.392010592 843744.875060963 786528.824405057 775973.869602816 776863.648365384 769888.099503958 218246.715994051 224816.21624019 216583.860666978 209911.703826139 87431.7385908292 102396.877111013 584128.199206398 788059.290013049 591625.67776215 288492.970819403 478954.327791269 410734.090039895 N-acetylneuraminate 61132.5746691875 60540.0134389294 57011.4822488255 51752.9615110749 64899.3676303185 64448.7969662788 58905.9659694552 62991.063150014 60261.2185232708 72143.614259885 76062.0599950091 70117.7243897935 70055.9539369205 84082.3606671555 66246.056981298 70972.2229864591 64183.2611758481 63959.4957182885 62711.2405573088 75746.5912047781 58757.1685629372 70662.3376291729 50353.9267628418 72994.8065655839 61484.3543339285 71459.9348127551 69953.8236782866 56262.4888423439 56528.9274257412 53685.4350705893 52460.6875356598 66589.0797060405 72912.4139574883 61060.7806851308 56626.0465267299 50055.1614284324 48081.8353270699 53443.3222319011 56827.9617524009 70774.1871400788 67928.0724810958 58775.9637224005 57950.4866834912 55343.3114942005 61554.7665871684 74443.6322698585 69091.938147267 65233.1983438791 68401.6394150985 56255.364483104 54269.3351839099 52385.2954165005 50890.0143491818 53953.0983687093 54206.150907761 49057.5633524704 51701.15740039 55139.6426212287 nan nan nan nan nan nan nan nan nan 84158.073563741 82137.2691209756 98294.4091208974 89097.7615583657 97059.4314793812 98437.37069975 85674.3733887051 53956.0661856432 48151.4234905807 51544.1877537254 52819.4145050013 24178.7789257149 22134.0718761956 56581.6023058372 59028.9102784612 59774.6061997658 55770.0739186399 58689.3526021299 62981.4665971175 gamma-glutamyltyrosine 16348.3434124204 20053.1880586223 26098.2179610922 20375.1080861743 21789.7476563318 21331.1551346786 20297.2806257488 23639.7482170241 17545.334587086 17261.100344639 19794.8084544186 22792.9232197179 29115.1299335987 27184.903135228 29052.4291675874 29318.5884926032 24273.5802894696 16695.6154088305 29381.9355254087 27887.1861224449 19121.4352124602 19949.3412795886 19383.6335782542 18715.3009714555 17434.4810224659 24906.8361009827 29259.7362900248 23412.4981009496 27627.9197561097 24574.3462699366 19302.5544910866 21192.2605476618 17050.3247862948 16116.4497554312 17508.2645455671 20154.2828481891 19410.4506567967 20719.4611643328 18990.5658594937 21853.3574871286 21613.4320623382 18961.3789855049 27082.6045164638 25476.8561705349 21035.3399036855 24014.3240004906 28341.12609769 22959.8328311673 28422.2317875593 24390.8939847694 22358.5134394455 21246.1174174 21564.9572887239 21380.2985629077 22186.8559950757 19714.1898827256 21117.7504175259 22505.48058585 nan nan nan nan nan nan nan nan nan 23495.0706726402 25786.3833242319 23069.9012004961 23320.7254174297 24869.9712350057 23723.0578412232 25719.9285629069 23711.2361539622 19841.5878542505 21557.7217309372 23321.9691656676 6147.63054309778 6829.43197003226 16928.9186367392 17954.9694347637 19135.7279181735 12683.0201052617 12498.8198066872 13808.1156204019 benzylbutylphthalate 1210842.30770254 1351550.96477976 1203708.3197927 1327985.54491395 2316019.45651272 1264917.73586392 939205.84244126 977523.251827861 1022383.89952071 934380.919171281 1140075.02272634 1185426.84041646 988329.718472968 1013448.98813318 1121698.76166727 1109395.37506316 1125881.22488881 998469.349900487 1215316.18481652 1150730.68740661 1398302.3922459 1042803.86842594 1083838.51084383 1059623.02026261 1102643.52594858 1202738.5519077 1264478.50135171 971120.845837846 3677283.46597592 21749.6168626267 920608.340358415 1107592.36912976 822292.988433048 1061044.01908716 952081.398922614 1191354.57822302 2016682.48878624 1039641.73684546 1061243.92258222 1509286.74244056 1185197.65087115 1014134.10086968 1614773.33161916 1323112.96932785 1242314.50982544 1431586.49750351 1709211.85295833 1410386.72879148 1166808.57323257 1064938.76043847 1225906.47276144 1323886.42029827 1371213.17152928 1399657.79699527 1424178.84389594 1399589.54564558 1334514.54646745 1498895.52573511 1224673.643 1199672.442 1413312.035 960029.4108 795488.2999 856337.9759 755063.2823 958406.895 973921.8732 1757246.14148207 1969675.82137775 2323540.99999708 2158663.93759657 2285629.26524266 2405562.43883791 2438661.11843172 1209374.44122544 1397370.50080515 1343632.53227257 1390680.45411842 1083601.28893488 1057149.99169148 747548.331150913 703720.810388208 1115591.41689229 926579.006242685 792934.513568431 1132889.86004853 Car(10:1) 563085.578049671 486338.424496031 478009.238145624 535328.316726589 407790.154871695 397050.790585105 391545.018149337 556263.164767298 742250.818850996 387006.827749946 351020.536473593 361969.002358263 400269.625177665 389492.285852506 381159.137414296 322001.061080801 379107.905749531 379935.579748214 589815.159462405 308736.803634039 655437.807471853 585950.816761187 411495.018502951 607715.860179695 712135.030712931 279287.21477769 265502.011661617 282628.654616991 304911.72632989 271133.376776099 601036.174674095 710331.535555955 670667.784764139 594678.500091494 396682.000886759 322771.155068393 547351.825078094 521387.563261568 599422.465835875 531275.535413295 571820.461849927 652286.067026228 328676.918568772 304279.862072933 582491.400562288 361318.32328851 399937.550270937 305078.648817453 570957.956468083 616522.824304607 471311.915098189 498866.446556752 506946.78015896 511423.388943766 496864.196803899 509388.08496317 503097.653991226 469349.76934832 nan nan nan nan nan nan nan nan nan 8795372.67980319 8703464.87251975 8867052.47637858 8922875.27795342 8960972.91454609 8749833.28076355 8607006.22021891 470585.866791135 493163.476523403 505440.259487672 512791.186685628 59191.4775497013 57780.7466935231 1270589.15563314 1225629.78913041 1296709.21812554 926477.448906481 921954.429266663 937343.57635119 Car(10:0) 6234973.47554131 2614716.45795428 5518256.14298671 6061399.27072207 3245706.44856904 2869135.31149755 4862354.2065934 4287628.46000267 11630564.7654176 4703002.72519477 2303180.85547443 2960756.89510328 5896578.95014844 8458260.6035985 3246824.08160073 2913685.09025541 5099382.64484616 3709603.00289676 4095270.98399107 2132414.54244649 4061918.26969464 4408232.6232238 3384685.52448587 5020883.74518057 5365449.67751806 3314306.89637099 5721882.19904295 2320733.23127065 3468520.6968952 4027987.77056905 6057965.97787457 4008413.25379282 4900020.73790263 3513456.54723408 5991233.53680168 1797255.13058268 5292527.51486087 3499099.56636512 4331336.32920604 4880614.046954 4930223.92372997 4745145.29881467 2419364.7832118 1265043.55505839 2491833.05734282 3912406.93805666 3183384.42957201 1972686.07808455 4257324.20140447 2754350.80981897 4073709.75629324 3988443.97854817 3970043.86144728 4031624.50862216 4063484.67780654 3948878.51668514 3967194.98095685 4018006.91056367 3321.250799 2681.542684 4091.827685 3524.768269 2698.037475 2924.062389 3320.280962 5000.899728 5300.360863 12851851.9428913 356774606.61894 371294891.110009 13093480.1747529 12928122.5858803 12918404.0321345 