#METABOLOMICS WORKBENCH Mahanlab_2025_20250702_215214 DATATRACK_ID:6130 STUDY_ID:ST004035 ANALYSIS_ID:AN006673 PROJECT_ID:PR002527 VERSION 1 CREATED_ON July 8, 2025, 7:42 pm #PROJECT PR:PROJECT_TITLE Serum Metabolites at Defined Stages of Liver Disease PR:PROJECT_SUMMARY The present dataset comprises a total of 978 compounds of known identity (named PR:PROJECT_SUMMARY biochemicals). Following log transformation and imputation of missing values, if PR:PROJECT_SUMMARY any, with the minimum observed value for each compound, ANOVA contrasts were PR:PROJECT_SUMMARY used to identify biochemicals that differed significantly between experimental PR:PROJECT_SUMMARY groups. A summary of the numbers of biochemicals that achieved statistical PR:PROJECT_SUMMARY significance (p≤0.05), as well as those approaching significance PR:PROJECT_SUMMARY (0.05<p<0.10), is shown below. Analysis by two-way ANOVA identified biochemicals PR:PROJECT_SUMMARY exhibiting significant interaction and main effects for experimental parameters PR:PROJECT_SUMMARY of time and treatment. An estimate of the false discovery rate (q-value) is PR:PROJECT_SUMMARY calculated to take into account the multiple comparisons that normally occur in PR:PROJECT_SUMMARY metabolomic-based studies. For example, when analyzing 200 compounds, we would PR:PROJECT_SUMMARY expect to see about 10 compounds meeting the p≤0.05 cut-off by random chance. PR:PROJECT_SUMMARY The q-value describes the false discovery rate; a low q-value (q<0.10) is an PR:PROJECT_SUMMARY indication of high confidence in a result. While a higher q-value indicates PR:PROJECT_SUMMARY diminished confidence, it does not necessarily rule out the significance of a PR:PROJECT_SUMMARY result. Other lines of evidence may be taken into consideration when determining PR:PROJECT_SUMMARY whether a result merits further scrutiny. Such evidence may include a) PR:PROJECT_SUMMARY significance in another dimension of the study, b) inclusion in a common pathway PR:PROJECT_SUMMARY with a highly significant compound, or c) residing in a similar functional PR:PROJECT_SUMMARY biochemical family with other significant compounds. Refer to the Appendix for PR:PROJECT_SUMMARY general definitions and further descriptions of false discovery rate and other PR:PROJECT_SUMMARY statistical tests used at Metabolon. PR:INSTITUTE University of Texas Health Science Center at Houston PR:DEPARTMENT IMM PR:LABORATORY Mahan Lab PR:LAST_NAME Fekry PR:FIRST_NAME Baharan PR:ADDRESS The Brown Foundation Institute of Molecular Medicine for the Prevention of Human PR:ADDRESS Diseases (IMM), 1825 Pressler St, Houston TX 77030. USA. PR:EMAIL Baharan.Fekry@uth.tmc.edu PR:PHONE 8434693199 #STUDY ST:STUDY_TITLE Serum Metabolites at Defined Stages of Liver Disease ST:STUDY_SUMMARY The goal of this study was to reveal serum metabolome differences at defined ST:STUDY_SUMMARY stages of liver disease from fatty liver to hepatocellular carcinoma. This study ST:STUDY_SUMMARY investigates serum metabolomic alterations in a mouse model of non-alcoholic ST:STUDY_SUMMARY steatohepatitis (NASH) and HCC) using the STAM (Streptozotocin and High-Fat ST:STUDY_SUMMARY Diet) model. Male mice were administered streptozotocin (STZ) shortly after ST:STUDY_SUMMARY birth and subsequently fed a high-fat diet to induce liver disease progression ST:STUDY_SUMMARY resembling human NASH and HCC. Blood samples were collected at a defined disease ST:STUDY_SUMMARY stage , and serum was isolated for untargeted metabolomic profiling. Using ST:STUDY_SUMMARY LC-MS, we profiled the serum metabolites to identify disease-associated ST:STUDY_SUMMARY metabolic signatures. The study parameters include treatment condition (control ST:STUDY_SUMMARY vs. STAM), sample collection time (e.g., ZT8), and serum metabolite intensity ST:STUDY_SUMMARY values. Analysis revealed significant changes in pathways related to lipid ST:STUDY_SUMMARY metabolism, bile acid biosynthesis, amino acid metabolism, and energy ST:STUDY_SUMMARY homeostasis in the STAM group compared to controls. These metabolic alterations ST:STUDY_SUMMARY may reflect the systemic metabolic disturbances associated with NASH progression ST:STUDY_SUMMARY and HCC risk, providing potential biomarkers and therapeutic targets. ST:INSTITUTE University of Texas Health Science Center at Houston ST:DEPARTMENT IMM ST:LABORATORY Mahan Lab ST:LAST_NAME Fekry ST:FIRST_NAME Baharan ST:ADDRESS The Brown Foundation Institute of Molecular Medicine for the Prevention of Human ST:ADDRESS Diseases (IMM), 1825 Pressler St, Houston TX 77030, USA. ST:EMAIL Baharan.Fekry@uth.tmc.edu ST:PHONE 18434693199 #SUBJECT SU:SUBJECT_TYPE Mammal SU:SUBJECT_SPECIES Mus musculus SU:TAXONOMY_ID 10090 #SUBJECT_SAMPLE_FACTORS: SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Raw file names and additional sample data SUBJECT_SAMPLE_FACTORS M01 Con_4wk_1 Sample source:liver | Group:Con_4wk SUBJECT_SAMPLE_FACTORS M02 Con_4wk_2 Sample source:liver | Group:Con_4wk SUBJECT_SAMPLE_FACTORS M03 Con_4wk_3 Sample source:liver | Group:Con_4wk SUBJECT_SAMPLE_FACTORS M04 Con_4wk_4 Sample source:liver | Group:Con_4wk SUBJECT_SAMPLE_FACTORS M05 Con_4wk_5 Sample source:liver | Group:Con_4wk SUBJECT_SAMPLE_FACTORS M06 STZ_4wk_1 Sample source:liver | Group:STZ_4wk SUBJECT_SAMPLE_FACTORS M07 STZ_4wk_2 Sample source:liver | Group:STZ_4wk SUBJECT_SAMPLE_FACTORS M08 STZ_4wk_3 Sample source:liver | Group:STZ_4wk SUBJECT_SAMPLE_FACTORS M09 STZ_4wk_4 Sample source:liver | Group:STZ_4wk SUBJECT_SAMPLE_FACTORS M10 STZ_4wk_5 Sample source:liver | Group:STZ_4wk SUBJECT_SAMPLE_FACTORS M11 Con_7wk_1 Sample source:liver | Group:Con_7wk SUBJECT_SAMPLE_FACTORS M12 Con_7wk_2 Sample source:liver | Group:Con_7wk SUBJECT_SAMPLE_FACTORS M13 Con_7wk_3 Sample source:liver | Group:Con_7wk SUBJECT_SAMPLE_FACTORS M14 Con_7wk_4 Sample source:liver | Group:Con_7wk SUBJECT_SAMPLE_FACTORS M15 Con_7wk_5 Sample source:liver | Group:Con_7wk SUBJECT_SAMPLE_FACTORS M16 STZ_7wk_1 Sample source:liver | Group:STZ_7wk SUBJECT_SAMPLE_FACTORS M17 STZ_7wk_2 Sample source:liver | Group:STZ_7wk SUBJECT_SAMPLE_FACTORS M18 STZ_7wk_3 Sample source:liver | Group:STZ_7wk SUBJECT_SAMPLE_FACTORS M19 STZ_7wk_4 Sample source:liver | Group:STZ_7wk SUBJECT_SAMPLE_FACTORS M20 STZ_7wk_5 Sample source:liver | Group:STZ_7wk SUBJECT_SAMPLE_FACTORS M21 Con_10wk_1 Sample source:liver | Group:Con_10wk SUBJECT_SAMPLE_FACTORS M22 Con_10wk_2 Sample source:liver | Group:Con_10wk SUBJECT_SAMPLE_FACTORS M23 Con_10wk_3 Sample source:liver | Group:Con_10wk SUBJECT_SAMPLE_FACTORS M24 Con_10wk_4 Sample source:liver | Group:Con_10wk SUBJECT_SAMPLE_FACTORS M25 Con_10wk_5 Sample source:liver | Group:Con_10wk SUBJECT_SAMPLE_FACTORS M26 STZ_10wk_1 Sample source:liver | Group:STZ_10wk SUBJECT_SAMPLE_FACTORS M27 STZ_10wk_2 Sample source:liver | Group:STZ_10wk SUBJECT_SAMPLE_FACTORS M28 STZ_10wk_3 Sample source:liver | Group:STZ_10wk SUBJECT_SAMPLE_FACTORS M29 STZ_10wk_4 Sample source:liver | Group:STZ_10wk SUBJECT_SAMPLE_FACTORS M30 STZ_10wk_5 Sample source:liver | Group:STZ_10wk SUBJECT_SAMPLE_FACTORS M31 Con_16wk_1 Sample source:liver | Group:Con_16wk SUBJECT_SAMPLE_FACTORS M32 Con_16wk_2 Sample source:liver | Group:Con_16wk SUBJECT_SAMPLE_FACTORS M33 Con_16wk_3 Sample source:liver | Group:Con_16wk SUBJECT_SAMPLE_FACTORS M34 Con_16wk_4 Sample source:liver | Group:Con_16wk SUBJECT_SAMPLE_FACTORS M35 Con_16wk_5 Sample source:liver | Group:Con_16wk SUBJECT_SAMPLE_FACTORS M36 STZ_16wk_1 Sample source:liver | Group:STZ_16wk SUBJECT_SAMPLE_FACTORS M37 STZ_16wk_2 Sample source:liver | Group:STZ_16wk SUBJECT_SAMPLE_FACTORS M38 STZ_16wk_3 Sample source:liver | Group:STZ_16wk SUBJECT_SAMPLE_FACTORS M39 STZ_16wk_4 Sample source:liver | Group:STZ_16wk SUBJECT_SAMPLE_FACTORS M40 STZ_16wk_5 Sample source:liver | Group:STZ_16wk #COLLECTION CO:COLLECTION_SUMMARY A total of 40 serum samples were collected at the time of dissection, CO:COLLECTION_SUMMARY corresponding to ZT8 (Zeitgeber Time 8), from mice enrolled in an 8-group study CO:COLLECTION_SUMMARY modeling the progression from control to NASH, fibrosis, and HCC. Each group CO:COLLECTION_SUMMARY included 5 mice. Blood was collected via terminal cardiac puncture, and serum CO:COLLECTION_SUMMARY was isolated and snap-frozen, then stored at –80°C until analysis. CO:SAMPLE_TYPE hepatocyte #TREATMENT TR:TREATMENT_SUMMARY Control mice received a vehicle (placebo) treatment, while STZ mice were TR:TREATMENT_SUMMARY administered streptozotocin (STZ) at 15 days of age to induce β-cell TR:TREATMENT_SUMMARY dysfunction. All mice were switched to a high-fat diet (HFD) at 4 weeks of age TR:TREATMENT_SUMMARY to promote progression to NASH, fibrosis, and HCC across timepoints. #SAMPLEPREP SP:SAMPLEPREP_SUMMARY Serum samples were thawed on ice and prepared following Metabolon’s standard SP:SAMPLEPREP_SUMMARY protocols. Protein precipitation was carried out using methanol under vigorous SP:SAMPLEPREP_SUMMARY shaking, followed by centrifugation to extract metabolites. The resulting SP:SAMPLEPREP_SUMMARY supernatants were split into multiple aliquots for analysis by LC/MS and GC/MS SP:SAMPLEPREP_SUMMARY platforms. All samples were randomized prior to processing to reduce technical SP:SAMPLEPREP_SUMMARY bias. #CHROMATOGRAPHY CH:CHROMATOGRAPHY_SUMMARY Low pH polar (LC/MS Pos early) CH:CHROMATOGRAPHY_TYPE HILIC CH:INSTRUMENT_NAME Thermo Dionex ICS-5000+ CH:COLUMN_NAME Waters XBridge BEH C18 (100 x 2.1 mm, 3.5 μm) CH:SOLVENT_A 100% water; 0.1% formic acid; 0.05% PFPA, pH ~2.5 CH:SOLVENT_B 100% methanol; 0.1% formic acid; 0.05% PFPA, pH ~2.5 CH:FLOW_GRADIENT Linear gradient from 5% B to 80% B over 3.35 minutes CH:FLOW_RATE 0.35 mL/min CH:COLUMN_TEMPERATURE 40°C-50°C #ANALYSIS AN:ANALYSIS_TYPE MS #MS MS:INSTRUMENT_NAME Thermo Q Exactive Orbitrap MS:INSTRUMENT_TYPE Orbitrap MS:MS_TYPE Other MS:ION_MODE POSITIVE MS:MS_COMMENTS Metabolon (LC/MS Pos early) #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS LC/MS Peak intensity MS_METABOLITE_DATA_START Samples Con_4wk_1 Con_4wk_2 Con_4wk_3 Con_4wk_4 Con_4wk_5 STZ_4wk_1 STZ_4wk_2 STZ_4wk_3 STZ_4wk_4 STZ_4wk_5 Con_7wk_1 Con_7wk_2 Con_7wk_3 Con_7wk_4 Con_7wk_5 STZ_7wk_1 STZ_7wk_2 STZ_7wk_3 STZ_7wk_4 STZ_7wk_5 Con_10wk_1 Con_10wk_2 Con_10wk_3 Con_10wk_4 Con_10wk_5 STZ_10wk_1 STZ_10wk_2 STZ_10wk_3 STZ_10wk_4 STZ_10wk_5 Con_16wk_1 Con_16wk_2 Con_16wk_3 Con_16wk_4 Con_16wk_5 STZ_16wk_1 STZ_16wk_2 STZ_16wk_3 STZ_16wk_4 STZ_16wk_5 Factors Sample source:liver | Group:Con_4wk Sample source:liver | Group:Con_4wk Sample source:liver | Group:Con_4wk Sample source:liver | Group:Con_4wk Sample source:liver | Group:Con_4wk Sample source:liver | Group:STZ_4wk Sample source:liver | Group:STZ_4wk Sample source:liver | Group:STZ_4wk Sample source:liver | Group:STZ_4wk Sample source:liver | Group:STZ_4wk Sample source:liver | Group:Con_7wk Sample source:liver | Group:Con_7wk Sample source:liver | Group:Con_7wk Sample source:liver | Group:Con_7wk Sample source:liver | Group:Con_7wk Sample source:liver | Group:STZ_7wk Sample source:liver | Group:STZ_7wk Sample source:liver | Group:STZ_7wk Sample source:liver | Group:STZ_7wk Sample source:liver | Group:STZ_7wk Sample source:liver | Group:Con_10wk Sample source:liver | Group:Con_10wk Sample source:liver | Group:Con_10wk Sample source:liver | Group:Con_10wk Sample source:liver | Group:Con_10wk Sample source:liver | Group:STZ_10wk Sample source:liver | Group:STZ_10wk Sample source:liver | Group:STZ_10wk Sample source:liver | Group:STZ_10wk Sample source:liver | Group:STZ_10wk Sample source:liver | Group:Con_16wk Sample source:liver | Group:Con_16wk Sample source:liver | Group:Con_16wk Sample source:liver | Group:Con_16wk Sample source:liver | Group:Con_16wk Sample source:liver | Group:STZ_16wk Sample source:liver | Group:STZ_16wk Sample source:liver | Group:STZ_16wk Sample source:liver | Group:STZ_16wk Sample source:liver | Group:STZ_16wk mevalonate 0.837403624 1.089648218 1.020640075 1.113774553 0.819209345 1.531706661 1.359092191 1.560947172 1.362351759 1.23382736 0.817014141 0.883097337 0.744432722 0.822940222 0.799720651 1.489504809 3.739082145 2.760760442 1.139666611 2.464864966 0.865016591 0.89336453 0.68621387 0.682708564 0.65783456 0.922355569 1.371732355 1.421795564 0.901857035 0.979359925 0.7532352 0.808721064 0.615565485 0.896857138 0.780966181 2.137614442 3.118388291 1.200859707 1.690601665 1.113484 S-1-pyrroline-5-carboxylate 2.627296961 0.907479553 0.9873364 4.010187843 2.650360717 4.235600437 1.370233334 1.616284442 6.051744498 2.989928133 1.606808017 0.569620033 2.01850945 0.937019677 1.185417969 0.959213429 0.678172937 0.34137906 1.245134788 1.19155765 1.084854431 0.475139606 0.559661672 0.537836474 5.0240154 0.454892125 1.280191114 0.351812194 0.875190097 0.870854404 1.002444139 0.798456323 1.089274111 1.04786715 0.510407629 1.033415496 0.555348951 0.713088215 0.616937934 0.997555861 putrescine 0.899010144 0.783008517 1.292284301 1.486658938 0.695336629 1.449864731 1.207250414 0.995475874 1.032342771 1.731232826 1.220691801 1.377162968 1.410661189 1.004524126 1.232044898 1.010896519 0.495807895 0.438419259 0.317306695 0.833935414 1.435609379 1.263629735 0.822470256 0.835448252 1.219092646 0.912746073 0.918371133 1.154265513 1.044539361 0.782137008 0.969480509 0.796489278 0.688160115 1.048781817 1.020692861 0.481055079 0.499582417 0.914469405 0.876805959 1.113692997 spermidine 1.53034891 1.767013016 1.595050775 0.461228252 1.592151427 0.767784809 1.405656785 1.126099161 0.723245706 5.111924472 1.193830723 0.763629151 1.279628945 0.833474092 0.85355756 1.269016313 0.99832252 0.931414913 1.041782175 2.432673549 0.616538511 0.733273597 0.840931331 0.770113258 2.068403795 0.696360288 1.902866966 0.812171415 1.319705622 1.240185961 1.001771061 0.666344505 1.00167748 1.087169045 0.648696357 1.797688739 0.523998916 0.736601645 0.82395021 0.875336005 1-methylnicotinamide 1.927336128 1.973623932 1.668675952 1.604686284 0.677070749 1.90580101 2.352024954 2.195700916 0.983404502 1.121459847 1.370966972 1.072939843 0.617328483 0.685917292 0.486404689 0.955858322 0.734382139 0.362755775 4.17727706 0.418486532 1.331428635 1.150816253 1.039702852 1.016595498 0.578678941 1.500697562 1.260683203 0.61177642 0.877643533 0.965484685 0.322479795 0.191188421 0.336387722 0.372854494 0.183865828 1.399026352 2.000230358 1.308247994 0.592527321 0.455152935 12,13-DiHOME 4.6560199 2.436566083 1.050588363 1.750966905 1.867190136 3.354200735 4.449829115 2.775309323 10.57379191 5.932671425 0.179431105 0.411321653 1.22099827 0.232385897 0.542623837 0.796940299 0.9318992 0.509333766 0.991214579 0.753162449 2.490850097 1.18081008 0.495409907 0.506055592 1.561377893 0.502898551 0.608348475 0.452893143 0.306863509 0.295819814 1.169487346 1.008785421 1.96825438 1.315259572 1.290766818 0.638480424 1.182869349 0.532594636 0.718949816 0.492528661 5-hydroxyindoleacetate 1.143566685 1.337602397 0.994595882 0.934040325 1.184179003 2.729976778 2.343014782 2.46721609 1.201167627 1.906067377 1.353761017 1.051166759 0.607519801 0.621251239 1.046019743 0.679062162 0.951144686 0.557807203 1.905675523 1.318664421 1.005404118 0.851646739 0.860064168 0.821080443 1.048137741 0.942649547 1.505795559 1.891314142 1.187937168 0.872130638 0.874382561 0.942100621 0.86201352 1.26189183 0.831480292 0.855196576 0.985460879 1.045444362 0.470929613 0.619209297 2-oxoadipate 0.664309106 0.759935014 0.73352841 0.986658318 0.818885086 0.999760228 0.854701976 0.761333765 1.000723431 1.318210085 1.323388991 1.160317424 0.824450449 1.63425948 1.287341785 0.404293523 2.561074239 1.562533643 0.330649659 1.845762512 0.992881901 1.098634814 0.820797578 0.821684989 1.310893271 0.593956887 1.588301426 1.16194311 0.843117281 1.25332049 1.000239772 1.046684522 5.378636905 1.325418331 3.759345726 1.036894589 0.596047027 0.584757663 0.94997141 0.913038558 alpha-ketoglutarate 0.853818302 1.177090732 1.004982474 1.4201729 0.987296053 0.908904532 1.30338122 1.282967053 0.713234262 0.600915742 0.947514381 0.98229291 1.151781604 1.18671998 0.823025822 0.981578236 1.234977258 1.042617975 0.54075372 1.793243456 1.493884151 0.897548036 0.93475374 0.995017526 0.904135812 0.719690015 1.112131006 1.241814671 1.118090923 1.239671086 0.661546075 1.122569388 0.985473628 0.680515154 1.131694432 1.209966658 0.407616521 0.341736938 1.355919948 1.282212753 kynurenate 0.53558907 0.478985098 0.852561322 1.033685758 0.690434485 1.129443583 1.071153937 1.107472828 0.976277597 1.770570353 2.054927668 1.483925395 1.1734538 0.828231873 1.287998417 0.702842418 1.077378203 0.781590475 0.609870366 0.959632447 0.589251117 1.357465509 0.622337637 0.737395997 1.211909648 0.455681576 1.06561206 1.023722403 1.274402938 0.620252211 1.078263592 1.745710764 1.916229275 1.649338476 1.569489539 0.736901772 0.504542692 0.495613071 0.595257549 0.715650103 3-hydroxyisobutyrate 1.023841987 0.859878103 0.776715783 0.74993289 0.718524469 1.796680153 1.794567089 1.551188698 0.984258613 1.017030356 0.86878293 0.601174569 0.527817459 0.508025513 0.587180721 2.477967975 7.788957499 2.907595866 4.939336247 0.333453367 0.35900886 0.434005694 0.506067788 0.722608075 1.20073588 1.475122151 1.529823848 1.015741387 1.045812261 0.346948205 0.605923166 1.39654314 0.657285125 0.825319314 5.924671656 11.1406312 4.224576658 1.479757492 3-hydroxy-3-methylglutarate 0.697003673 0.764779558 1.164209468 1.448614848 0.89113855 1.917761662 1.512786653 2.049451885 1.364609601 1.981937088 0.874373003 0.734966975 0.784849039 0.629892673 0.783902794 1.913561432 2.721766428 2.20025114 0.694393493 3.132610337 0.999010365 0.97862232 0.535169842 0.474608687 0.796759203 0.88342807 1.020929586 1.072049706 0.864267192 0.79249698 1.077078739 0.788489822 0.874249453 0.992917516 1.062397705 1.259460366 2.371143048 1.000989635 2.789996276 1.085007102 3-phosphoglycerate 2.684155049 3.297041393 4.926145621 2.348079334 2.866046706 0.76525457 1.351263101 1.039395333 3.84589946 14.95333999 0.748700596 0.883965249 4.190619235 1.233748608 1.914457887 0.648220976 0.809230568 0.735107451 0.316760276 1.337528515 1.033868362 0.353025724 0.641539578 0.966131638 0.607933218 0.478758607 1.0724265 0.259839067 0.897992145 0.54540152 1.765578537 1.56060103 3.290510864 2.289008223 0.534357006 0.366198587 0.124990655 1.226443522 0.632155984 0.587607487 cholate 0.088003322 0.609398544 0.96635206 9.082660587 1.018257445 8.595570145 9.435377114 0.754258722 1.378195413 5.012551257 0.203541353 0.136045379 2.143821147 0.094944888 0.085239674 2.073044178 1.734551604 0.494848953 1.142538384 0.137858456 8.09662069 0.20969763 0.133011618 0.103341353 4.128297814 3.731464886 2.606171691 0.981742555 1.486667226 0.545881872 0.057197085 0.068751273 0.293048883 0.939158171 0.078174935 3.209094438 12.70350962 3.920039502 2.425287244 1.770987699 4-hydroxyphenylacetate 1.876603337 3.060831054 1.859622723 1.906757554 3.011691348 0.895228398 1 0.971647917 1.496880054 1.903477669 0.803400628 0.541262125 0.457012331 0.617082434 1.467171865 1.666037421 0.863627967 2.28170518 1.137394744 0.430876874 0.818051983 1.000387459 1.21376921 0.805157709 1.242810609 1.276064498 0.310057263 0.376966016 0.862204281 0.369906154 0.718326358 1.29690168 2.124631126 0.879238959 0.90114841 5,6-dihydrothymine 1.066276786 1.126479091 1.098224204 0.802104021 0.909900319 1.207008041 1.033221199 0.734067523 1.970238931 1.097212813 2.285708444 0.106801946 1 0.40006311 0.547582407 0.716608759 2.295121742 0.761412567 1.432078 0.968038269 1.297571844 0.944632471 0.678505758 0.838477298 1.11523384 1.167803687 1.184542754 1.195085348 0.688439064 0.749476244 0.443553608 hypoxanthine 1.002203319 1.130432256 1.319165281 1.37197572 1.365823271 0.318988058 0.407436535 0.60794168 0.939176105 4.302771446 1.537247817 0.589848015 1.420381775 0.948515856 1.282556431 1.662496976 1.255566569 0.992741163 0.757076035 2.449921789 0.870769266 0.450706345 0.809823107 0.716717446 0.783320301 0.447705331 1.48178735 0.389046081 1.683827278 1 0.990493741 0.875111133 0.022896299 1.05022997 0.928736799 1.139542748 2.020010914 1.656732684 1.901022118 9,10-DiHOME 3.414739655 1.946753184 1.031023675 0.931199328 1.318809972 2.214169301 4.249387972 2.131155242 4.974327182 4.183693938 0.368794473 0.447175439 0.712257789 0.49149222 0.912435508 0.943581796 1.636360756 0.902009327 1.367204645 1.000994675 1.337757021 0.868899864 0.659495912 0.543748493 1.195466099 0.747898025 0.658375869 0.435272399 0.468372218 0.427372859 1.18094687 1.169831856 1.88463695 0.999005325 1.570990473 1.386173738 2.125198212 0.995705813 0.975199245 0.576027223 linoleate (18:2n6) 2.080854349 1.365990891 0.76845654 2.640208928 0.470106212 0.089897305 2.767573657 1.651635201 2.795806937 2.440393832 0.130686056 0.87006785 0.613495124 0.619036201 0.714006656 1.382929929 3.562231822 2.804131677 0.850105282 1.91941336 1.307509328 0.71371367 0.355852544 0.86737029 0.202489016 0.982301187 0.243684991 0.759665682 0.21287818 0.086638761 1.848802011 1.017698813 1.821833238 1.28839637 0.262219792 1.068430302 1.480754348 1.837659818 1.329575891 0.466051025 laurate (12:0) 1.98477456 0.982954764 0.708028011 0.610594523 0.738933995 0.483477123 1.735502504 0.803272814 1.989768143 0.749992846 0.423177783 0.985975072 1.017766565 0.510385738 1.206432548 1.104033337 1.874317101 1.174421477 1.331779527 1.491546344 1.755619941 1.014024928 0.804750526 0.887304804 0.354298743 0.71499565 0.619041065 0.635277704 0.609009909 0.440259287 1.141861046 1.060720237 1.306959384 1.042688524 0.840044236 1.355496139 1.679235267 1.516347012 1.222689257 