12754715.5704914 4080925.01279937 3979149.61485002 3990443.44674502 4002283.55681183 230863.096864658 228130.08949818 4197180.12826802 4089362.58617978 4178204.47256026 3514073.02756967 3383979.19631012 3369043.03899049 Car(11:0) 204793.941011636 76495.2057599246 199789.596178635 176126.756398965 97798.5145255559 130631.474672815 134406.404264721 118335.153764097 224917.281971267 127665.820676232 49512.2822462183 61113.3292380632 158757.900409139 243201.936031421 80962.9149048639 91830.5816465891 144158.650884429 99230.5939870726 89401.5243477052 57084.5248650371 109052.705456901 135966.491621503 103674.175076836 151870.314623574 132224.884593776 96342.2136413076 152029.470347733 59305.7687432984 80093.7878942924 91679.7949213474 201501.423322148 112129.831988288 132137.227213756 90366.6087942788 141915.650309975 44754.9187690924 141083.786775172 96745.7269658318 120502.805023578 145457.693491596 116665.883285774 100029.188058042 64177.5048188975 45934.1994721036 65433.3613607152 107522.323780291 84911.2891062216 51244.819754053 126140.478377381 65539.7228378846 106928.015795473 110497.986075903 109104.723158564 114344.456521244 106533.540838442 107856.013850027 113319.286530737 110262.570513113 nan nan nan nan nan nan nan nan nan 201340.964871766 205059.280547615 197831.368419817 194635.542449563 207395.931723091 204676.685407323 207347.820574536 106460.731552192 100805.593056625 103404.039951855 116840.580134037 9698.78040248522 7527.42306204732 60166.5839919541 74414.5725636077 109592.368144739 90285.3067104249 80595.3418831065 94518.309354647 MG(16:0) 1733868.52119051 1820808.08228291 3059058.65055622 2036194.19985655 1273712.0937982 2086823.52925056 2175669.83792459 2223945.45564926 3283787.120201 2218566.13963749 1639029.56750759 1977245.61673917 2865197.202879 3565743.75959443 1627054.15126013 1332285.82380066 1951051.25550266 2844896.52647275 2691095.00839088 2861101.64380897 4045416.71889128 4237958.69147205 2798612.98780535 4232722.59687787 3722415.55097187 2261737.24406808 2458486.91491439 2517424.47538434 2265470.4893853 2792115.20795732 3874834.30365921 1989495.61666045 3407953.4154545 3574916.57139735 5024774.98347673 3088026.52799104 1825665.85733836 1606808.26801235 1712588.45015511 3288995.11357801 2476654.72780798 1852306.93400932 2003882.77822453 1793531.72659964 1328891.19472757 1521868.00041288 1378955.57352209 1485454.3651871 1662528.526192 1283758.12622032 2605852.92476951 2701842.95187043 2531917.64293465 2587296.87648539 2538534.18001443 2360694.27622385 2190779.33958726 2492953.18251446 56017.97489 77926.88656 69555.42232 134459.0547 56112.46813 107333.8431 110512.9309 193143.0631 175923.948 2801131.37399943 2822275.03709507 2567693.58033916 2471014.40920706 2362819.30160349 2380573.96162676 2124086.89394153 2356452.10477945 1974223.72961091 2238575.00376552 2424965.24653577 196956.142909869 193936.871327361 1084830.99562391 981021.435951872 897697.657794663 1097645.97407253 955472.97593019 961294.497440706 Car(10:0-OH) 844497.32355157 286644.948117613 690098.245323581 649820.807201106 372142.273096331 394486.126761974 534075.479839273 428386.095931621 987587.364387909 562400.368968008 308135.06775459 224921.94860456 798810.439362112 998934.096809273 324632.545945036 333535.950816879 429391.963711088 353283.857197506 250360.851678001 196644.040811425 335513.025779715 397509.619452782 272717.89002593 463331.964585782 463401.06184267 247810.2524983 556730.453230921 162152.191019764 245066.73038642 233403.529171166 574686.311903486 417031.870171321 547744.630132975 287286.064794059 504109.444860353 163633.731952128 683839.02519412 404037.520182179 481304.449196054 549267.139671654 685249.675290682 337065.550213228 226552.500107059 114914.673515855 226012.176236459 593586.033410588 189475.752457803 153720.168852402 453762.953183604 159475.344719482 451458.567407572 436239.798364304 459420.754002579 465832.075492468 448200.556406404 471146.622935162 460544.747004834 451903.739594036 nan nan nan nan nan nan nan nan nan 1864335.13432009 1831046.78819885 2015965.01461163 1879138.63497196 1942592.4498529 1770214.64256213 1907843.71694829 438842.92346142 475522.063452758 473969.965955228 435424.085793319 170644.696202895 169960.241210804 855424.120433119 841079.120213798 758713.400128771 687615.598032054 608391.653945058 579716.463917676 Car(12:1) 4889871.39608382 1725538.36065829 5043717.68929719 4354123.3884801 2177783.94926081 2739051.16178653 2783762.13887017 2466264.23423771 7779333.26182683 2536569.41535315 1297810.23352515 1631404.12476917 4583002.12360847 6698409.09420393 2022732.88881322 2045716.60120707 4522757.7568709 2447381.39946973 2853718.11646706 1477993.69829853 2697773.28292473 2968511.26211463 2424684.91963531 3434150.37865438 3873727.50769688 2448129.33152844 4215037.94041505 1542397.73721229 2634270.12749092 3167241.80282649 4782385.3209098 2309977.45872442 3153521.94764183 2229995.96605371 3951372.64161607 1312927.12842964 4462732.79271663 2338254.9045372 2902003.50860617 3110505.87424808 3990799.59300836 3945774.10076394 1465764.13882288 993793.95671736 1574261.71121402 2423444.16260144 2589670.19618146 1509934.1901633 3527903.65149453 1813775.36657854 2768421.36923743 2732422.32871983 2930720.73279064 2803476.18037673 2777523.62279681 2793665.55960479 2789106.65741073 2793972.86214913 nan nan nan nan nan nan nan nan nan 5326243.03736605 150035146.556714 158538786.667366 5438669.13991682 5345324.6617273 5420788.98884519 5486249.08109556 2768261.09363205 2851359.77009463 2743479.92887217 2836674.2468284 202989.23773285 195748.891674115 1690449.37155028 2029125.18479954 2518847.97205153 1924010.97228553 1893527.86913688 2031754.60531632 Car(12:0) 19118416.5006182 5717703.55231815 19507683.8923746 16710212.04039 9610898.59690969 11425398.059884 13574134.0449676 11277206.2092857 25612998.4694186 12323992.4149452 3684211089.71644 6628236.461893 19257250.587492 30720815.9815955 8321363.27083329 9652545.97047644 18705547.2114694 12887067.2939252 11882742.4153857 5892492.11732582 11656282.5318883 12153732.5644655 8455754.17880424 15783196.003057 15982900.3094157 9679068.56317334 17942744.9201998 7197587.68119088 11126602.0966849 13285763.8174282 18969328.0708145 9713621.99823213 14914938.1283979 8213283.12247291 17255785.2933046 4667357.1271974 17332150.1352043 10029862.7272173 11833141.7360123 11682900.1949325 17636480.6474165 14562003.7164966 6048700.74575374 4252864.17719623 5730984.97920735 11453033.7430702 9748073.35249091 5273508.17676545 13579916.7310468 8325558.32704779 11740183.352737 11687016.8093916 11632607.7011391 11348614.9069185 11589723.0727276 11604847.9198492 11573047.0988181 11481396.1803801 7739.348395 8988.436314 9712.17172 10303.84727 nan nan nan nan nan 20677657.8494521 20621811.3368275 20496095.2361948 20048665.6727137 20661433.7944329 20748695.1695198 20752715.3959207 11879443.0841805 11714988.4565376 11653890.6748612 11601543.8401172 362251.016264552 370597.645557389 7996122.94545802 9664378.83929706 8868251.95940425 