0.752201097 quinolinate 0.591262087 0.482007136 0.997301023 1.30573857 0.705465475 0.842919559 0.574490815 0.59984803 0.971652282 1.392878839 1.663160191 0.774203802 0.465442754 1.047357166 1.726641627 0.715050133 2.402222753 1.903882577 1.97919625 1.446886585 0.363094175 0.807669231 0.753772455 0.728947512 0.690810126 0.557040567 1.478467433 0.589037077 1.033538782 1.12189218 1.002698977 1.230912028 1.678951556 1.172164617 1.271776604 1.680450569 2.307491494 0.994071655 1.056951228 0.710641491 N6,N6,N6-trimethyllysine 1.015614366 1.100151655 1.347229981 1.131167382 1.144918627 1.357915142 1.174648366 1.30561436 1.30137057 2.445230366 1.369790403 0.790038173 1.102571895 0.851323573 0.743558717 0.820632328 0.682241804 0.647933185 1.476558738 0.80648159 0.961328775 0.848058196 1.003248954 1.006110442 1.308463849 0.901656043 1.445577088 0.954452207 1.000138624 1.197430598 0.89697225 0.812558203 0.999861376 1.020914262 0.698250536 0.703555706 0.508578927 0.940759389 0.657872644 0.778564413 N-acetylputrescine 1.156985876 1.303366603 2.179369698 2.203054884 1.146290742 4.906990065 4.068640246 4.899145891 2.264421892 2.222089417 0.735130667 0.894582121 1.077222294 0.705762179 0.79651257 1.256673909 0.965430403 0.82997939 0.999557524 0.886051582 1.095607697 0.888033725 0.918220142 0.884459165 1.141031918 0.929776646 1.977057032 1.36015743 1.033821174 1.677305328 0.629027043 0.695229638 0.94567351 0.761330456 0.790868984 1.227793199 0.908362796 0.926847492 0.804199115 1.000442476 N-formylmethionine 0.90871984 1.009812834 1.054692161 0.85297867 0.822021925 1.007710617 1.182674597 1.043281791 0.859505944 1.080358613 1.232889459 1.749984025 1.092332435 1.018406877 0.871873902 0.898990031 1.133497083 0.962179682 0.669792861 1.018630765 1.0749102 1.511658746 0.784119515 0.992289383 0.974656786 0.867359756 1.169969407 1.194276671 0.978614011 0.920086831 0.834781688 1.310206458 1.214600124 1.544685523 0.859923402 0.920987981 1.081913703 0.828654614 0.866876064 0.936539817 S-adenosylhomocysteine (SAH) 0.975322546 0.802554917 0.869176619 1.13566767 1.83869832 0.428004827 0.495091021 0.623252588 1.019703786 2.421381047 1.734900304 0.814739874 2.28032612 0.608051616 1.987732325 1.180101934 1.35025441 0.876468505 0.538488132 1.867558321 0.855318219 0.993321074 0.702852489 0.59716257 1.684308872 0.38283883 0.841970972 0.384870716 1.44950083 0.704137795 1.007926055 1.382206782 2.357098771 1.309656976 1.968058233 0.565818916 1.006678926 1.162563656 1.108881975 0.858467856 glycolate (hydroxyacetate) 0.845542629 0.485713773 0.725069454 1.037461687 1.199735313 0.982544873 0.523325272 0.682311131 1.330115749 1.481563575 1.210244136 1.029829949 2.479768723 1.091006477 1.610342931 0.443504954 0.542637722 0.616353344 0.921773242 0.67124355 1.088773757 1.154827563 1.599493994 1.433092728 2.342510815 0.510726022 0.422069685 0.760202981 1.017455127 0.774853326 2.644688064 2.333532504 2.626856382 3.601377345 3.112158317 0.474146433 0.403580913 0.692052963 0.781118824 0.524644081 adenosine 5'-monophosphate (AMP) 0.106324441 1.648894723 1.2535457 0.92954565 1.872334633 0.004641787 0.006204083 0.005097052 0.011863275 1.103335961 3.419734837 1.212324894 4.023284142 2.018454105 4.55732106 0.007684114 0.058526051 0.015595308 0.008833117 0.617514846 2.229751341 3.342694285 3.054145846 2.609801488 4.345888335 0.00861987 0.326355683 0.013973304 0.181281999 0.289106331 3.831312567 3.811583614 4.972172787 4.549240241 5.143140577 0.007393294 0.003867133 1.07045435 0.010330108 0.013312182 5-methylthioadenosine (MTA) 1.221719836 1.451176271 1.664577056 1.9465465 1.61974279 1.338547685 1.195726248 1.275579344 1.206498644 2.773644422 1.57674215 0.934953029 1.425370246 1.05882405 1.204677578 0.832406295 0.871575592 0.728251793 0.841321388 1.068389745 0.943070518 0.796356591 0.779359009 0.750557747 1.641486262 0.494635214 1.013856988 0.544621996 0.763993285 0.857728487 1.016260713 0.986143012 1.137693626 1.217589958 0.758205196 0.64281526 0.687750204 0.979666851 0.54315732 0.707049596 N6-methyladenosine 1.067671442 0.932328558 0.82860424 1.14532637 adenosine 5'-diphosphoribose (ADP-ribose) 1.752811557 1.02770815 0.369657551 1.114416958 1.453322512 0.97229185 0.109632371 1.982659545 0.59222578 1.667761842 0.329354342 0.593238219 0.917220106 0.881908871 0.611173073 1.564158378 0.263387455 0.183190912 1.630076276 1.252007322 1.492293222 1.863740502 1.604131728 0.499063495 allantoic acid 1.176577711 1.480796654 2.873714478 2.598902666 1.951496574 3.504160449 2.858407387 3.188114988 1.802875755 2.820962943 0.819479578 0.81914671 0.783933775 0.598841263 0.790107996 1.156175796 1.031589357 0.840500369 3.356699822 0.800527095 0.882152526 0.877133649 0.826334079 0.693657002 0.541347163 1.200468278 1.721502399 1.65536342 1.364472133 1.566146654 0.733720764 0.645593091 0.473522837 1.009209624 0.359229459 0.990790376 0.859986087 0.676598313 1.01210687 0.799352361 ribose 1-phosphate 0.966764979 1.120843353 1.409278726 1.699171435 1.167964028 0.628980344 0.145909554 0.176900965 1.79220122 1.605589798 0.923465758 1.091950834 1.295633104 0.925787725 1.450583242 0.606908685 1.098629462 0.896497692 0.347865371 1.214918262 0.918397505 1.074841727 0.852316979 0.791196411 1.196503993 0.501408106 1.127648433 0.483713643 1.192372569 0.908724443 1.094557697 1.030700138 1.013996327 1.305159828 0.663554354 0.370204633 0.161905448 1.364672182 0.448132553 0.986003673 arachidonate (20:4n6) 0.634527528 0.612406746 0.594231895 4.988296335 0.649111099 0.651030612 0.575891494 0.476791231 1.239308081 0.804156784 1.0073331 0.761930507 0.78351128 1.01343633 1.438848486 1.411102813 1.703574278 1.530328409 1.085778433 1.708263681 0.900269062 0.777824525 1.035218459 0.865119753 1.174892146 0.9926669 0.874950117 0.731890488 0.784515894 0.460483611 2.760214281 0.924432554 1.016801989 1.576662702 0.619867446 1.779901405 1.792786912 1.78055499 2.077744173 1.324099279 arginine 0.761099669 1.147044056 1.153555855 1.416024302 0.886963475 0.891736527 0.858500199 1.36542985 1.160694692 1.411594737 1.083662987 1.099662803 0.63048751 1.125659052 0.589287821 1.024482732 0.847511176 0.938067436 0.854211757 0.777691277 0.844312394 0.913470222 1.090928528 1.058257296 0.736894959 0.990391822 1.033530142 1.118585328 1.178092322 1.267654578 0.721235 0.974945261 1.040079575 1.009608178 0.990158564 1.070939501 0.917495469 0.807685068 0.895720067 1.08311505 argininosuccinate 1.028441528 0.778493285 0.918901255 1.781099422 1.71753053 1.763581746 0.66117655 1.962317919 1.596075911 3.685162207 2.186147965 0.708463178 1.103839518 0.643116268 0.921872738 0.922780691 1.299449951 0.466829945 0.813865566 1.390507764 0.870547004 0.635143601 0.547701363 0.525508609 2.081211055 0.376670613 1.341321336 0.84382937 1.139993911 1.178846453 0.816900646 0.978251074 1.586838064 1.049722269 1.021748926 1.080799702 0.60693346 0.812654511 1.366421975 0.908020703 ascorbate (Vitamin C) 0.416194964 1.404685799 2.024040641 1.228997963 0.952467597 0.377328423 0.83029676 0.710661817 0.254802716 0.030791313 1.511622247 0.451300957 2.027602288 1.978240016 2.154678621 1.073838393 1.047532403 1.260453546 0.73059474 1.185736312 0.441416601 0.288077391 0.184653861 0.763854469 1.655836294 2.109079342 2.048465135 1.579446065 0.138833037 0.823730406 0.058106933 0.68437213 0.78175201 1.333046002 2.957656862 0.255219629 2.549445736 1.869137668 aspartate 0.999880498 1.000119502 1.126387146 1.63015306 1.228807841 0.899595043 0.870032878 0.863976973 1.134146632 1.567768032 1.379919426 1.300104194 1.247759977 1.195932413 1.804725842 0.672612446 0.541748027 0.546415412 0.205720799 1.196904064 0.791897797 1.329955329 0.962618466 0.847102608 1.313709266 0.561687228 0.828222 0.527023542 1.324267761 0.696693334 0.838592868 1.355040354 1.023641297 1.631903364 1.113575263 0.35054526 0.24326883 1.003551836 0.737223338 0.820226925 2-hydroxyphenylacetate 1.882800054 1.263792651 1.440021242 0.954573664 0.616243434 1.639788352 1.873810758 3.605264336 1.703852281 3.434103022 0.935692944 1.089752203 0.860310819 0.758261515 0.99291733 0.856401594 0.439982853 1.093335125 0.644740462 1.028772145 0.502485652 1.184968362 1 0.814865289 1.021484737 1.086841078 0.514725171 0.674881796 0.731127277 1.054377243 1.097442689 0.482626026 0.333627645 3-(4-hydroxyphenyl)lactate 0.734377513 0.567701461 0.480799997 0.826497887 0.890448723 0.93711538 0.829824951 0.862150899 1.055765108 1.375582832 1.041317605 0.807560989 1.294085211 0.891261949 1.163114638 1.539190978 3.396795437 1.846282305 8.920811717 2.402208301 0.825046749 0.530343857 0.578719551 0.563848519 0.932396743 1.64971083 2.567695226 1.58442109 2.580986436 2.270286997 0.635965713 0.955272549 0.958682395 0.595547632 0.669910087 4.120053904 7.179666714 2.453582319 1.821346304 1.45494046 phenylpyruvate 0.973063371 1.134548768 1.07070712 0.811351213 1.9405445 1.434893844 0.974304958 1.876950609 1.446679822 1.895456135 1.346654381 1.143824977 0.982846993 1.377173346 0.898901993 0.744887814 1.848809837 1.366432289 2.410360603 0.652669535 0.557940785 0.687969379 0.777424533 0.581373465 1.030754474 0.709053962 0.980194448 0.849893601 1.195289248 1.558477943 0.548537198 0.859243997 0.895871513 0.756199274 0.748207345 1.414928369 2.154751152 1.022435001 1.017153007 0.864372717 beta-alanine 0.892995567 0.997936272 1.098801349 0.926988251 0.883735811 0.885724035 0.845604074 0.817980964 1.046121014 1.244244299 1.332308968 1.250375523 1.273848222 1.335818196 1.196069278 0.861317858 0.894210753 0.761624513 0.82353496 0.911511661 1.145817006 1.050946485 1.029750648 1.002063728 1.368151139 0.892605679 0.910894011 1.299293169 0.918032484 0.913751566 1.044034524 0.936796313 1.23459225 1.24942525 1.441192388 0.581382877 0.737892723 1.087548942 1.012386266 0.837087183 carnosine 0.928982885 1.877589036 2.243666602 1.026328142 0.832351168 1.74382671 1.688879133 3.059036536 1.244704851 12.51727234 1.1232106 0.729327425 0.919289781 0.796451458 0.754028102 1.169450434 2.438719578 1.336444966 1.92899476 1.055111376 0.954187442 0.772760601 1.107910091 0.973671858 2.940775662 0.55802588 1.380453879 0.642393271 0.875078101 0.967633478 1.12217149 0.829592042 1.117643634 1.633817773 0.650145991 0.571985592 0.561546078 0.902681347 0.660444325 0.68178318 biliverdin 1.403177502 1.479735913 1.124788384 1.163540579 1.122787178 1.049102663 1.064314073 1.327304686 0.79067034 0.841658228 1.121635435 1.01953917 2.174191737 1.06178202 1.500682598 0.35132525 0.194869763 0.391881797 0.100644998 0.69768482 1.655335642 0.698305079 1.194399955 1.110387723 1.893793246 1.178817323 0.427073866 0.301791597 0.682524427 0.476340026 0.75591801 1.218759126 0.796092728 1.470322462 0.733332114 0.258758469 0.086119607 0.98046083 0.397607526 0.307511176 biotin 0.560894295 1.522255865 3.991372487 3.001109336 