7198014.66133916 8943463.33807809 8125363.93381318 MG(18:1)_rp_a_b 1527728.96531461 2256977.66108657 3969258.47024339 4198765.13466661 1805358.7293745 2990546.16054257 4022505.02285148 4175958.83476243 5778019.15389343 2193848.2730058 2912617.33400916 3308630.19774113 3686554.66338723 4903817.85911851 2698260.71222213 2256099.15132247 2983414.39682452 2009386.74930104 7263274.24871696 6195090.77764158 8795526.8165445 8679683.75326808 6379101.83360489 10165531.3431454 7501016.46747082 6144602.148797 6038813.78881748 5029997.45706792 7240387.20256301 8241195.82842038 8637752.58986621 5184722.38261007 6514211.85023308 6226193.73625153 12482520.135163 8751108.61654711 3425290.77865219 3368659.20749399 3467443.76964964 5382545.09840271 3906152.78260803 2982340.20861964 4015069.50307285 3473529.54410228 2607125.32153188 3030888.83787877 2101561.422621 2726897.51399899 3010237.57301573 2274532.12787583 4247482.01503353 4363325.53670954 3952881.8048946 4176675.70203289 4174271.01376957 4183266.9317638 4007588.01871709 4661960.52305608 nan nan nan nan nan nan nan nan nan 5395903.5630772 5408830.81656506 4612329.09625786 4686272.91458283 4608948.21322344 4867893.85885523 4539387.08616402 4097381.12222106 3374653.81569313 3875406.03885007 4352446.96381663 253294.364193063 223016.30527714 1888061.92087191 1565270.21305547 1522777.40431883 1732370.20229613 1296098.94614397 1400074.46185328 MG(18:1)_rp_b 1383339.10796321 2128349.44783157 3762906.6018205 3940257.60312198 1675066.87379663 2861841.49598395 3616203.10670939 3809087.98548241 5552368.04687937 2079587.0466166 2705459.71730694 3135296.39877276 3489481.59308349 4593799.35528985 2515834.13828151 2054868.93897538 2786720.24756299 1743673.55891589 6313585.29994501 5515741.39951183 7741961.89752108 7583964.58631397 5557828.12271487 9078875.76289855 6819613.58805278 5435632.16751501 4986013.75506844 4194737.40740615 6301503.70028238 7129973.02249184 7495733.22934506 3822535.76514691 5567770.47978981 5545182.2180252 11071746.1456481 7313508.90196381 2934697.32937269 3095623.45321325 3128097.70662185 5144890.57682907 3621075.42136089 2797112.24924664 3622160.85145364 3218577.39091197 2408688.95102795 2682800.25243798 1985224.88358851 2596406.66315494 2809910.98346332 1977315.60936795 3747934.95007932 3886658.92273536 3538393.24279727 3773537.2609061 3763308.25114976 3822175.55671162 3678468.75421875 4333559.45099204 11105.08296 17061.42897 10490.27455 20720.96627 6458.868971 15610.00003 12084.77873 17565.78168 16581.54998 5271446.34225181 5284682.70299724 4493162.53243344 4571461.2215511 4504801.85663975 4740367.61852188 4431218.78476303 3646297.2981544 3021493.96117528 3533352.18307397 3998569.6371989 214264.597892664 183885.442587972 1666166.50231892 1343653.51661321 1359166.16086097 1597735.52449029 1146617.75103862 1266628.55149237 cortisol 20541.3591899362 21017.272342396 12731.1305039812 14528.4271925497 19134.3541232292 22545.7558809996 22398.5662252862 29082.4845731332 21049.525351048 64876.247422908 5135.15496193828 5430.28256122614 7066.77244094166 6456.65446941458 4989.0046883117 5193.68227076551 8622.47682669308 4349.23010683097 8516.20542104684 6225.37881107017 28203.7262550579 19409.7100686303 12684.3587691005 38066.1992736931 46694.7758806985 6050.24433837054 6161.45876253244 7835.10459496505 8426.82720034087 8279.02560494503 43678.7659270472 32807.0828399452 21582.6504447824 24680.2996682967 32386.6965575683 22574.2678719189 25710.009742689 19683.0174599922 47767.8330606202 62072.1924132317 6736.6223793211 6509.03223051701 8179.54923982639 9781.8411172368 12959.4909845555 11816.7660545826 6734.08681771822 12152.4943020576 11085.1538690286 9055.20370771635 19438.3974382988 16872.4219768372 17109.8340664547 20161.862936123 17920.9742040593 20479.8348719192 16080.1802604718 20918.0530482451 nan nan nan nan 9542.829758 nan nan nan nan 8777.56859885077 10096.0542695785 13880.6810511765 11849.2200485953 18610.1564336806 10239.1872419247 18072.2354531289 22109.7023383145 20184.6765293585 18395.0693873499 21590.8801644468 14669.5521021284 11357.1447214338 25422.7060794082 27190.4632430071 25018.9044779698 19949.3455862447 18361.1042391648 19130.744303071 GMP 462203.092095392 405956.128243573 193439.805594975 200530.807905289 309736.796976268 386015.794537197 453339.309914333 439520.665083492 224601.08810205 383157.396026134 283976.545697751 177801.99998785 456130.833230491 413062.70053927 292314.772820171 372510.221551709 338998.895184377 329661.877222134 372033.287304746 229530.081099489 454576.274599604 468377.593492276 356290.744947501 274303.218793896 262116.49752701 245862.15211858 458291.269374063 616139.706695649 272339.044558911 231782.355586308 371572.698480965 401462.399167286 456428.548114076 380574.781305796 274427.955215398 384203.282730263 395426.844992911 418143.105492288 372348.307101981 300708.883354666 272637.607538971 162699.948237241 181961.322438708 136814.934364668 289681.812740377 367629.279859907 216291.194924859 148683.347514994 225272.090968669 292513.077693938 348081.22266169 352154.052477653 375296.740395091 373996.873119461 370305.155419339 386637.699479725 394810.410123246 395873.481406747 nan nan nan nan nan nan nan nan nan 1661503.25644459 1578392.39473937 1492420.73179664 1462131.63834063 1397780.91820817 1440886.25908563 1439256.90706671 361803.602643478 353947.696577677 363470.567058266 403802.948541234 34868.8061283702 37461.4611198149 503352.702950236 482533.733546028 463779.163549696 450044.968042235 441215.804556394 392364.835094901 Car(14:2) 6729115.01391631 2900609.75491404 8058851.90548457 9106566.4348257 4502710.79115253 4074401.88993752 6213207.95464426 5347662.36433595 15543234.6264549 4523621.29978228 1509566295.21234 3718727.10408536 7765776.72173317 12654843.7681128 4162042.72055839 4025154.87606492 10497925.5737228 4650623.17747247 6283790.64177764 2962523.22316108 6820442.61956348 6936599.31623846 5279233.22525634 8114638.24138009 9542003.32257336 5169186.91813403 7908429.54976669 3590900.60215441 6787616.81376525 6699370.54254217 11059641.4230397 5757472.91833649 8516499.57530898 5253365.96735157 8585368.07047306 2603195.36888807 8765144.82121453 4694220.24478946 7417940.02110561 6413228.70594641 6857332.52831619 7405479.30674802 3157847.4551717 2106360.09346526 3049034.65100157 3679801.43774527 6286383.76939779 2881613.20245525 6675878.36478503 5127366.31096246 5794345.57923675 5694158.29704455 5607217.78268179 5596471.62610322 5676467.45845104 5538957.87438447 5518210.87892845 5456711.77609509 nan nan nan nan nan nan nan nan nan 15617695.7226486 15548931.2670056 15822729.8073586 15244710.9483349 15586628.1773544 15518859.6429352 15566860.0161368 5803864.30231041 5664646.88017577 5718510.33330798 5501381.98546208 140295.120271508 142896.933297989 2254621.87847026 2953135.84619638 2595928.19712505 2620904.18051541 3545011.18560955 3238283.20770477 cholesterol (-H2O) 1313095.0448927 973688.31129906 1440072.30757894 1273749.63573037 1263657.54199571 1270145.57831562 