1.334928187 1.993067387 2.120932313 1.408697546 0.564531269 1.605870946 0.461701433 0.734909944 0.852976227 0.962709251 3.16514979 1.008141995 0.804059522 1.309328131 0.403245028 0.884284802 0.706955859 1.026014954 1.437410804 0.460553844 1.299664845 0.609369621 0.412767072 1.234923185 0.374102159 0.991858005 succinate 1.003488381 0.600783644 0.3922881 0.935847747 0.97390476 0.810005775 0.429500167 0.420962121 0.714941206 0.775383725 1.190618987 1.22117026 1.586337746 0.756244325 1.608858133 1.405261333 0.907077225 0.499982344 0.373255974 1.590254355 1.403949865 1.167661185 0.962033003 0.878168062 1.316477994 0.581069117 0.958111607 0.569398775 1.320554472 0.636093737 1.312701689 1.298557091 1.495460712 1.154721334 1.377080058 1.504409281 0.996511619 1.302519677 1.676434533 1.423697633 3-hydroxybutyrate (BHBA) 1.170021004 0.803447834 0.500015326 0.17588841 0.181722474 0.695878465 2.314046213 1.101989502 0.417870163 0.619294531 0.276946854 0.30806935 0.429040501 0.178066994 0.320821984 7.357406245 22.88251911 18.29280454 4.062957393 17.74096272 1.140742505 1.174559788 0.542995072 0.434135078 0.22486635 1.165026311 0.740364498 2.410210264 0.989661212 0.58933873 1.936870464 1.010338788 0.644111764 1.110925168 0.647094473 14.61805749 36.97471352 8.939015543 13.71201737 3.638330165 cholesterol 0.370637863 0.522195268 0.567855815 1.127170747 0.606947104 0.936598682 0.621023004 0.645817267 0.908418038 0.60098683 1.012928867 0.906426845 0.690584359 1.065317852 0.938880958 1.775396287 2.403165684 1.903008277 5.647005973 1.674352086 0.797553354 1.021942328 0.914636797 0.959180975 0.697039478 1.726382935 2.002326691 1.468434403 1.96212056 1.657371798 0.940268244 0.988752956 0.940133301 1.011247044 0.979412099 3.195230674 3.608179222 1.736613562 2.624042044 1.698927779 choline phosphate 1.088557514 1.216682336 1.011217192 1.634570726 1.282998727 1.057774756 0.399938293 0.326363851 1.172619498 1.870914546 1.389415275 0.861486554 1.495649804 0.861438541 1.436527613 1.001379869 0.705751453 0.604428109 0.522897729 1.674897981 1.01832158 0.910344633 0.891860045 0.817728196 2.051560955 0.503430607 0.924601809 0.465846064 0.849350615 0.743503212 1.203830988 1.131627287 1.240926832 1.578701374 1.036586774 0.436024477 0.390469128 0.998620131 0.607380611 0.795389385 corticosterone 2.381634271 1.836436649 1.151820663 0.847692851 1.346622457 0.728885003 1.644776539 1.36793633 1.191707269 1.742058296 0.990790888 1.079440305 0.579544862 1.082653349 1.437275528 0.12951365 1.480656273 2.006211699 1.393562185 1.544221547 0.112217633 0.573738052 1.335331195 1.37163617 0.75644098 0.735276031 1.156009161 0.652081591 0.668898568 1.754541263 0.860953948 0.972238942 1.009209112 0.922514638 0.43598516 0.118237281 0.678309658 0.314746121 0.756473247 0.371869795 creatinine 0.997666524 1.177391409 1.174940401 1.022311741 1.048489629 1.157186614 0.987190097 1.360578694 1.091135627 2.385943068 1.139537041 1.002333476 1.201980913 0.897415486 1.0422563 0.892744155 1.139184766 0.945847434 1.367201523 0.985206827 0.874057658 0.930220359 0.942619939 0.88737899 1.37797484 0.769196673 1.104562959 0.93735381 1.122335401 1.06340473 0.989807658 0.968760971 1.005670915 1.154401642 0.833416497 0.756627482 0.669618774 0.892729913 0.825408051 0.836488344 cystine 0.977254434 1.159446788 0.66275866 0.312749656 0.778431094 0.491907734 0.81173219 1.407354179 0.391023513 0.598823686 0.841967942 1.026674476 0.532259466 1.185690919 0.870661241 1.004295394 1.827515144 1.408359851 0.945764469 0.995704606 0.361033426 1.467943049 1.099276756 1.200901423 0.304074295 1.828723331 1.007635169 1.976155559 1.060268413 1.058583855 0.766052351 0.960282854 0.921781374 1.026937976 1.463147696 1.583593046 0.884119298 0.782214446 1.295311485 1.034438518 cytidine 5'-monophosphate (5'-CMP) 1.246277687 1.492774468 1.422442217 1.533073986 1.323577995 0.485464231 0.429974011 0.382500099 0.908950448 2.466516471 1.584940082 0.877967036 1.439175757 1.293430678 1.356480666 0.566009107 0.915384531 0.689233776 0.352280273 1.428684285 1.003167807 0.874448096 1.158250923 1.091020011 1.945367359 0.416545911 1.013110983 0.541874693 0.782964606 0.838204177 1.324907332 1.126474384 1.284768052 1.279640032 0.981035008 0.209246237 0.242373597 0.996832193 0.198902916 0.574091658 sphingosine 0.757148961 1.013239241 1.055687026 1.015302613 0.822436261 0.631569795 1.297459556 1.375232462 1.677635882 3.337138554 1.045924035 0.447823015 1.250837553 1.010695352 0.902104796 1.527869112 1.446013585 1.230745787 1.64286463 1.239865545 0.609930175 0.408114229 0.668423223 0.664165971 1.720983262 0.859887122 1.278706199 0.665928671 0.808709057 1.17916093 0.979053694 0.714551492 0.688218971 0.877133583 0.880177722 1.238998344 1.299661628 0.989304648 0.890138802 0.708746199 deoxycholate 1.487195691 1.107536053 1.359345375 0.805821756 2.790663031 1.107137539 3.361974699 1.474735779 2.231808553 1.688586886 0.305104304 1.679236308 0.277221485 0.371796321 1 1.766414227 1.155008798 1.498580145 0.888669343 6.010542917 0.623957725 0.68768979 0.845626518 6.227454525 0.946742324 1.000018733 0.820208431 0.990085355 0.745554148 0.416718676 0.672947191 0.62255276 0.624435012 0.350523159 2.228505166 1.18901566 0.851934688 1.198243915 0.999596843 dihydroxyacetone phosphate (DHAP) 0.718070507 1.163846542 0.445138586 1.400124448 0.822545786 1.875765181 0.22051314 0.221198985 1.002152946 1.054954749 3.081510519 0.763373641 1.23322617 0.599795353 1.686123383 1.225723353 1.512334847 0.592204039 1.177155539 1.341469452 1.216558466 1.526185883 0.881845146 0.641967934 1.691510588 0.459398917 2.008318642 0.350921951 0.874516555 0.969988731 0.58302256 0.997847054 1.563964076 0.785794979 1.459441783 0.979485478 0.675537027 2.125865085 0.624210621 1.176292701 cystathionine 0.996557609 1.053962133 2.161423841 2.135989007 0.988454043 2.760547546 2.404090263 3.426270183 1.796050266 2.527567617 0.851364958 0.773483241 1.13219414 0.673603248 0.729796277 0.904792847 1.260493903 0.831308039 2.386532759 0.958396428 1.697250304 0.973064861 0.905587469 0.895071484 1.344696632 1.201639497 1.919486431 1.707747213 1.214439718 1.86235638 0.589544377 0.636844198 1.163525945 0.844924145 0.972649446 1.003442391 0.908963398 0.765333139 0.675805105 0.624414072 sphinganine 0.736147411 0.965011956 1.033440646 0.876758654 0.901003145 0.629058329 1.260999097 1.474681686 1.84288959 3.133622017 0.942813216 0.392678647 0.944981472 0.890111847 0.799143767 1.938149255 2.431466869 1.693719724 2.042175731 1.767714367 0.445333469 0.455697929 0.614664197 0.609078097 1.151927253 0.984464656 1.613887488 0.96127824 1.111298457 1.397204588 1.015535344 0.725102577 0.776008529 0.877010378 0.870002395 2.21122023 1.990211471 1.132940949 1.739483278 1.115395286 flavin adenine dinucleotide (FAD) 2.181823988 0.643760378 4.006578107 1 0.861412696 0.957976753 2.30754247 1.031038447 0.75287393 1.033337591 0.916113169 fumarate 1.081591996 1.016196677 0.87631752 1.330805202 1.239121829 1.195037509 0.748875058 0.924003324 0.858150399 1.421066353 1.63930799 0.731308075 1.476687357 0.732718808 1.056400869 1.034724737 1.128180874 0.676594945 0.650501928 1.348259705 1.041489407 0.640289183 0.771119571 0.718117833 2.052356215 0.468003699 1.12978197 0.601215028 0.983803323 0.909723407 0.914993956 1.108932901 1.411443394 1.017444435 0.922594731 1.141590833 0.565419857 0.865711205 1.218944623 0.902582291 gamma-glutamylglutamate 0.874836202 1.428230101 0.839522659 1.502494125 1.131341394 1.729568531 1.12531467 0.925984594 1.285354064 1.256672951 0.772268983 0.841458843 1.677505049 0.847649505 1.007418218 1.031848059 0.992581782 1.182335463 0.233751948 2.475169499 0.554079477 0.670522436 0.640150674 0.587466943 1.491201444 0.725489454 1.192225188 1.098816263 1.132011688 0.798054202 1.013285689 2.745484117 0.63894173 1.674068285 0.630849644 0.816031821 0.497448928 0.537708196 2.223888109 0.933557258 gluconate 0.601525351 0.56002704 0.974147843 1.159496809 0.925579979 2.670540748 2.259397235 2.716484175 2.884321971 3.942304159 0.520009487 0.475519107 0.451222314 0.49816774 0.465020505 5.727765646 3.015819525 3.842817834 24.66779964 12.67315296 0.472265703 0.308454374 0.496855379 0.530525426 0.711556889 1.080914466 1.108863274 1.225482621 1.025852157 1.114956124 0.655922882 0.526327861 0.38224145 0.616420042 0.462552955 1.296504005 1.039352207 1.032981964 1.450933268 0.691930878 glutarate (C5-DC) 0.766851694 0.675393476 0.565619375 0.993783777 0.697843103 0.869564428 0.996042962 0.726283672 0.757037577 0.916131195 0.71026456 0.70804981 1.228863738 0.446361474 1.586024746 1.75069633 3.892971641 0.818544271 1.003957038 4.68703246 0.75934263 1.143417485 0.519343427 0.415139965 1.135803625 0.308361175 1.298292312 0.500537801 1.222489284 0.490853804 1.48899127 1.540443356 3.774847234 1.243323319 3.006475508 6.384917371 5.37196309 1.787022148 3.1420564 2.076661152 glycine 1.204316774 1.076877192 1.450308882 1.3805419 1.159488292 1.364431213 1.249010817 1.661432477 1.305984591 2.020817397 1.258856879 0.972235443 1.248423207 0.984309158 1.139282999 0.942303094 1.046045595 0.823762909 0.637162079 1.073572026 1.199050658 0.880955844 0.973529865 0.982175577 1.571881557 0.80985248 0.956685333 0.943663136 1.015690842 1.064007545 0.908646637 0.961758075 0.716764774 1.065795005 0.716727836 0.813108533 0.830392188 0.844255074 0.855977362 0.800889163 glycocholate 0.316871131 0.187828791 31.40078161 0.947188583 21.28514436 3.693400674 1.34123351 18.55325922 1.305412199 0.496263963 0.783091837 1.652484169 1.207820859 0.339355642 1.442549068 0.247678929 0.260558738 2.42374938 2.603084431 1.267718273 0.572119312 0.81002545 0.467040139 0.235487234 2.947944982 0.119062064 0.494848339 2.211203648 1 1.623357522 0.798361659 guanidinoacetate 1.252203297 0.971246899 1.007280141 1.339347448 1.217470868 1.222894594 0.889044366 1.150476818 1.40916066 1.167978258 1.457916877 1.618068213 3.261660278 1.010553485 1.509454041 0.804819327 0.612059488 0.726920499 0.249315052 1.131727479 2.195673071 0.992719859 0.825117882 0.730067436 1.43527539 0.829378961 0.542258034 0.85039921 1.053478828 0.693111132 1.026432217 1.044145315 0.55772227 1.060551721 0.960849217 0.29305028 0.359152135 0.774581682 0.895663076 0.76618005 guanosine 5'-monophosphate (5'-GMP) 0.324841484 1.094455096 0.923354185 0.675523834 1.070765503 0.023978262 1.016146044 1.534676229 0.86064096 1.338769491 1.086939285 1.563208769 0.114226065 0.059481287 0.650928352 0.983853956 1.075418148 1.187990655 1.088936031 1.313318876 0.031874953 0.42754347 0.089828753 0.382559218 0.360700489 1.530064833 1.347861971 1.620700972 1.657591732 1.604798895 0.752468614 0.080628876 histamine 2.399345655 0.779684522 0.668617399 2.470490631 1.810355028 2.441461743 0.793023476 0.950516433 1.100769322 1.793873451 0.765986512 1.145289504 