1166956.39133423 1204493.3485373 1479095.84510642 1351034.34272505 705084315.472122 1199769.06120545 1434073.6824317 1858117.83882155 1107083.7561977 1229030.11784382 1427234.33671454 1121194.65213847 1222187.14395502 1077353.88870818 1147713.533181 1282640.05992426 1121284.82577237 1522581.34124029 1539475.85359932 1175327.24845449 1219462.51016959 1092052.28371808 1366700.68775391 1300710.6661811 1403045.83434728 1226223.24590484 1371190.5676843 1049527.59363545 1264468.92070343 1036036.12733325 1151558.16261119 1095979.02467039 1157209.36539096 1311387.73606441 1421960.75966196 1054044.3306766 927391.954235548 976457.246766975 990105.957094106 1076612.14607639 1023490.27410742 1022067.96442776 1196078.83305297 1022764.82456864 1131906.1743775 1076778.92521444 1082900.48251769 1117232.49345742 1144812.29249073 1173931.37222906 1168974.46156624 1172936.56255263 nan nan nan nan nan nan nan nan nan 586723.591230053 539610.630820859 565709.185016772 555648.435859523 559057.38685795 559668.178463007 562535.79902205 1142795.88202834 1113620.17956234 1195050.07625462 1174049.09559399 1185393.59176837 1362305.51061219 841667.576556583 1421204.65413544 1074381.06176845 560097.93624426 1255160.84130767 1161598.90224356 Car(14:1) 28269306.8114086 8128285.83843021 30623883.2704141 24536594.2261327 14527470.8304573 17663177.1212799 18589892.2019799 15336435.1756346 42214360.0171204 17118515.1773368 5091626442.02015 9336920.97505155 29166553.6007719 50478372.1144244 11552386.5794232 14123924.3791915 30870841.2900667 17526085.6008042 17222256.8949723 8018229.21519927 16960620.6123741 18861617.4238566 11163747.0653145 22706547.1738481 23340517.5545513 13705879.104522 27272368.1046586 10444256.3763807 15258488.0434944 17418355.2443891 27016795.9166444 14147753.8262724 23168626.0360706 11100786.9592845 23741660.9905534 5600774.56109436 25974554.3111616 12649451.1269554 16429776.7042409 16446065.8854517 25655338.3820403 21254232.7836624 8297606.08249202 6281880.37268035 8079885.5821967 15787380.2576196 14730065.2094786 8476571.98194971 21019492.486159 10652321.0871615 16760517.2634004 16838783.8560617 16047333.7114922 16306758.1955303 16662385.8973098 16536169.3023677 16288408.8715557 16320492.3277871 6262.656223 4331.833044 5648.877642 5658.838288 nan nan nan nan nan 39636609.1163169 39969515.1074693 38705324.5711721 38545288.1179904 40054600.7018146 39864341.4195874 39475235.7216666 16867593.5995672 16239003.4917654 16738075.5843627 16379960.2550859 515446.596052025 522168.647884495 12270235.6401 13546581.0743586 12560506.6702947 10829435.9838206 11692091.7640223 11196838.1591367 Car(14:0) 36641453.7844962 17834571.4269026 39712665.0103168 35772697.0225084 26624645.1588049 30175766.7747772 32391248.102186 28450290.2361689 46281964.0604156 31801027.057475 11119805649.6182 19463137.7258281 37291017.6515767 53267663.8908515 21322563.7877707 25156854.7638884 38373697.2114068 28663130.7416622 26626147.7372974 16369846.2118742 28487257.5561544 29684267.5001931 22441666.6860735 37061117.8743915 36980579.8272731 24491442.4819251 34981137.8852964 20425566.7196901 26916520.3103625 28904068.1279605 39005910.4777803 26855422.5937955 35354963.9206579 22446890.2044 35597050.2481814 15006770.964009 35137424.8399398 25193307.6028765 28497597.7313874 28220412.4215306 36447810.4750686 30073029.4831821 16998244.3416092 14402561.559746 15770035.4543162 25142473.6454329 24134783.1681785 16244220.085363 29945278.0547065 21170413.861938 28238978.5336961 28052940.4250648 26686525.6685066 27350176.5723538 28248209.3362463 28797241.9239596 28589981.0800282 28754894.2759112 27763.5831 27937.81478 21584.02076 22221.15926 44707.94718 80900.56549 55658.17822 47643.49893 45133.8739 42171261.7084401 41965837.9204251 40700759.8613486 40748572.2911699 42669260.9332898 43157158.6453283 42932181.3785633 28487782.6127591 27150798.2071356 28838648.4622185 28784466.0421543 992903.649630645 989081.587748701 22695902.4323943 25519334.0012984 24434804.4906195 20653168.8869938 24690300.6782857 25043460.5912911 sphingosine-1P (C18) 378602.781601399 367373.690307048 414136.223049088 467355.084199555 385913.713506818 400170.679773887 437044.845034657 445396.936747025 393850.769438404 374904.321718594 370525.073448327 349707.039601043 454275.544075855 437106.021263764 461224.033630946 380587.807532469 436593.685898451 367377.387234941 313346.555732771 244382.685169677 286642.409688874 296284.977614372 291473.275228953 230598.511062037 246780.576683534 314881.714575533 336709.056943368 341735.651160633 352386.216769399 284880.423867982 329720.604844386 383249.182986098 345236.404786918 304985.676391225 340350.09304615 430090.947253346 550910.221135887 535181.627852897 478400.985037188 427857.000435221 496078.692632285 419376.509943562 589169.817748649 491463.837720558 782469.445069523 476578.311680291 454658.293915867 514336.782082309 517131.070822536 478305.263687587 408364.627023923 394422.29819977 334635.941086298 344059.419146487 399684.577849812 360187.636857708 386883.269438905 404327.190468411 nan nan nan nan nan nan nan nan nan 416237.402763164 443618.154735604 428120.441104599 438859.378691504 445807.385556922 447950.664868613 412016.058310023 403346.257221502 366331.508419191 410206.309605132 381038.210757482 179898.41262555 165561.780795699 683036.153376867 411172.940748317 629398.578683793 789340.229133919 445659.260962024 548606.533854926 25-hydroxy-cholesterol (-H2O) 58093.6243472249 48069.6965151262 66588.4410765613 60182.0466002656 56368.6452174802 56059.3258518938 69220.5861660526 54499.8397508627 66401.9407920173 55881.6890206868 63687.8237424628 58406.0950462843 58445.0416307911 61419.5659627906 55719.025336065 59784.7242864919 67931.5382533067 63842.4970059148 50082.190723115 62424.7329165837 42994.4747697226 41594.1959378288 61013.2017798966 51548.1219303413 54255.0699029027 64897.8993234651 64011.5653621977 55151.7328514903 57634.2620363927 53112.7735000649 58154.0137852813 49297.8609070616 56327.2463655337 50316.6632649411 52348.3198806489 65779.3123409452 60529.0371180936 79982.7906331726 75433.4309730991 56576.4327800003 68250.5330449677 71954.2820642184 75757.7654127336 70195.7863677514 79575.3102627956 66743.4895058719 63979.5244764883 79909.7539262916 69954.1224303953 70756.2645358296 56889.9146264376 45212.379958926 45292.458629094 55074.3519713288 49489.5667672688 50485.7784459537 44887.220674064 61006.3280979918 nan nan nan nan nan nan nan nan nan 155011.610813606 129651.796555624 141556.191162355 162343.770023885 184051.544073806 148708.350510522 138451.116115444 53214.9448189369 44750.2776074494 48926.757651036 52073.3644564477 111045.831016703 107988.717753996 135590.287491051 97220.9350672921 108001.725335982 221148.877834425 167498.404885238 147489.981932599 bis(2-ethylhexyl)phthalate 1376633.87490718 5022184.42432239 994873.161917463 1152087.56982381 731517.484627601 1051518.40879411 768210.908675017 1132830.4215383 1130871.90932176 674078.743635781 635848.152943684 566839.230710785 729193.634297207 756618.13510968 816738.89930807 859972.710027274 1034608.67562129 1023857.50678396 2005658.69215458 994343.054598796 1351719.61520299 890443.040896563 981790.209952782 1120151.0994049 873995.271592236 1161011.87645364 1112381.33664184 847355.591945937 1158929.93157727 976644.245165466 1204516.21049142 673266.075052249 1724732.79530287 1008094.43736578 1476885.46535888 940731.770287179 2667891.8919582 950052.063293762 1364897.78946594 3890576.12198082 1942147.28871108 1240657.5416736 2903505.60866041 1236677.38584208 1196983.07754224 1068385.22527765 1173205.72911594 1170101.15515787 1067995.39240218 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14982094.2098285 21316657.3415193 18282310.3456209 20834156.6106084 24353813.4121121 20222491.2891612 21984331.5414156 LPC(18:1)_rp_b 24829286.3382555 19714102.7969005 28164245.2460256 28399543.657816 26362040.4084094 28742411.5470022 24173952.2449117 22694673.2101128 29712198.5029229 20852310.7233939 11375533181.3202 19570335.1899071 25511858.8452356 31660371.100278 20706782.2409201 25358152.5716416 27694758.7855713 20660558.3599485 19505223.101145 19656022.4828604 19575170.1065133 21941287.3916688 16119679.1427187 23777795.3956426 24196525.1770836 21461444.4542409 23462127.508935 17805839.2797001 21508557.5309845 21342531.4836631 22372473.7284815 17410096.2361831 21831425.1341686 17881007.8241069 25068838.8354909 19165231.6614131 23764914.7699975 23296984.7258484 22063245.9315855 23562238.4376708 22303365.644814 20325776.2116608 18490179.7904379 19051032.2656251 18047821.0859109 19265268.1473538 20331829.1164406 17284052.8801204 21964504.4867479 19914040.4926079 21643951.1587523 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71716.96422 45191.73644 55702.02951 63673.15198 56347.36735 69078.64507 9881785.10352986 10003388.6025135 8468517.26018714 10510390.4286784 10372103.1338082 10276770.39112 9498728.2059631 1640607.66999449 1510239.26674413 1694156.62370733 1436168.31884005 1852788.50115744 1724519.36469073 2702120.42640593 1950576.76542253 1941537.50858379 2317832.6368614 1535989.27056511 1632751.74460544 SM(d32:1) 661504.704850546 554442.907886106 690306.581529276 631485.328060562 672519.133731581 713909.054097462 542786.912571526 483992.527907143 708907.906760341 627944.216718465 579502.719000683 561863.66883037 478864.630187437 487751.110408118 558224.998450567 632387.337561972 499292.606624629 508533.865875044 563016.5147593 465026.600831967 427514.933350763 583426.942094867 631121.646291171 514303.100309612 469854.267868727 451475.749584424 401408.050720634 526640.719630745 677709.960512822 368365.402965622 572003.935001642 523852.807946713 635044.508280776 553818.339639927 572054.607743724 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2214464.9656806 2790987.59684342 3442470.83225497 3351311.1440616 3169597.65436778 3259438.85165077 3463765.73875638 3486007.91647297 3420923.58596552 3470001.42871242 3211269.15582836 nan nan nan nan nan nan nan nan nan 6682603.27504363 6487396.75107608 6621631.88654724 7146059.59057791 7152919.26157983 7240808.69562718 7439054.43258298 3446820.68505361 3108640.77200824 3380532.48948648 3782713.98826848 429977.151897605 376099.979173334 4603983.3934463 2906857.45624535 4336590.88523499 6468248.21766044 3457612.50303367 4393668.91106926 PC(34:1) 32087975.1759627 23786079.0722663 35410133.5886075 31376499.9045082 30710598.4712337 31888390.9003248 31351416.1541075 29062287.546216 37059368.6298762 30411893.9451215 16050278008.2586 26354771.8396136 32704712.1926479 40521793.4285266 24313683.126217 29196403.7836617 31470212.8012583 29462531.6678796 27124393.0821796 24030276.8643941 27033416.2351864 29270222.6868031 27190586.6213547 31966574.537366 33143766.4553636 25702300.8267598 30427354.4402022 26117084.333153 30947468.1074412 29719480.8103541 31844530.0971652 27127713.0459977 30490249.6841682 25017826.5462824 31571100.8828638 26590266.4408262 30603117.9932177 27383020.5050204 28727700.8243392 28396779.1099075 34137824.6175728 26555882.3063801 24865886.1641348 24689337.2232358 23571269.3587766 26157395.8691689 24323471.2156142 21846287.0555513 27209779.3379855 27380815.8498426 29937137.8543368 29041780.055651 28333041.9545628 28980594.9823921 29699452.852461 30346093.0040916 30473527.3352383 29815756.0701472 33246.49968 31581.91552 56975.76908 40480.54246 60519.04767 121588.238 60591.7352 34744.35011 25033.23263 17971142.8757298 16343387.3786139 16157871.3897338 16019848.6585617 16768952.6396636 16962710.2636253 17127703.4762454 30329670.9094781 28763768.1078607 31065894.6548168 31131644.799266 34627931.9715409 39661738.213696 24927560.0306345 36287772.2660283 30309722.5574007 18150499.2429974 36852494.7996651 34330737.4097848 PC(35:3) 367075.662211824 585376.413435776 499361.765179775 622459.919734044 469450.766680376 518682.735425672 437924.918113191 486180.144548439 507065.230079795 489839.621703669 443252.848059175 360708.510958865 430156.563765471 312494.868325811 479981.092841872 424213.197899927 532477.827123233 379729.355808439 428262.959878359 505554.686242254 470843.29767076 483610.628940254 499404.363953552 349564.397592283 442500.261527407 491983.586278353 474512.275806562 526984.172797266 559056.960382561 428521.295796024 438195.27830205 472414.117879705 292687.11611929 429430.269758508 390666.458410566 509120.803703459 657381.20350889 510885.155030446 511487.638905065 439526.406545604 276237.061030718 360034.155400477 410687.478752573 519104.583167365 454385.509092152 368712.863445182 319711.377894566 500750.073524662 466788.54400634 439894.364750441 502963.233223406 475237.297719581 518216.558145602 455489.26151477 454185.010972955 437948.463175726 525729.37946205 557145.676964274 nan nan nan nan nan nan nan nan nan 675475.809883869 760870.002715394 691913.185146773 532277.073045505 693968.584322176 570604.74011045 602269.230259503 491806.538838398 446430.847780722 434159.993069014 474722.778425023 1744538.27357749 1636381.67229697 502704.635664798 515922.041063575 582416.031230777 497869.645027731 452259.590850983 577133.706782861 PC(36:4) 7429683.50187725 8060543.17190942 9951641.65756571 8234681.58059719 9399166.47277374 12529334.7755899 7708485.77750955 7394876.86305138 7832468.38127748 6866588.91226791 6669569.87634757 6142491.86369897 8797557.56572595 8066211.50160815 5740465.79581061 8612996.92823018 7063739.52592233 8010994.13371107 5700469.7708354 6831840.59164344 6795313.89421307 8730710.38685261 6727826.09881888 6048608.22512234 6761715.57077665 5196155.12630075 5628454.118175 6091944.37157303 6151846.53226173 5825071.73562753 6089814.63850095 5812794.76720343 5718227.78459739 6480749.2535932 5441179.26891751 6164769.13300607 5978817.0512984 5248502.46566333 6750994.63371393 5918874.91163899 7115994.06844666 5637018.50941913 6604583.66454525 5813864.50710187 6040434.08332861 5343513.34787073 5670785.0994141 5048404.97997794 5208169.82398982 5526749.30694347 7717501.16788838 7497467.49149848 7716290.05906125 7993829.02516102 8145443.72747574 