0.520171303 0.68556472 1.010154884 2.134255018 0.976373838 0.750747893 0.735096336 2.076602044 0.779747614 0.76033326 0.999171208 0.878573828 1.535719702 0.658066925 0.723044396 0.434832946 1.407192234 0.704876223 1.156036623 1.719598287 1.53258322 1.553444696 0.829306554 1.000828792 0.746164134 1.100887984 1.336819866 1.649873724 histidine 1.060475544 0.917371161 0.927557479 1.001785389 1.015966403 1.135269317 0.962046375 1.223619575 1.054161911 1.290236178 1.353524591 0.998214611 1.380312516 1.145212521 1.124657732 0.998035978 0.85031494 1.079302314 1.358173192 0.774252385 0.932542125 0.819918771 0.835579168 0.791062462 1.270459117 1.092918013 1.114930396 0.962537578 1.231829155 1.406246135 0.830089769 0.853144383 0.976876553 1.050790038 0.957715254 1.182361857 0.731657629 0.879025469 0.877377526 0.995169174 hypotaurine 1.241829187 1.68440592 1.208690441 1.596971413 1.72112057 1.497205833 1.213616379 1.242261469 1.341215676 2.817416402 1.284360033 0.94452031 2.966009086 1.461457619 1.353993907 0.92351926 0.917063883 0.993032781 0.755126359 1.657521511 2.649453529 0.605685339 0.904168454 0.78661982 4.045068641 0.972884575 1.012448047 0.770078169 1.358079172 0.791045863 0.854458756 0.98935771 0.666912483 1.006967219 0.451637971 0.583451903 0.624181048 0.849271375 0.550065237 0.683914363 inosine 1.048783171 1.911006203 1.758896436 1.40663125 1.732159613 0.298995581 0.2899769 0.793875374 1.140485531 2.998489248 1.13945502 0.91843137 0.973840446 0.920790196 1.482973896 0.923724569 1.729216225 1.069030473 0.886820717 1.755489534 0.915754285 0.985342773 0.953588774 0.828771926 0.565645891 0.367735003 1.49098464 0.91627012 1.815441624 1.221278996 1.027180036 1.014657227 0.077068591 1.188783595 0.066417371 0.650866553 0.755533447 1.79131915 0.903513688 1.626197141 inosine 5'-monophosphate (IMP) 0.209933143 2.395734267 1.876097175 0.870442678 1.376921518 0.029226212 5.663198575 1.618976981 0.384016778 2.319199215 0.769090818 1.789174512 0.449619476 0.085715553 0.553427213 1 0.713797928 1.380390671 1.103838735 3.415806076 0.63229378 0.023872023 0.315197694 0.419738616 2.032909171 1.23649776 1.77180853 2.505047879 1.091191409 0.719769517 0.048592404 myo-inositol 2.03694369 2.12462231 2.126572234 2.986708002 2.503748529 2.589264366 2.185082666 2.464258701 2.457495392 2.990832433 1.266367099 0.860408555 1.01701296 0.844627951 0.962137493 0.945654826 0.98298704 0.753294739 1.391118742 1.242310028 0.860569463 0.900632358 0.881295295 0.970932005 1.380989285 0.882233738 1.264687003 1.062256189 0.950553496 1.148554168 0.852033094 0.981810718 1.144353927 0.906855449 0.711400691 0.705989669 0.787393547 1.080522629 0.752163513 0.91061102 isoleucine 0.929654984 0.783568835 0.782688331 0.833880526 0.894249241 1.028314918 0.848217834 1.193790652 1.218868438 1.298241321 1.270343786 0.817717894 0.80508279 0.991867317 0.938270082 1.604731406 2.152592608 2.064863425 0.822649716 1.835175132 0.724785972 0.767901197 0.782207885 0.744052946 1.1205436 0.853222939 0.826506771 0.946715216 1.165354494 1.011274867 0.834245902 0.86716984 1.19478419 1.008132683 1.095020639 2.018792958 2.21729188 1.337431935 1.85493009 1.153410581 2-aminoadipate 0.670700746 0.517150229 0.54806992 0.919619 0.954991836 0.92390292 0.481999225 0.543716401 1.104197446 0.925083536 1.332286639 1.516002435 0.611304764 1.287084111 1.656274521 0.941460616 1.534757272 1.170166187 0.335230263 1.674233979 0.76559782 1.145508972 1.180847357 0.730975905 1.149208636 0.650343745 0.729184498 0.757481556 1.063896612 1.005708247 1.175648646 1.207984283 2.181591759 1.35862516 3.049782534 1.206244552 1.326725271 0.707898973 0.749566173 0.994291753 citrulline 1.000770359 1.047724595 1.171207079 1.265718464 1.129618836 1.464715712 1.15297933 1.694172815 1.378439851 1.475774089 0.999229641 0.811309288 0.978014937 0.753860974 0.83727402 1.205119558 1.315414921 1.140153631 1.484539704 1.048564763 0.755124919 0.693889103 0.725110874 0.716803063 0.836248422 0.85006937 1.219109072 1.193205524 0.992143825 1.178783203 0.595711825 0.667426035 0.696259566 0.581675748 0.605296412 1.442407362 1.457029232 0.877153806 0.991618431 0.934761307 leucine 0.848280652 0.681331379 0.686827527 0.870117697 0.865790665 1.002208217 0.698624616 1.162946191 1.190030719 1.404428513 1.366844817 0.80673768 0.707148518 0.999307262 0.936794871 1.569093447 2.041272919 2.116737888 0.687654827 1.68888929 0.661590424 0.756471765 0.755245664 0.682191232 1.028669988 0.815817445 0.724630202 0.892739683 1.208188583 1.153101096 0.784154364 0.712043249 1.18390892 1.000692738 1.027612709 2.163340875 2.358190588 1.23295641 1.717407647 1.078924128 lysine 0.994685458 0.861965758 1.218636631 1.234882091 1.081397857 0.965548969 0.781712339 0.929150663 0.847031374 1.207848894 1.360086044 1.187686383 1.145547651 1.37801354 1.213394878 0.909841879 0.827598057 0.804262521 1.16008338 0.592836156 0.870366697 0.827577469 0.991428535 0.961026723 1.248749997 0.857490738 1.151308722 1.005314542 1.057840852 1.69519888 0.77746604 0.815094835 1.070979092 0.917274668 1.084604213 1.093602114 1.007335147 0.802174639 0.589600676 1.01602203 malate 2.867282939 3.875113504 3.408890243 0.818288665 1.094395473 0.150218455 3.722546841 3.186674227 2.8779031 2.350028101 0.248760088 2.151789654 1.410789676 2.544513031 0.288076357 0.219779697 1.012717345 2.16868511 0.161592696 0.238231493 1.710955226 1.134293143 0.199896357 1.771812506 0.165497779 1.776572585 0.218116903 2.303484944 0.26826216 0.211435028 0.267661998 1.165253069 2.341081335 0.987282655 0.210987952 0.239085298 0.121214659 0.416093995 0.398361141 0.256516328 methionine 1.108869291 0.813927149 0.861211798 1.846158327 1.987524406 2.365457524 0.801348054 2.405298489 1.903203174 3.014446598 1.575654938 1.160157741 1.186160958 1.565536459 1.324584535 0.970692445 1.219534782 1.266263 1.010224439 0.886861282 0.707989247 0.723673355 0.961000698 0.931073087 1.404292712 0.78111394 0.93345978 0.989775561 1.116478667 1.660335758 0.719342731 0.887069606 0.634615353 0.920697557 0.774791189 1.384611367 1.153163443 0.883673104 0.76184841 0.902979053 methylmalonate (MMA) 1.203007466 1.020704703 1.547495421 1.325765164 1.039675013 1.490695024 1.565045156 1.564029283 1.494397827 1.504700565 1.113910222 0.970047289 1.149624484 1.004445252 1.050730847 1.206564063 0.856582163 0.939354763 1.163238385 1.042226933 0.906625882 0.868596902 0.874281178 0.694722863 0.964142605 0.826264045 1.420787509 0.9573845 1.05650974 1.178000095 0.654945 0.771524261 0.960202599 0.774631372 0.9047466 0.88389635 0.623305864 0.752853938 0.985114475 0.995554748 palmitate (16:0) 1.349879866 1.019479303 0.839169484 1.353820763 0.722706166 0.316572758 1.193169636 0.780031366 1.193030887 1.138806962 0.399286927 0.846158184 0.72013369 0.685203065 0.916251505 1.226699524 2.182844353 1.949644774 0.980520697 1.589283805 1.151192477 0.924314315 0.700850769 0.887498706 0.532401701 1.049188147 0.633512054 0.927522929 0.664877539 0.403680098 1.377795598 1.062516332 1.284056402 1.076923361 0.557810587 1.227650696 1.427421325 1.750617587 1.479806605 0.771669801 nicotinamide 1.174773712 1.482937621 1.120859913 1.089315976 1.075527211 0.982471945 0.824154746 0.935646061 1.133584166 1.667889017 1.343617216 0.745909951 1.136674317 0.838665918 0.918221411 0.967914367 0.981961283 0.779379456 1.121743619 1.066908433 1.017528055 1.238930081 1.103556443 1.05605854 1.412755412 0.860397651 0.980532777 0.449981103 0.726488982 0.691376084 1.164280879 0.893908495 1.019155922 1.069081559 0.805732908 0.590514936 0.849791202 1.323962881 0.667645249 0.653494643 pelargonate (9:0) 1.154459267 0.602108161 0.827098926 0.643952835 1.208419523 1.118467851 0.72779637 0.894485951 0.656766006 1.240766147 1.654486619 0.733880302 1.790484231 0.803206875 1.042076801 1.007896889 0.691917265 0.699072996 0.808270566 0.992103111 0.768296939 1.017718803 2.255349431 0.956069821 1.346051217 0.849018511 1.132176608 0.692063706 1.203845742 1.204089729 0.991021389 1.025295701 0.668000525 0.78843334 1.086150031 1.123965538 1.284059976 1.082665476 0.934573583 1.06593206 stearate (18:0) 0.830132016 0.589805479 0.597855763 0.762452589 0.606072326 0.701469615 0.805329252 0.708601813 0.907004055 1.027065234 0.79083363 0.861912779 0.882098165 0.843672531 1.182206826 1.615083292 2.669845299 2.279369492 1.502689828 1.884567374 1.322580842 0.846683659 0.951227959 1.012575394 0.989895973 1.255365764 1.089645671 1.010104027 1.106061812 0.85085096 1.241723634 0.944341411 1.1849527 0.944456297 0.820410761 1.868025317 2.179424221 2.008215237 1.740717358 1.06112904 ornithine 1.623693132 0.674757048 0.736750386 1.322722971 2.071001493 2.073268097 0.797893203 1.606816977 1.642627373 2.475920247 1.447803332 0.768447882 1.623915534 0.890762837 1.635304116 1.149232639 1.00567182 0.914614443 1.059501408 1.02925517 0.900562278 0.716895007 0.593671082 0.561057845 1.785002656 0.728213866 0.993643167 0.72583377 1.037233975 1.096406014 1.028240594 0.60692308 0.967552438 0.99432818 0.883583835 1.903733308 1.550115867 0.951083126 0.891671701 0.925385673 orotate 0.566792387 0.598124277 0.732568334 0.815134131 0.664456389 1.313132008 0.981018593 1.100892916 1.052418886 1.018981407 0.893686032 0.780514728 0.722160712 1.032919255 0.978312825 1.937624065 1.831546801 1.620011272 1.870132402 1.441470838 0.788307678 0.633814938 0.757074461 0.701164975 0.813238533 1.257971753 2.709315867 1.227998489 1.570920599 1.695665012 0.644789241 0.80794112 0.661896362 0.708406517 0.626017722 4.001213451 1.595705503 1.091427515 1.852363388 1.714135622 glutathione, oxidized (GSSG) 1.14730433 1.358564866 0.891684822 2.941787832 1.992076481 1.820443378 0.878687377 0.683320517 1.972035866 2.88702968 1.508747244 0.456351799 1.412041491 0.433563742 1.367865746 1.477611387 0.764542986 0.458342843 0.249484755 1.585413636 0.733891795 0.754174334 0.543468302 0.523610624 0.919510584 0.375609993 1.245870713 0.424624879 1.324369663 0.461501205 1.454942943 1.083397222 1.075211283 1.1025613 0.657479915 0.50235335 0.460500426 1.296287461 0.926994049 1.073005951 palmitoleate (16:1n7) 5.045314884 2.066091436 1.021364962 4.048278571 0.555644231 0.14531937 2.078729524 0.849962556 1.797120083 1.183413321 0.199430977 0.845487087 0.65138964 0.395704633 0.845809286 0.978635038 2.963196816 2.006564142 0.76276682 1.642694143 2.034624425 1.037529204 0.450572006 1.022742082 0.300264668 0.879877248 0.292758719 0.666984378 0.226710634 0.122012748 2.450397184 1.575234961 2.194310855 1.761132143 0.365210549 0.850243612 1.251261416 2.198631268 1.115428184 0.592260512 phenylalanine 1.010858157 0.869658007 0.884136306 0.976006666 0.966995717 1.194309925 0.965485859 1.167026746 1.115204609 1.317113311 1.131486994 0.922961239 1.130037304 1.008567353 0.977499538 1.141492871 1.174451317 1.08830801 1.802407655 