7880743.2728087 7949112.44908416 7650404.25903474 194147.5973 158089.0784 326302.8876 217099.2493 319138.0667 997609.544 320774.251 145239.6593 122076.9043 8082700.13031667 224400303.896565 238130963.458105 8533611.65329716 8501964.55089422 8364428.77637392 8360612.76782587 7667403.45396549 7722630.12734374 7945716.05130738 8244660.71755323 17401480.8044887 17180818.9604409 10871583.3616485 10721836.0981153 11581363.1833024 12761152.0755968 13478210.5243476 14554827.293829 PC(36:3) 13307481.1925848 9623004.92964599 15519885.6638839 12635500.1120808 13707423.6611088 16083144.9858184 13309826.1904875 12505289.8976165 15063734.9840418 12224988.409135 6644073863.34492 10814043.7777113 15988003.8818685 18917846.3573442 9317072.88304823 13760963.2199727 12563525.3717993 13311625.973904 10032506.2078008 9606222.96818126 9713888.23068382 12774904.2260179 10379779.9964042 11979041.0410904 12399061.7982109 8794882.20815401 11140025.0772995 9914677.05116619 11853214.1647227 11774880.8563243 11305384.6377003 9215776.17675175 10690325.0572148 9005615.05465768 10635216.9003143 9080222.65575395 9560450.68371363 8009888.77186027 10348733.3071045 9680309.19974679 13998032.0418136 9638591.998605 9953706.08270145 8603092.2463927 8502296.22965439 9399281.97335796 9042653.88027032 6776577.38279494 8992534.231353 9870998.25718591 12754197.7803795 12287862.595523 11886845.465634 12397500.5091007 12618130.0009871 13047841.3815325 12552545.0780537 13025700.1488226 17267.73128 22037.96407 31036.45428 21867.31904 nan nan nan nan nan 8653050.0329293 8080699.52196065 7918105.09226717 7817025.20726053 8202399.61431522 8205567.46690616 8376055.39087292 12981502.5611032 12366873.4600257 13181816.4112329 13449259.3196205 17180257.3103757 19993063.9295656 12368912.7010216 19190038.6369088 15256291.4205448 9847516.19949098 20995106.3671823 19279062.6423793 PC(36:2) 11798515.5514831 9448951.18666323 16273759.9976467 12481398.0372209 13519820.4861435 15617502.682382 11865337.6946554 10667897.3246402 13843269.2802915 10635367.3402766 6452396237.46226 10034271.0047617 15529383.2583447 18058565.8275496 9250640.94770861 13184513.6405124 12993678.5066691 11987381.0282029 10716552.7078918 10289985.6500376 10107964.0922946 13631979.249212 9924930.96622034 11897608.2896144 12641003.7694829 9419285.89641697 12124909.4611697 10419570.5929818 12058717.7364646 12579928.4933051 11628014.3808625 8950486.88596407 11004583.2103135 8641239.91248303 10463685.4353942 9066413.89559748 9432921.26084105 8186429.01162516 10510358.7807627 9883557.26577153 13646383.5983599 9316421.04249432 9437021.11716676 8865701.12962946 8575883.09824151 9259137.6600204 9327584.28819766 7088631.72471368 9219392.21865803 9551507.11022124 11522854.4030947 11058281.5964878 11229717.6189837 11374799.2375928 11566898.2598764 11698720.9361178 11623944.6012748 11516065.4639618 21259.16491 33338.75797 35768.752 37760.41534 23515.69454 293638.1846 44691.56797 29521.22899 18984.23566 5870949.0342254 5370116.56224022 5593468.56161575 5419244.20412323 5615161.1872977 5529128.81021434 5592465.78934382 11827978.5654435 11318307.661957 12154987.6883013 11971542.4972576 19817636.3506024 21970774.503508 10915260.224372 16967285.6126765 13413408.5504577 7844126.18887081 17933305.9332552 16214301.6166183 SM(d40:1) 2356599.75575698 2218150.69908309 3021178.04952184 3187958.33171786 1327770.56857986 2175423.12809723 2715151.54441652 1523842.72522751 2771006.87751854 1242531.05076787 3308982.78108892 1734838.34752372 2119766.01311591 1653690.48965621 2255967.35515607 2215200.48505216 2888659.26002462 3610134.65484099 1912206.77674134 1954563.85333789 2502128.59151246 2523252.10852519 2383195.29422952 1868264.20451104 2035445.7977605 2600914.06592341 3148756.88167493 2894874.62112237 2670568.76281198 2524884.52271663 2188491.66829715 2586359.43848597 1823209.20017036 2156446.35495012 2282618.93864476 1709546.64929799 4399152.16961512 3836375.80996167 3891399.63668715 2216711.30531097 3506476.37530475 3918735.89268192 4718026.24840095 5021042.30076715 3716110.90159086 5328876.1060325 3051204.84915502 2755781.25416807 4328217.17045678 3360740.87895347 3590988.32586015 3861833.1764667 3394321.24505659 3478789.23512334 3512760.17662216 4329928.29861391 3587208.14097454 3309655.61254142 nan nan nan nan nan nan nan nan nan 9119107.53939596 8928780.44456893 9332702.68576179 9160680.22837006 9850778.05602022 9207331.43303729 9762626.73713696 3225500.53389846 4383573.99783478 4414418.36882056 4139859.82681074 1063713.17757159 576842.515968577 3456059.68677148 1411173.18073252 2899885.5680435 7873478.71856081 2590620.48194199 2945850.9858701 PC(38:6) 25999117.5619853 18082385.0570747 27057093.0992131 23817151.5753263 23718476.9857566 24109493.5396524 25952922.6720954 24606539.5573443 29838165.3863313 26226547.9681419 13271385908.1577 21843681.1020479 25455582.4468284 34357088.9725723 19669409.0378332 22484355.8993987 25243457.5968083 21863141.1909699 24562921.368423 19912252.2419906 23323065.8568018 25123597.4745224 23449466.0590565 29989833.96655 29947932.1533552 22441064.7186633 24749747.6834912 21810983.1081098 26367530.5739509 26031487.3203813 28967266.5889187 24210755.6342699 28084215.1167311 20869320.7218984 26490918.6040825 21211566.7321904 23430385.0099554 21229989.2997822 23276280.7422474 24716242.478378 27136270.3186011 20872363.444838 19604173.7745231 19898360.8590777 18942234.3753086 20203213.3077003 19443440.4141391 17763826.2701507 23163928.860254 22872615.6766381 22400644.6472556 21294522.3103056 21032720.5466225 21449876.9278188 22251455.7162699 22805653.2577463 22838506.4274933 22763006.1780239 70258.37448 61593.88567 129523.0469 83175.66917 nan nan nan nan nan 15586403.8505347 14647171.358876 13892000.8785348 14221623.5791669 14883471.3394833 14917323.8772826 15057438.8627066 22567599.226316 21484850.4643016 23074366.5683005 22878865.9206368 13624560.8972784 16757476.2933671 17912433.0675979 29865228.7106636 21899658.3223649 12807983.7319736 28125078.4677796 24982993.8826873 SM(d42:2) 2650681.79066791 2027411.6615473 2273623.16636585 2520838.28662289 1811653.16409832 1740042.90957362 2261136.58311817 1393352.63562129 2242019.86019935 1287395.90426227 2199028.14593259 1521929.17928587 2041588.7822366 1774904.63413669 1436172.87490367 2169595.26902092 2189882.89234513 2973305.35348394 1490101.81473007 1352394.66574358 1574467.22394115 1620832.38879047 1944897.03014592 1505190.026408 1567003.72549643 1970692.6443532 2081031.16421249 2297590.3189442 1944361.81424457 1979675.7383074 1619061.47145459 1898458.20463808 1558835.60287445 1642125.47893402 1430651.96417015 1457157.84022854 3212929.6383949 3762325.97158693 2675193.6286742 1750916.03079015 2853383.80382986 3264005.00559293 3377962.39572508 4386717.95869723 3595519.14181889 4453376.13256807 2372390.44033263 2872125.0720032 3377154.42865136 3343204.08233668 2805333.33294515 2671492.89319268 3056879.97861405 2691864.75646776 2882066.44818216 3007965.39416885 2621089.23313909 2153616.70875912 nan