0.859639867 0.807861625 0.809119451 0.834244326 0.742405003 1.435844485 0.929872903 1.140364621 0.919715478 1.310504852 1.243702034 0.839354297 0.8529731 1.084887474 1.040648889 0.977078588 1.53667865 1.380639578 0.957376707 0.991432647 0.908064791 phosphate 1.247015109 1.089631794 1.475795685 1.258461323 1.005388415 1.34984783 1.191208663 0.95041372 1.134268891 1.858586207 1.13118986 1.115049157 1.099558194 0.829353152 1.270595863 0.851787644 0.824258454 0.731790903 0.511306221 1.177358913 1.168183331 0.814168752 0.734336395 0.677595328 1.070241448 0.638775249 0.889962004 0.569824824 0.971955734 0.662091553 0.928316386 1.017588447 0.999052638 1.133882243 1.063080608 0.61390605 0.476118314 1.000947362 0.645027718 0.794015288 phosphoenolpyruvate (PEP) 1.97336107 3.052446253 3.486516842 2.367813194 3.105333402 0.209013147 0.744119302 1.006146251 3.554512727 8.356152763 0.417074007 0.371641458 3.557940719 1.125125906 1.670936622 0.367724776 1 0.720987224 1.27828034 0.88920499 0.394106816 0.581223348 0.988445909 0.106050305 0.4174229 1.022160675 0.199878604 0.669762096 0.325990253 1.778666871 1.422968147 3.351700793 2.110918078 0.268328528 1.592550419 0.310919751 0.320767612 proline 0.714843063 0.525935728 0.70947172 0.996426576 0.90215197 1.15797791 0.63430715 1.246148498 1.03814146 1.378903387 1.286119412 0.810333085 1.048708862 1.258992034 0.988649483 1.169269948 1.879423783 1.678164895 1.774521143 1.244511799 0.584856988 0.457742529 0.65849683 0.64782916 1.719788856 0.829353881 1.10647857 1.003573424 1.231196702 1.942139998 0.513228291 0.595138565 0.820042475 0.693413015 0.858336385 2.110080397 1.812402277 0.85295708 1.032684244 0.98301745 lactate 0.880756973 0.619497407 0.58221661 1.153653541 1.226975218 0.865438518 0.552700359 0.552922949 0.724485361 0.987403399 1.254977945 0.96702052 1.180097623 0.752210822 1.012596601 1.045825033 0.788127746 0.521482846 1.634113872 0.870543672 0.977398564 0.877310136 0.855449046 0.751603092 1.150025494 0.77136241 1.091969659 0.747754823 1.110713891 1.024422914 1.15379355 1.049560807 1.061151513 1.02509481 1.034612347 1.363255469 0.787029918 1.100292664 1.040467993 1.165929239 pyridoxal 0.927403416 0.938070781 0.984744994 1.229106535 1.101948005 1.894096686 1.39005851 1.968611449 1.165605879 1.610530286 0.902852898 0.690063896 0.902948432 0.689444923 0.908190386 1.104709435 1.82126816 1.473743074 1.50615184 1.709307635 0.619284156 0.602421415 0.556609827 0.512504646 0.770924175 0.692863806 1.26988464 1.015255006 1.958140953 1.109497138 0.483447012 0.62148042 0.62969696 0.730157991 0.630383206 1.557362281 2.036605384 0.826522142 1.456157205 1.065455345 retinol (Vitamin A) 0.718114142 0.926167409 0.992264786 0.938132013 0.792384518 0.595637346 0.806582401 0.792271789 0.686898032 0.598639971 0.91381269 1.133189795 0.488137715 1.033701343 1.094602916 1.069168018 1.052500634 1.055721974 1.235649525 0.990312323 0.656680273 1.287887086 1.001818679 0.998181321 0.458626846 1.20644443 1.036108624 1.373451017 1.29022919 1.141419571 0.880808419 1.015312276 0.667038643 1.069759341 0.77898153 0.989142454 1.038771289 1.036899735 1.589276403 1.090216439 riboflavin (Vitamin B2) 0.391337506 0.341255522 0.678296402 2.076363286 1.200641027 1.622340009 0.673582024 0.762404594 0.530533072 0.783497872 1.531195373 0.865344206 1.133469674 0.951232582 1.08181623 1.248856528 0.569494424 0.679920042 1.548591808 1.387524259 0.701177892 0.9359816 1.075363814 0.678224151 1.502102303 0.533738207 1.009912436 0.90602754 1.248902688 1.27733747 1.124833672 0.867784684 0.406975834 0.865275969 1.081242236 1.932507531 2.742304767 1.046549714 1.432659058 0.990087564 salicylate 2.6229947 1.543919821 1.988705208 3.491176549 2.612636063 1.503675306 1.356174196 1.064731442 23.29406961 5.782025349 1.43027758 0.51118037 4.570101463 0.69074503 4.186329585 0.852327907 0.053465226 0.442175536 1.05233518 0.703678329 1.015703034 0.64319501 0.142201585 0.177658105 1.789641647 0.393042034 0.512034813 0.325037828 0.984296966 0.871844285 2.934096475 0.553902957 1.082052201 0.760537472 0.851502512 0.122542799 0.057298408 1.682896583 1.071783543 0.540127496 serine 1.035423344 0.68773928 0.805701355 0.962613069 0.988714065 1.165513648 0.736438913 1.354547914 1.001286724 1.414047419 1.566629003 1.079158974 1.35476457 1.31375473 1.214568124 0.998713276 1.194498901 1.495355448 0.695274312 0.994816238 0.968282544 0.794288209 0.987297977 0.995216328 1.922456998 0.943430802 0.801407102 1.055334342 1.07068845 1.48631818 0.885001795 0.828844249 0.781422093 1.0750311 0.830707518 1.174703436 1.329305441 0.978472947 1.091804561 0.884448033 serotonin 1.226685762 1.493141726 1.237093429 1.061206334 1.214547779 1.12543259 1.445197644 1.211081518 1.125169699 0.87365851 0.884043765 1.021915274 0.82551596 1.169415544 1.257007994 0.547826404 0.677574997 0.572370371 0.22166829 0.7497938 1.176602842 1.12440202 1.062510727 1.020834299 0.574206709 0.996261213 0.830447702 0.936010754 0.853400575 0.936313696 0.913168618 1.030552606 0.819527094 1.114607402 1.017676646 0.44625256 0.525197751 1.003738787 0.646858079 0.704830134 spermine 1.57371926 2.705082722 1.78498633 1.228819754 1.382533157 1.686054648 2.175249643 2.696138723 2.590078218 10.55458165 1.022251581 0.439557025 1.734264171 0.830877701 1.120939601 0.691725962 1.025099533 0.996300345 1.068460385 1.296388198 0.436016086 0.656604946 0.830768165 0.747115722 2.394870557 0.536610937 1 0.455629847 0.714554287 0.751459184 1.270434726 0.837501313 0.971916153 1.509021123 0.593815876 0.43755407 0.973691093 0.383863245 0.344298172 taurine 0.977128874 1.073111561 1.071889043 1.029221932 1.046329885 1.051360602 1.001252082 1.100099899 0.947766025 1.853891699 1.270856412 0.949875942 1.298610971 0.957286276 1.253911541 0.906602848 1.007795852 0.842838756 1.026312692 0.999028201 1.000971799 0.962371766 0.964103626 0.933484564 1.461415746 0.800574817 1.030269761 0.757469031 0.970572762 0.856809974 1.077025006 1.049859254 0.99818307 1.209426266 0.87122664 0.687799838 0.673466936 1.082642299 0.860613566 0.856244838 myristate (14:0) 5.058296136 1.372965835 0.769541453 1.69609151 0.527948689 0.161874562 2.325017019 0.972609843 2.617570251 1.444153122 0.183523959 0.878798282 0.831068196 0.454646369 1.129118893 1.072621552 2.936557239 1.960008686 0.967039331 1.676496728 2.277057382 0.942636019 0.546450159 0.932942114 0.376722649 0.759281505 0.353120647 0.583494955 0.27419729 0.201527203 1.724220118 1.265797536 2.120035757 1.336026222 0.580172942 1.178928238 1.401080521 2.344414156 1.027390157 0.472258406 thiamin monophosphate 1.062637672 1.39654156 1.494303744 2.129387382 1.603936419 1.177116759 1.06538502 0.79393652 1.787210756 2.364210061 1.235587369 0.685881137 1.418251601 0.675844707 1.596313463 1.179337096 1.022255393 0.996412352 0.479085155 1.245828166 0.646657686 0.975196385 0.753889613 0.749138272 1.058402114 0.8025334 1.147833918 0.904135134 1.256591484 0.922147857 0.861557223 1.215778014 0.898862021 0.871524033 1.003587648 0.666469287 0.504204304 0.523822767 0.694242958 0.97691067 urea 0.975896158 0.980616933 1.17086827 1.074462095 0.869961801 1.339863548 1.518819218 1.46846277 1.193000656 1.057034002 1.075077133 0.72886953 0.708672201 1.095814309 0.850681753 1.087864821 1.324644522 0.94336243 3.609557165 1.063504984 0.790376373 0.814755788 0.781365101 0.736283269 0.708816755 0.916603166 1.607603731 1.019383067 1.084455587 1.090924799 0.710780695 0.796847648 1.161657359 0.888789398 0.90094886 1.319222329 1.239404518 0.898288816 0.773333756 0.834993671 uridine 2.340360111 1.953055338 1.409343332 0.593872054 0.654301292 0.021390876 3.703819008 1.750529343 2.534356771 2.370258267 0.048245379 2.426311675 1.793175203 0.985956283 0.332977762 0.347931867 1.528194543 1.35029946 0.035131347 0.939005783 1.79272082 1.276162995 0.053731869 1.318037441 0.028288842 1.701256981 0.35037292 1.934545141 0.617707389 0.132954118 0.457026326 1.014043717 2.734460686 1.306663428 0.115781125 0.062479963 0.062653316 1.562685181 0.706988664 0.413832191 2'-deoxyuridine 0.893607918 0.884139783 1.458837267 1.586067148 1.310409881 1.017747929 1.144774091 0.962239267 0.911441582 1.675978562 0.911353909 1.26383752 1.162861147 0.9146092 0.838156555 1.063253725 0.865446511 0.886367021 0.290531803 0.979284295 0.994092501 1.005907499 0.922410731 0.943014628 1.036952715 0.877445204 1.269572632 1.306492778 1.167476485 1.596384582 0.910739683 0.92095726 1.243842608 1.132557151 1.189166971 0.84650581 0.412846519 0.591493977 1.022745144 1.093142316 trans-urocanate 1.2852653 0.425082589 0.718589516 2.18015023 1.045884294 1.994768942 0.976132383 1.022463557 4.024059474 3.529761115 0.928409846 0.517715395 1.534028932 0.599982748 0.984677523 2.846804966 1.260478785 0.886255314 1.728442182 1.185761366 0.79045428 0.535672383 0.396394425 0.432813852 2.925465888 0.466560549 1.320241938 0.45228177 0.780255289 0.836883265 1.346339424 0.49980205 2.449527564 1.507485396 1.340814359 1.56137652 1.015322477 0.77901463 0.967578183 0.534916822 glutamate 0.956150976 1.095434464 1.018113857 1.309190029 1.404395061 1.012116592 0.805179421 0.928654324 1.120665851 2.121209224 1.504654752 1.060950595 1.519416151 0.975001599 1.431238087 0.927365997 0.901187483 0.841784096 0.468708034 1.726985204 0.963213431 0.987883408 0.899909571 0.846107202 2.268230079 0.522604077 0.881100876 0.559158883 1.132219664 0.695441886 1.4560664 1.365349942 1.096309172 1.592905668 1.239568439 0.6217045 0.412078012 0.909832282 1.047209393 0.919582172 glutamine 1.106017768 1.022033731 1.070562671 1.099949719 1.126959607 1.076301808 0.92456949 1.034769129 0.996962289 1.336403167 1.101458348 0.959096359 1.095581153 1.012407803 1.104814979 0.876041157 0.674460237 0.858063188 0.840217836 0.710882886 1.021482349 1.027584596 0.972504091 0.968882838 1.397153804 1.040417474 0.773519191 0.779063724 0.899431553 1.003037711 1.104735986 0.876016068 0.860531387 1.072853209 0.931101845 0.831956513 0.783119431 1.060684782 0.831495554 0.769804203 threonine 0.843943879 0.625347271 0.698600016 0.802471558 0.898102058 0.972217187 0.670967404 1.205227081 1.140806332 1.361068174 1.375442453 1.065654952 0.819849686 1.424477999 1.147442947 1.172778335 1.823334976 1.556736825 0.791933327 1.291933555 0.529088843 0.619525033 0.715694521 0.717877273 1.184196821 0.866048128 0.801279036 1.028185627 1.083592779 1.389644194 0.835540818 0.900263189 1.033022246 0.874976921 0.952912911 1.758525708 2.163800836 1.050425016 1.027782813 0.872417295 tryptophan 0.997005203 1.026664034 1.109006482 0.958859907 1.247023119 1.123472699 0.974951376 1.184202208 1.002994797 1.715341336 1.236423418 1.194244978 0.930637355 1.181440541 1.156002543 0.751684038 0.894288421 1.125754426 0.780119141 0.611796246 0.639870539 1.032916293 1.058534397 0.946927817 1.291503831 0.772355045 0.86710428 0.824236886 0.943469978 1.026671799 1.018662696 1.1321897 1.095759643 1.033934855 0.922848341 0.872239906 0.711617847 0.769548882 0.828544918 0.807812147 valine 0.815730851 0.715500113 0.755210221 0.653478282 0.815849026 1.0084753 0.76326171 1.178058409 1.302735799 1.269427456 1.417476752 0.908803834 0.793546589 1.135028129 0.9915247 1.63777487 2.666982906 2.356421321 0.809199637 2.04069492 0.625302584 0.756818102 0.721992076 0.683166677 1.202999286 0.865916283 0.867859177 0.983555906 1.197624947 1.214183598 0.727801014 0.78866526 1.427882313 0.951639337 1.246916545 2.674560413 3.240982127 1.562315199 1.857857343 1.221708085 glucose 0.676444235 0.735707785 0.66762081 0.656279547 0.651891931 1.326057095 1.229787492 1.519952511 1.34183604 1.371022049 0.751938455 0.836477802 0.974905824 0.640830718 0.830883085 1.406252196 1.603269926 1.521304382 1.573641287 1.438613703 0.69226274 0.852162211 0.850359018 0.822779299 0.597026661 1.389093808 1.248069034 1.59379135 1.442317722 1.112502208 0.90968506 0.88583195 0.640494962 0.791719269 0.710118391 1.464036328 1.337504257 1.025094176 1.502418368 1.146596253 adenosine 0.46925405 1.688342473 2.383695336 1.165325919 1.982714355 0.029255807 0.023372154 0.04421529 0.091884222 0.576373844 1.110506475 2.365930866 1.425880337 1.939977638 1.90348207 0.03532533 0.993331679 0.533189934 0.029353254 0.695677072 1.8901013 3.901052791 1.695973914 1.983527122 1.248984805 0.045896435 0.718778476 0.664100915 1.006668321 1.759743676 0.865667209 1.163650822 1.946916578 0.950365838 1.164605779 0.026486822 0.033690345 1.844376419 0.037409752 0.541734305 betaine 1.173983138 0.987399352 1.021550601 1.244709936 1.282239644 1.68658715 1.227648408 1.670305018 1.0956796 1.687900113 0.996567405 1.003432595 1.412659464 0.815570075 0.917623427 1.120391227 0.985214476 0.813696886 0.98184692 0.97419397 1.434980712 0.867385725 0.89567732 0.910442612 1.24329143 0.958637652 0.827991764 0.950813462 1.110821263 0.974718291 0.749063548 0.774673646 0.635966575 0.974619445 0.779362485 1.367383417 1.646206192 1.167551781 1.538070109 1.057537287 cysteine 0.902744781 0.999103364 0.897328707 0.803264845 0.851261671 0.738105169 0.855162667 0.850573924 0.690493352 0.878882955 0.989111654 1.322224941 1.024153407 0.976903731 1.045384449 1.008055087 1.459428453 1.031634953 1.046389295 1.000896636 0.875026164 1.268219535 1.115717285 1.066365882 1.023946051 1.012763614 1.119732766 1.291052948 1.032264272 1.266135936 0.820216992 1.000995364 0.776055204 0.915857009 0.959154512 0.883218325 1.23487414 0.804638246 1.003341679 0.870771254 mannose 0.598475007 0.934464566 0.88162853 0.590120543 0.469909582 1.133195172 1.505412037 1.3620456 0.975851591 0.897936384 0.692190979 1.113121333 0.952270675 0.542936183 0.74626725 1.609839368 1.495552428 1.509972349 0.901843301 1.465482331 0.835333764 1.225168587 1.058702826 0.977185316 0.499752795 1.553520765 1.355092973 1.860988409 1.379820796 1.046177727 0.905104136 0.970623497 0.487333288 0.852164468 0.635675496 1.145816488 1.444206545 1.022814684 1.783713545 1.166343166 dimethylglycine 0.675600059 0.793712017 0.982219781 1.049586712 0.868315451 1.47517193 1.107277082 1.17784658 1.017780219 1.450145872 0.587397291 0.534068356 0.629299251 0.419404703 0.556731235 1.85535067 2.608663327 1.592447697 2.928496315 1.827725102 0.563316159 0.681283013 0.550280075 0.541351415 0.465262106 0.863158385 1.327859868 1.1691827 1.208536911 1.051878596 0.551809639 0.47007618 0.445686972 0.541216549 0.419879382 2.121158943 3.667764719 1.442869561 2.493787688 1.183023329 alanine 1.163028256 0.811441739 0.814725753 1.086342701 1.138246052 1.192261059 0.67591985 1.307155949 1.197718868 1.250873121 1.642931926 1.014700059 1.004039361 1.132639015 1.288601706 0.837541413 0.922936645 0.781399285 1.182958633 0.914997879 0.844466808 0.769693747 0.910858076 0.839968901 1.398616074 0.937412455 1.004979637 1.009047882 1.270938785 1.36833641 0.810247717 0.917355241 0.996623786 0.954716163 0.90048245 1.264815703 0.910166105 1.003376214 0.769508665 0.907168389 tyrosine 0.911619618 0.774214256 0.689092564 1.018641375 0.922311138 1.098147618 0.732410065 1.19093887 0.886267043 1.413051849 1.620022449 0.853313667 1.485951012 1.51875085 1.193941845 1.024826235 1.445998245 1.552682963 2.031491723 1.126525224 0.730361362 0.50692271 0.761101165 0.741651088 1.544784159 0.739870336 1.104984876 1.153323575 1.291681247 1.533560978 0.560698727 0.807830665 0.724222869 0.719456527 0.616480997 1.817518268 1.537552615 0.981358625 0.949039746 0.943188102 malonate 0.762101738 0.818527423 0.84511605 1.237443756 1.00124949 1.753732453 0.751093656 1.081131415 1.293115154 1.178846271 1.194040808 0.769456845 0.674169246 0.71612003 0.988031733 1.291409949 1.23208477 1.268186604 1.209614101 1.881228763 0.943102482 1.088940222 0.92569424 0.643540025 1.466167677 0.702590405 0.890545742 0.71936685 0.99875051 0.91395363 0.95656925 0.837777866 0.67448595 1.045608996 1.139754687 1.391889719 2.180591366 0.92725842 1.534520127 1.06343951 pseudouridine 3.224122018 5.112782234 5.975601641 1.397966788 1.046973483 0.057279163 9.90238571 4.329386464 3.023499888 4.92076857 0.086509868 1.941502325 1.308667215 1.001135103 0.265837945 0.256613877 1.440543109 1.560873956 0.250470542 0.473024994 1.890136212 1.247858536 0.143654849 1.515380096 0.039544545 2.951895041 0.732771282 4.568954763 0.527460054 0.249161366 0.345009538 0.777875291 2.334183451 0.998864897 0.086644049 0.147040211 0.048283565 0.77473744 0.434003576 0.187440616 pyruvate 0.91305556 1.007680395 1.131054089 1.334412948 1.049607659 0.536335397 1.092991832 1.152120176 0.894522522 1.005172474 0.767496427 0.792165603 1.120519012 1.07446159 0.920360834 1.027162264 0.984939492 1.117495898 1.616066578 0.752658675 0.994827526 0.729620886 1.026483266 1.017431605 0.96412138 1.360574545 1.196582377 1.34726273 1.129379891 1.331152353 0.609288825 0.803390134 0.69607874 0.839221349 0.950257006 1.014111132 0.533167869 0.613993183 0.935234027 0.967616768 uracil 0.67965977 0.402754597 0.529932833 0.844180544 0.765427471 1.416649988 0.664357553 0.507452803 1.020396455 1.254597672 1.027555447 0.993661236 1.586742352 0.396024608 1.093702663 1.486591611 0.670350919 0.355751058 0.428880987 1.896035758 1.319671663 0.938033505 0.567743244 0.48105514 1.730112249 0.560113992 0.768961243 0.496189193 1.154510555 0.556591198 1.006338764 1.134053408 1.111168856 1.338639061 1.234597488 1.377144225 0.898350372 1.10836741 1.390856244 1.093781017 xylose 0.900434031 1.174962782 1.384707871 1.245027839 1.675379817 2.03140511 2.164333893 1.31992421 1.499296548 0.975144703 1.130583944 0.891825796 1.118875484 0.64382363 0.855048014 0.986456586 0.834290678 1.312792121 0.797651384 0.4712529 0.86960805 1 0.96485259 1.157551169 1.259493452 1.191279086 0.845608856 0.957890463 0.998250026 1.098281815 0.86887155 cytidine 0.942009531 0.846024478 0.790499762 0.97007501 0.956230127 1.435272036 1.152329619 0.885222113 0.950309325 1.294331515 1.328527677 1.249113176 1.33848536 0.70296565 1.073425146 1.013494096 0.585000173 0.58374305 0.687862378 1.219301927 1.518342897 1.455128631 1.080236462 0.998108939 1.555396677 0.969783489 0.724828626 0.801944638 1.096429392 0.716138399 1.319767447 0.977900529 1.104472171 1.297983726 1.136299234 0.702777849 0.462954351 1.088970427 0.872894983 1.001891061 arabinose 0.683506526 0.720975699 1 1.216210652 0.961921963 1.484571817 1.526700181 1.733795407 1.015488777 1.102013045 1.041582285 0.210542531 0.593923342 1.105320179 1.111988471 1.258087878 0.697457814 2.476732522 1.504579614 0.804333003 0.750967684 0.525754034 0.856562362 0.891163892 1.279357204 1.135434811 1.482242952 0.889689188 0.872836674 0.89239622 0.479081829 0.680387745 0.701531502 1.697669529 1.315277208 uridine 5'-monophosphate (UMP) 0.297793544 1.267223961 0.995102299 0.961566029 1.004897701 0.07837444 1.136875653 1.223587762 0.702307147 1.403155509 1.059278319 1.457983095 0.15002612 0.076784793 0.600305159 0.926007879 1.113567719 1.172679741 1.022066668 1.471373886 0.023714906 0.308834421 0.069704878 0.226628126 0.317478723 1.232429586 1.076759883 1.380723969 1.400037961 1.332840523 0.571952523 0.061043035 thymidine 1.487117181 1.715708607 2.397297451 0.834425181 1 2.304501234 1.551876547 1.468305833 2.697678219 0.064552405 2.256164122 1.413222731 1.18419528 0.303231338 0.23790668 0.78278607 1.098412294 0.574301339 1.58800564 1.196046978 0.093689029 1.516747431 1.249556106 0.810863108 2.516700546 0.610134391 0.578476057 0.265382258 0.841663457 2.175981139 0.819987475 0.157506689 0.421226562 0.28933883 0.461214238 thiamin (Vitamin B1) 1.029969293 1.076125089 1.025730601 1.673824683 1.346809321 2.159410828 1.925000352 2.685148126 1.708796815 2.688465035 1.115408035 0.861133883 1.151362395 0.507309873 0.997017941 1.413822011 0.806359206 0.917782349 0.587874565 1.076454101 0.523895105 0.620341671 0.589992881 0.597761413 1.087860999 1.01618925 1.002982059 0.952966724 1.123816733 0.739852054 0.461149269 0.648333114 0.586756336 0.674286605 0.402958087 1.220296269 1.210170389 0.751488368 0.887656792 0.908785001 fructose 0.592874431 0.539106115 0.52088549 0.738661732 0.545456878 1.390844379 1.22100179 2.098422342 0.92528391 1.492840633 0.757583911 0.802707642 1.026645008 1.099263546 0.781455534 1.257703422 2.829058285 2.222521509 1.448055505 1.001615673 0.522234278 0.652921937 1.041011847 0.846410403 1.680416024 1.224713386 0.787885125 1.637103885 1.47345498 2.33626761 0.678829971 0.79414674 1.026880979 0.706128812 0.951557579 0.998384327 0.836394822 0.640328442 1.152253366 1.10927689 adenine 0.726234936 0.87246507 0.736881448 0.462788802 0.843869707 0.452375515 0.577075564 0.796468445 0.777234271 0.67092835 1.170394883 1.114780386 4.196507121 0.894121687 2.087331812 1.331635462 1.016063209 0.750874637 0.569913928 2.166575255 1.87159035 1.428526846 0.81515298 0.860573911 1.511448214 0.436373487 0.760526733 0.668119977 1.615014612 0.930651047 2.575427816 2.768187994 2.293598722 2.321124816 3.063936424 0.983936791 1.628413817 2.546082597 3.405959333 1.483956129 cytosine 0.966938767 2.492444817 4.027378024 3.787926489 3.654759357 3.350849944 3.326030027 2.338939693 4.723455374 5.149899066 0.592813255 0.658187815 0.610155207 0.568645274 0.715508588 2.088934729 2.263897499 0.988238668 4.06146625 1.56775286 0.708376998 0.650477094 0.487844859 0.42788766 0.547164462 0.724541935 3.352980045 1.339700837 1.011761332 1.30535669 0.50515813 0.688554157 0.607387511 0.686818969 0.883022073 2.499628253 1.685629819 0.726477888 1.01557698 0.856747157 thymine 0.991975799 0.742712781 1.457857924 1.701506147 1.517914995 0.519180845 1.223662812 0.958862022 1.255015126 1.748284666 0.805505374 1.598487417 1.312059903 1.264410307 0.64041065 0.643126864 0.483509623 0.517573859 1 1.366135296 