nan nan nan nan nan nan nan nan 10915460.1701194 9541170.37271651 10466088.2541372 12154864.0086733 12787311.7239007 13214651.3011473 12724883.4994994 2343816.74407873 2973711.50993199 4080905.40898306 3101489.46608394 1904643.4317713 1659449.81114575 2318419.38570257 1002844.79411334 2538372.82650387 4925805.41392071 1805683.336717 2673157.01071337 SM(d42:1) 865439.8147949 913908.334959754 1397872.62186745 1348999.8594405 775539.857260107 791166.940933042 1445516.00801923 1204616.70513016 1070906.889423 685419.895389104 1224687.10781213 955583.24469474 1065539.30183993 812706.823248359 967676.823479573 1459663.51650246 1165445.21974904 1669956.70611521 1101463.23565085 780051.13703003 870058.599234371 700695.552746135 997109.630750869 848504.767323842 894484.360803854 1142164.13106778 1013995.18297258 1167618.18662167 981336.725005342 808013.249142176 969894.181732938 1237366.76084362 794045.464913867 966232.374649332 890862.695996853 873983.728193552 2574201.6238655 2315659.04692314 1528263.42831794 698864.156493554 1482978.31725618 1379543.57391763 2120649.53811582 2855223.96932965 2005133.3111912 1950223.78249441 1227251.69724038 1827225.99344359 1599715.66232359 2137218.32803523 3951235.95369058 3388268.747876 1526196.07800213 1756941.60331772 1985073.81921404 2046713.74888561 1870453.09712561 1355491.73513345 nan nan nan nan nan nan nan nan nan 4889959.05437909 5071685.63494551 5577453.1527706 6694987.92908586 6732715.61554939 7676855.01889927 8388124.14579507 1500870.12810372 1455389.86188791 1769692.64605302 2617622.50122553 385959.27864375 377050.849978504 1130734.06031703 539121.406794912 1810920.63590708 2485981.74264667 996639.76348886 1598001.79346128 PC(40:8) 2217335.77337959 1837515.49625747 2483981.35174032 2242978.69808327 2395168.80402015 2026920.35760419 2405853.09146006 2448043.42642207 2676001.31408919 2973777.75832066 2067259.88211213 2317331.15843698 2398557.63077898 2794053.95660592 2237702.69795765 2083292.23893347 2859427.69124029 2009044.29662375 2781557.81811242 2297352.5984305 2629782.24058062 2871098.23384476 2383599.36771872 3633429.1786442 3251490.55704907 2897048.44183053 2715950.25082605 2396634.57944591 2997707.44603674 2883569.98471183 3262285.91293384 2862938.44974896 3318757.57603169 2340029.67772542 2991404.88875366 1849548.84461573 2386058.16659571 2105871.57249685 2288738.46152547 2789557.47867747 2725935.86320207 2096104.07832342 1771594.27409755 1954473.4152753 1968281.96304894 2102367.67037313 2180051.64674463 2118787.07777471 2690585.16352394 2176625.62644317 2128835.06021659 2103334.87314496 1990545.54744669 2123280.23868068 2127826.22562707 2161385.86433595 2071610.96836073 1919541.63251049 23721.17195 22286.89816 34706.6885 19753.15865 22542.25747 114026.7825 31995.83214 11862.147 11918.85792 595771.08936577 542077.901159022 514617.907525739 521590.463086343 529922.180951794 526610.859543145 537063.613217974 2071333.23847772 2049720.58259604 2191738.63142244 2049991.73210671 1101758.89734491 1314076.42316488 1322125.72600398 2337449.68701917 1542765.11267854 810436.584743868 2093064.66270164 1680788.50904865 PC(40:6) 28276587.3327821 21418126.5615523 1328434.56852969 28000417.8675636 27085268.0483908 27155826.0874693 27896413.8311037 26003728.9440331 34199360.086482 28801481.9621025 15664008353.1446 1357242.1931055 1705890.66154303 2028152.41568004 23762107.7800147 26013485.0242267 30533507.0700241 1165577.66375423 28374234.5714076 23656612.5150746 26617146.557915 1058049.1022303 26516851.7710191 32118989.401256 33480297.3312869 1221941.03595715 29105550.8094115 1040893.10306309 1310752.54470341 1479604.71163347 30755883.4311855 27319503.8607506 1317289.08949285 22901495.7206379 1097778.59445086 24993522.979307 27301255.5318814 1179806.83163992 26730399.6651773 28846145.7445212 30938994.5954228 24671936.1358952 22108884.4721199 1174001.40815023 22182512.9275651 1432300.78256427 23734100.3325328 1348353.9806213 26767597.2501604 25584510.8364851 26840402.0738219 25784758.2475961 25128158.6656994 25955398.0843093 26545952.7985961 26744711.3614007 26930649.7703557 26930267.0082912 47054.09481 33705.95432 56401.45096 40254.61309 84706.1909 235921.2833 106052.4363 33073.61943 30109.56314 13202219.750367 12017534.5650861 12004479.2741882 11725572.6318989 12189912.4924269 12056549.0928432 12187500.4475453 27160559.2411639 25850651.9540264 27579515.3914544 27356310.9131067 18718821.1679292 20569009.4469014 20661782.5049911 30652410.4400341 24429448.0179052 14501515.7046219 27371859.6294299 25423523.3791701 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name formula mz neutral_mass refmet_name rt 2-piperidinone C5 H9 N O 100.075176 99.0679 2-Piperidinone 3.06 choline C5 H13 N O 104.107276 103.1 Choline 0.62 2-acetylpyrrolidine C6 H11 N O 114.091776 113.0845 2-Acetylpyrrolidine 4.18 proline C5 H9 N O2 116.071976 115.0647 Proline 0.71 valine C5 H11 N O2 118.086376 117.0791 Valine 0.79 niacinamide C6 H6 N2 O 123.055876 122.0486 Niacinamide 1.38 pyroglutamate C5 H7 N O3 130.049976 129.0427 Pyroglutamic acid 1.5 creatine C4 H9 N3 O2 132.077376 131.0701 Creatine 0.7 Isoleucine C6 H13 N O2 132.101676 131.0944 Isoleucine 1.89 leucine+ isoleucine C6 H13 N O2 132.101776 131.0945 Leucine/Isoleucine 2 leucine C6 H13 N O2 132.101876 131.0946 Leucine 2 hypoxanthine C5 H4 N4 O 137.046576 136.0393 Hypoxanthine 1.32 spermidine C7 H19 N3 146.165176 145.1579 Spermidine 0.51 glutamine C5 H10 N2 O3 147.076476 146.0692 Glutamine 0.62 lysine C6 H14 N2 O2 147.112576 146.1053 Lysine 0.52 methionine C5 H11 N O2 S 150.056476 149.0492 Methionine 1.16 guanine C5 H5 N5 O 152.056776 151.0495 Guanine 1.28 carnitine C7 H15 N O3 162.112076 161.1048 Carnitine 0.79 phenylalanine C9 H11 N O2 166.084576 165.0773 Phenylalanine 2.97 urate C5 H4 N4 O3 169.035476 168.0282 Uric acid 1.27 pyridoxamine C8 H12 N2 O2 169.094376 168.0871 Pyridoxamine 0.55 glucose C6 H12 O6 181.071376 180.0641 Glucose 0.8 FA(9:0-COOH) C9 H16 O4 189.111876 188.1046 Azelaic acid 6.73 3-indolepropionate C11 H11 N O2 190.085976 189.0787 3-Indolepropionic acid 6.7 citrate C6 H8 O7 193.034776 192.0275 Citric acid 1.27 3-hydroxyphenyl-valerate C11 H14 O3 195.101776 194.0945 3-Hydroxyphenyl valeric acid 9.21 spermine C10 H26 N4 203.222976 202.2157 Spermine 0.5 Car(2:0) C9 H17 N O4 204.123576 203.1163 CAR(2:0) 1.12 tryptophan C11 H12 N2 O2 205.097076 204.0898 Tryptophan 3.65 kynurenine C10 H12 N2 O3 209.092276 208.085 Kynurenine 2.72 FA(12:0-NH2) C12 H25 N O2 216.195476 215.1882 Aminododecanoic acid 8.06 Car(3:0) C10 H19 N O4 218.139076 217.1318 CAR(3:0) 2.25 pantothenate C9 H17 N O5 220.118376 219.1111 Pantothenic acid 3.46 5-hydroxy-L-tryptophan C11 H12 N2 O3 221.091476 220.0842 5-Hydroxy-tryptophan 2.33 diethylphthalate C12 H14 O4 223.095676 222.0884 Diethyl phthalate 8.14 Ile-Pro C11 H20 N2 O3 229.152976 228.1457 Ile-Pro 1.73 Leu-Pro C11 H20 N2 O3 229.155176 228.1479 Leu-Pro 1.94 Ile-Val C11 H22 N2 O3 231.169776 230.1625 Ile-Val 3.7 Car(3:0, 2-CH3) C11 H21 N O4 232.154376 231.1471 CAR(4:0)_rp_a 3.08 Car(4:0) C11 H21 N O4 232.154676 231.1474 CAR(4:0)_rp_b 3.16 cytidine C9 H13 N3 O5 244.092476 243.0852 Cytidine 1.02 Car(5:1) C12 H21 N O4 244.154076 243.1468 CAR(5:1) 3.74 N-undecanoylglycine C13 H25 N O3 244.190476 243.1832 N-Undecanoylglycine 8.46 Leu-Ile C12 H24 N2 O3 245.187376 244.1801 Leu-Ile 4.92 Car(5:0) C12 H23 N O4 246.170076 245.1628 CAR(5:0)_rp_b 4.01 Car(4:0,3-CH3) C12 H23 N O4 246.170276 245.163 CAR(5:0)_rp_a 3.92 Car(4:0-OH) C11 H21 N O5 248.147776 247.1405 CAR(4:0(OH)) 1.9 FA(16:1) C16 H30 O2 255.232276 254.225 Palmitoleic acid 11.11 sn-glycero-3-phosphocholine C8 H20 N O6 P 258.109776 257.1025 sn-Glycero-3-phosphocholine 0.77 N-lauroylglycine C14 H27 N O3 258.206476 257.1992 N-Lauroylglycine 9.24 Car(6:0) C13 H25 N O4 260.186076 259.1788 CAR(6:0) 5.07 gamma-glutamylleucine C11 H20 N2 O5 261.144276 260.137 gamma-Glutamylleucine 4.21 gamma-glutamylisoleucine C11 H20 N2 O5 261.144276 260.137 gamma-Glutamylisoleucine 4.21 Car(5:0-OH) C12 H23 N O5 262.165176 261.1579 CAR(5:0(OH)) 2.58 Pro-Phe C14 H18 N2 O3 263.138076 262.1308 Pro-Phe 4.58 deoxyguanosine C10 H13 N5 O4 268.104476 267.0972 Deoxyguanosine 2.45 sphinganine (C16) C16 H35 N O2 274.274476 273.2672 C16 Sphinganine 8.51 monoethylhexyl phthalate C16 H22 O4 279.159276 278.152 Monoethylhexyl phthalic acid 10.29 FA(18:2) C18 H32 O2 281.248776 280.2415 Octadecadienoic acid 11.3 oleamide C18 H35 N O 282.278276 281.271 Oleamide 11.39 FA(18:1) C18 H34 O2 283.262876 282.2556 Oleic acid 11.63 Car(8:1) C15 H27 N O4 286.200876 285.1936 CAR(8:1) 6.09 Car(8:0) C15 H29 N O4 288.217276 287.21 CAR(8:0) 6.79 Glu-Phe C14 H18 N2 O5 295.128276 294.121 Glu-Phe 4.4 5'-methylthioadenosine C11 H15 N5 O3 S 298.096976 297.0897 5'-Methylthioadenosine 3.99 sphingosine (C18) C18 H37 N O2 300.289776 299.2825 Sphingosine 9.63 Car(9:0) C16 H31 N O4 302.232176 301.2249 CAR(9:0) 7.3 sphinganine (C18) C18 H39 N O2 302.305076 301.2978 Sphinganine 9.77 MG(14:0)_rp_a C17 H34 O4 303.251976 302.2447 MG(14:0)_rp_a 10.99 Car(8:0-OH) C15 H29 N O5 304.211476 303.2042 CAR(8:0(OH)) 5.66 N-acetylneuraminate C11 H19 N O9 310.112976 309.1057 N-Acetylneuraminic acid 0.72 gamma-glutamyltyrosine C14 H18 N2 O6 311.123276 310.116 gamma-Glutamyltyrosine 3.16 benzylbutylphthalate C19 H20 O4 313.143676 312.1364 Benzyl butyl phthalate 10.24 Car(10:1) C17 H31 N O4 314.232376 313.2251 CAR(10:1) 7.55 Car(10:0) C17 H33 N O4 316.248676 315.2414 CAR(10:0) 8 Car(11:0) C18 H35 N O4 330.263476 329.2562 CAR(11:0) 8.46 MG(16:0) C19 H38 O4 331.284876 330.2776 MG(16:0) 11.39 Car(10:0-OH) C17 H33 N O5 332.242876 331.2356 CAR(10:0(OH)) 7.23 Car(12:1) C19 H35 N O4 342.263976 341.2567 CAR(12:1) 8.41 Car(12:0) C19 H37 N O4 344.279476 343.2722 CAR(12:0) 8.86 MG(18:1)_rp_a_b C21 H40 O4 357.300576 356.2933 MG(18:1) 11.48 MG(18:1)_rp_b C21 H40 O4 357.300576 356.2933 MG(18:1)_rp_b 11.48 cortisol C21 H30 O5 363.215376 362.2081 Cortisol 7.9 GMP C10 H14 N5 O8 P 364.064976 363.0577 GMP 1.28 Car(14:2) C21 H37 N O4 368.278976 367.2717 CAR(14:2) 8.83 cholesterol (-H2O) C27 H44 369.351576 368.3443 Cholesterol 13.55 Car(14:1) C21 H39 N O4 370.294876 369.2876 CAR(14:1) 9.2 Car(14:0) C21 H41 N O4 372.311376 371.3041 CAR(14:0) 9.5 sphingosine-1P (C18) C18 H38 N O5 P 380.255876 379.2486 Sphingosine 1-phosphate 10.68 25-hydroxy-cholesterol (-H2O) C27 H44 O 385.345576 384.3383 25-Hydroxycholesterol 12.45 bis(2-ethylhexyl)phthalate C24 H38 O4 391.284676 390.2774 bis(2-Ethylhexyl)phthalic acid 11.91 Car(16:3) C23 H39 N O4 394.295876 393.2886 CAR(16:3) 9.21 Car(16:2) C23 H41 N O4 396.311376 395.3041 CAR(16:2) 9.39 Car(16:1) C23 H43 N O4 398.327176 397.3199 CAR(16:1) 9.69 Car(16:0) C23 H45 N O4 400.342876 399.3356 CAR(16:0) 9.98 Car(18:2) C25 H45 N O4 424.342976 423.3357 CAR(18:2) 9.85 Car(18:1) C25 H47 N O4 426.358676 425.3514 CAR(18:1) 10.1 Car(18:0) C25 H49 N O4 428.374076 427.3668 CAR(18:0) 10.35 alpha-tocopherol C29 H50 O2 431.387976 430.3807 alpha-Tocopherol 13.42 Car(20:0) C27 H53 N O4 456.405176 455.3979 CAR(20:0) 10.64 LPC(14:0) C22 H46 N O7 P 468.308276 467.301 LPC(14:0) 10.57 LPE(18:2)_rp_b C23 H44 N O7 P 478.292576 477.2853 LPE(18:2)_rp_b 10.94 LPC(15:0)_rp_a C23 H48 N O7 P 482.323576 481.3163 LPC(15:0)_rp_a 10.84 LPE(18:0)_rp_b C23 H48 N O7 P 482.324476 481.3172 LPE(18:0)_rp_b 11.45 LPC(16:1)_rp_a_b C24 H48 N O7 P 494.324076 493.3168 LPC(16:1) 10.74 LPC(16:0)_a_b C24 H50 N O7 P 496.340376 495.3331 LPC(16:0) 11.06 LPC(16:0)_rp_b C24 H50 N O7 P 496.340576 495.3333 LPC(16:0)_rp_b 11.06 LPC(17:0)_rp_a_b C25 H52 N O7 P 510.355776 509.3485 LPC(17:0) 11.26 LPC(18:2)_rp_a_b C26 H50 N O7 P 520.340376 519.3331 LPC(18:2) 10.91 LPC(18:2)_rp_b C26 H50 N O7 P 520.340576 519.3333 LPC(18:2)_rp_b 10.91 LPC(18:1)_rp_b C26 H52 N O7 P 522.356376 521.3491 LPC(18:1)_rp_b 11.17 LPC(20:4)_rp_a_b C28 H50 N O7 P 544.340576 543.3333 LPC(20:4) 10.92 LPC(20:4)_rp_b C28 H50 N O7 P 544.340576 543.3333 LPC(20:4)_rp_b 10.92 LPC(20:3)_rp_b C28 H52 N O7 P 546.354176 545.3469 LPC(20:3)_rp_b 11.41 LPC(20:3)_rp_a_b C28 H52 N O7 P 546.354276 545.347 LPC(20:3) 11.4 LPC(20:0)_rp_a C28 H58 N O7 P 552.402476 551.3952 LPC(20:0)_rp_a 11.75 DG(32:1) C35 H66 O5 567.497976 566.4907 DG(32:1) 14.36 DG(32:0) C35 H68 O5 569.513976 568.5067 DG(32:0) 15.21 biliverdin C33 H34 N4 O6 583.254676 582.2474 Biliverdin 9.35 DG(34:2) C37 H68 O5 593.515176 592.5079 DG(34:2) 14.69 DG(34:1) C37 H70 O5 595.530676 594.5234 DG(34:1) 15.44 DG(36:3) C39 H70 O5 619.530976 618.5237 DG(36:3) 14.92 DG(18:1_18:1) C39 H72 O5 621.545576 620.5383 DG(18:1_18:1) 15.68 SM(d32:1) C37 H75 N2 O6 P 675.542576 674.5353 SM(d32:1) 12.45 SM(d34:2) C39 H77 N2 O6 P 701.560176 700.5529 SM(d34:2) 12.55 PC(30:0) C38 H76 N O8 P 706.537576 705.5303 PC(30:0) 13.02 SM(d35:1) C40 H81 N2 O6 P 717.590076 716.5828 SM(d35:1) 13.15 SM(d36:2) C41 H81 N2 O6 P 729.591276 728.584 SM(d36:2) 13.02 PC(32:2) C40 H76 N O8 P 730.538676 729.5314 PC(32:2) 12.74 SM(d36:1) C41 H83 N2 O6 P 731.607576 730.6003 SM(d36:1) 13.43 PC(32:1) C40 H78 N O8 P 732.554876 731.5476 PC(32:1) 13.06 PC(32:0) C40 H80 N O8 P 734.571276 733.564 PC(32:0) 13.53 PC(33:2) C41 H78 N O8 P 744.552376 743.5451 PC(33:2) 12.99 PC(34:4) C42 H76 N O8 P 754.539576 753.5323 PC(34:4) 12.7 PC(34:3) C42 H78 N O8 P 756.554076 755.5468 PC(34:3) 12.84 PC(34:2) C42 H80 N O8 P 758.571276 757.564 PC(34:2) 13.25 SM(d38:1) C43 H87 N2 O6 P 759.638076 758.6308 SM(d38:1) 14.18 PC(34:1) C42 H82 N O8 P 760.586876 759.5796 PC(34:1) 13.64 PC(35:3) C43 H80 N O8 P 770.569776 769.5625 PC(35:3) 12.86 PC(36:4) C44 H80 N O8 P 782.570876 781.5636 PC(36:4) 13 PC(36:3) C44 H82 N O8 P 784.586576 783.5793 PC(36:3) 13.36 PC(36:2) C44 H84 N O8 P 786.602476 785.5952 PC(36:2) 13.92 SM(d40:1) C45 H91 N2 O6 P 787.669076 786.6618 SM(d40:1) 15.17 PC(38:6) C46 H80 N O8 P 806.571376 805.5641 PC(38:6) 13.1 SM(d42:2) C47 H93 N2 O6 P 813.684476 812.6772 SM(d42:2) 15.29 SM(d42:1) C47 H95 N2 O6 P 815.699776 814.6925 SM(d42:1) 16.51 PC(40:8) C48 H80 N O8 P 830.567576 829.5603 PC(40:8) 13.31 PC(40:6) C48 H84 N O8 P 834.602576 833.5953 PC(40:6) 13.73 METABOLITES_END #END