1.136986419 0.320086249 0.854448712 1.108384647 0.679349482 1.110669613 1.703216117 1.215048596 1.793692205 0.498654766 0.792252569 1.164026261 1.081387715 0.885002896 0.324493124 0.307292583 0.743437963 caprate (10:0) 0.735343984 0.470762532 0.505140694 0.548977562 0.715316957 0.917051748 0.421569137 0.439018402 0.575379114 0.524741358 1.11132122 0.809415373 0.94493788 0.640438507 1.215138 1.640690475 1.449028859 1.133900789 1.519411055 1.593712678 1.056071712 0.975183004 1.218106683 0.756884347 1.274587992 0.695038392 0.922089768 0.504316436 0.967275273 1.024816996 1.265663218 1.108980092 0.946825704 1.046780378 1.289970881 1.894611991 2.587964419 1.278922221 1.613225261 1.184634077 undecanoate (11:0) 0.628195123 0.572399159 0.735288509 0.853694857 1.171212829 1.706243147 0.475721951 0.715468284 0.68991441 0.710569277 1.286668482 0.792134376 0.855010384 0.99793167 1.039273897 1.085539501 1.072579592 1.148912233 1.101436702 0.938784545 0.819053735 0.976712657 1.294895094 1.028763492 0.99177481 1.193361118 1.326200489 0.791951608 1.256256622 1.487652873 1.00206833 0.883074279 0.630232788 0.837100699 1.607873909 1.325064482 1.179629926 0.951977991 1.05513292 1.418167551 margarate (17:0) 1.125316948 0.80983981 0.70795699 1.17343954 0.708759528 0.794274172 1.738070717 1.280652416 1.525005308 1.696313715 0.574302164 0.797617385 0.752205509 0.614184722 0.975599684 1.440646183 3.752863829 2.893579695 1.372671017 2.157204819 1.256949246 0.812389947 0.802790689 0.897472079 0.740848468 1.131558509 0.834162906 0.873632348 0.833208709 0.579354726 1.281277399 0.872541047 1.207475268 1.024400316 0.688427671 1.688183515 2.036870148 2.196211375 1.68990146 0.784909572 nonadecanoate (19:0) 1.045881611 0.740998481 0.787459758 1.195832935 0.964603072 1.428597522 1.070756251 1.200235194 1.536725284 1.814569988 0.746982504 0.866477026 0.602839888 0.623400188 1.053771428 0.990852844 2.23547122 1.924833497 0.723346336 1.20460771 0.913392182 0.900082809 1.022914469 1.155229239 0.914543782 0.997875914 0.838782284 0.59273335 0.785903152 0.555297504 1.036884744 0.634779527 1.082096151 1.004879592 0.754106596 1.058046329 1.060893031 1.411771766 1.002124086 0.680258098 arachidate (20:0) 0.915072622 0.443209963 0.470662896 0.802474466 0.530026177 0.897813743 0.459416561 0.593467296 1.00997807 1.086958343 1.035006413 0.965579333 0.82739659 0.908279895 1.077701796 1.119614736 2.574785232 2.017468969 1.035047017 1.268639171 0.856274627 0.872642326 1.074123142 0.627624507 1.015877098 1.698883879 1.026830446 0.954157388 0.697227254 0.776083915 1.438916941 0.826289712 1.293797168 1.159081282 0.932168081 1.626515912 1.530238585 1.773225324 1.240820455 0.99002193 maltose 0.63722357 0.10802017 0.238868556 0.20673413 0.416770645 4.23942295 1.134734085 1.992498041 6.258565783 11.06929578 0.212751355 0.420226794 1 0.712519652 1.299789175 1.471034298 1.586076093 4.690575928 2.75490826 0.168542979 0.31232371 0.27985566 0.196078611 3.547152803 1.351041041 2.441496922 1.741431396 2.700962008 1.416255044 0.899553734 0.214135931 0.538484218 0.436594128 0.30287079 1.815834522 1.438743993 0.771558434 1.941583325 0.904464286 ribose 2.477095987 2.704814428 2.59599089 0.364626115 2.127846563 3.675839106 5.020039581 7.264982755 2.759199 5.619969334 0.588291599 1.176810721 0.893324661 1.213623638 0.588659085 1.17209974 1.283265502 1.567272941 2.284280731 0.989676238 0.380251555 0.517415938 0.578088895 0.5932175 0.482146594 1.140302937 0.706291668 1.855761848 0.923686678 1.021061112 0.464154386 0.464206126 0.474824739 0.530578429 0.224330806 1.010323762 0.870223473 0.658851514 1.590996334 0.753538791 asparagine 0.983955691 0.707626408 0.862215484 1.172703105 1.168367045 1.263033109 0.703096579 1.572357565 1.356688243 1.441422654 1.601021178 0.986471541 1.331679905 1.292368299 1.233750762 1.004790365 1.352414768 1.425207012 0.749501615 1.105368707 0.995209635 0.681960186 0.824254749 0.819094944 2.17818577 0.864294603 0.883468898 1.115994992 1.110218699 1.582209306 0.834669623 0.88303366 0.808610922 0.979041873 0.849818206 1.562083007 1.436258857 0.89369537 0.988942115 0.836444892 N-stearoyl-sphinganine (d18:0/18:0)* 0.477687677 0.223064738 0.296923345 0.231439805 0.242678836 0.80517713 0.378464425 0.51650874 0.567428337 0.86188705 1.201510913 0.943713591 3.502008753 6.607312468 4.523061852 13.21242627 3.570467789 0.516281776 0.271242042 0.5676748 0.592650251 0.831069018 2.628512977 4.643877146 2.086692628 3.860441809 4.42033898 0.80035784 1 1.890613264 0.589691913 1.971320582 8.49809498 9.012004159 2.59193348 4.779552763 2.619215233 dihydroorotate 0.696517408 0.633699354 1.014397032 1.02157091 0.944498819 0.790167197 2.066990981 1.721909556 1.008368076 0.479634398 1.291959942 0.786002966 0.558216627 0.853267376 1.055660601 0.940179999 1.845725383 1.422012454 6.982829068 0.625914851 0.87412428 0.791303424 0.870171642 0.808094647 0.507076777 1.527437066 1.17990831 1.878033439 1.231055889 1.401401926 0.520645794 0.755406013 0.795670552 0.606531369 1.565029154 1.563758629 1.451961102 0.991631924 2.483742591 1.562807909 heptanoate (7:0) 0.500008729 0.413185878 0.67250422 0.721636933 1.403175559 2.214762416 0.222084627 0.561389765 0.536874244 0.595060724 2.518370155 0.815246262 1.045989317 0.983982461 1.32801037 1.033376034 0.513609794 0.50055864 1.34243136 0.96445219 0.750787004 1.014567825 1.70577915 0.809591607 2.280690508 0.973068734 1.779911352 0.894515045 1.919420276 2.131416692 1.001759302 1.05255625 0.562352353 0.940268333 1.852253427 1.398696067 1.367661571 0.998240698 1.080357548 1.417384135 caproate (6:0) 0.802663199 0.541822628 0.628004894 1.033369829 0.981517672 1.555114403 0.390684787 0.791220607 0.678122571 0.790190672 1.411413341 0.797463869 0.913239222 0.679341417 1.067025275 1.202329722 0.808883187 0.705016734 1.43895306 1.301058946 0.912760693 0.998835589 1.158026159 0.811531343 1.406438306 0.583443264 0.9914508 0.487518114 1.077264463 1.042129548 1.08615066 1.132250915 0.730073489 1.108048124 1.296342589 1.390978737 1.825599596 1.001164411 1.119940195 1.324844753 caprylate (8:0) 0.655115796 0.483802865 0.611394611 1.058215742 1.016209381 1.703919137 0.287960287 0.575505053 0.642653975 0.727573151 1.529175173 0.701877697 0.983790619 0.669006539 1.216909578 1.389545276 0.867131513 0.708060377 1.525447119 1.316985999 0.782031521 0.956894539 1.464161106 0.766301164 1.563184759 0.589336882 1.100454869 0.515672888 1.129653286 1.161289079 1.475161404 0.956964096 0.630113338 0.954814285 1.343495798 1.784424068 2.012311234 1.054067499 1.300069537 1.202570871 sucrose 0.169401974 0.1284142 0.175002919 0.902376374 0.849682807 0.842952756 0.108347743 0.917792158 0.944397844 3.200567957 0.99716237 0.480009896 0.436912538 0.84191858 1.00283763 0.911174777 3.504376787 2.960875132 5.800835635 2.177039146 0.177383392 0.105873776 1.01755821 0.780798664 60.57087398 2.461911105 3.213593678 2.36941209 4.945221541 4.637798611 6.408302746 0.491926647 10.98145077 14.03651114 13.0788258 3.783440678 2.55403519 0.944524899 0.67895707 3.123580616 pentadecanoate (15:0) 2.135472575 1.532645315 1.265781568 3.03078244 0.884478688 0.651700779 2.499129753 1.618289362 2.140449479 2.503147359 0.396551131 0.86760196 0.790227886 0.63920474 0.87682058 1.083925814 2.296961231 1.815435861 0.907703105 1.384094184 1.24368183 0.91315123 0.639911506 0.897037727 0.537921092 1.021703436 0.559363608 0.821114296 0.522493973 0.35558054 1.41505867 0.943669753 1.352725182 1.107226803 0.575944518 0.978296564 1.206112658 1.639926453 1.153408666 0.762062569 trans-4-hydroxyproline 1.825391676 1.867868978 2.414905732 2.92818096 2.449558315 1.868280712 1.168630609 1.78100233 1.37660106 1.585685498 1.472856116 1.370120644 1.143527021 1.594652495 1.24988064 0.579358097 0.424911002 0.514874963 0.422479304 0.5108846 0.997018769 1.088297856 0.998192071 1.001807929 1.023329121 0.841096257 0.581151216 1.378347938 0.694306056 1.672712955 0.602145368 0.699184004 0.646489064 0.889975528 0.724600049 0.371953171 0.294187514 0.512964839 0.507302056 0.513201139 allantoin 1.035026166 1.283533719 1.87539296 1.883152531 1.516825305 1.757805079 1.624245426 1.623863364 1.289037971 1.8589758 0.952489956 1.002536775 0.822598433 0.692874861 0.862724591 0.997463225 0.949501575 0.823549962 1.827464931 0.917162762 1.009986876 0.92084456 0.842279855 0.856171512 0.829437055 1.063828468 1.62535266 1.385335643 1.208134849 1.412563335 0.814411106 0.702891508 0.775368414 0.970390968 0.623957439 1.055625145 0.918430309 0.792170688 1.099741402 0.867009118 xanthine 1.135678285 1.031622854 0.954400691 0.973606904 1.092734966 1.069069201 0.897524447 1.180684549 1.245817916 1.905545821 1.285062882 0.766533352 1.311203859 0.835692516 1.14941988 1.208987609 0.969481237 0.864426735 0.823309781 1.433954361 0.897198245 0.560305545 0.731256675 0.713523997 0.998483414 0.727605758 1.074519571 0.719489887 1.268089296 0.775834357 1.028779945 1.000818124 0.053619572 1.15164725 0.019580009 0.999181876 0.89065204 1.354799898 1.149121338 1.114536862 5-oxoproline 1.087473061 1.088240515 1.291735683 1.468320839 1.308442505 1.547738843 1.132919942 1.266851485 1.195680274 1.683228963 1.155855197 0.834892628 1.246421021 1.003609291 1.152919182 1.116401198 0.758835993 0.908040128 0.692988884 0.913138322 0.971906708 0.937781237 0.857798579 0.825831698 1.706024033 0.844493985 0.976309846 0.742221976 0.939733021 1.074269331 1.124812821 1.088100051 0.817690708 1.099045909 0.996390709 0.78942222 0.474210224 0.760272787 0.922731246 0.803396805 picolinate 0.588875393 0.546374866 1.298085716 1.491313066 1.108319061 3.004910637 1.748890856 4.092699603 2.807998647 4.90852555 1.074292973 0.649188285 0.407972812 1.016749735 0.940532547 0.718428571 2.978048669 1.563356144 3.98741456 1.581166397 0.18060033 0.412933367 0.365441046 0.43980441 0.814676463 0.690815829 1.210591931 0.935343404 1.217040314 1.327026085 0.499447789 0.877718694 1.192201025 0.611122116 0.983250265 2.56757194 2.469151299 0.688047864 0.765708344 0.617439214 sarcosine 0.793720939 0.614565298 1.038278598 1.296370854 1.056207876 2.898494941 1.480620443 2.390736004 2.185230842 4.597100911 0.974203605 0.380603255 0.587499966 0.364082622 0.822335172 1.828793094 2.771285031 1.171195141 3.192414317 1.270186958 0.236840175 0.349015117 0.397716538 0.29692012 0.540345975 0.512111339 1.178155822 0.680889929 1.35143994 1.002732728 0.445636155 0.546771728 1.024098228 0.591081409 0.916071092 2.835328222 3.447550315 0.997267272 1.99817573 0.794458808 pantothenate 1.190737572 0.967997205 1.191151876 0.976806733 1.120282249 1.296932396 1.471670641 1.710625429 1.282828933 2.043868423 1.174830766 0.864846811 0.983925843 0.700956214 0.630181065 1.016074157 1.771476254 1.412195205 1.682592438 1.446474004 0.62706531 0.75135443 0.593242006 0.682767753 0.710205739 0.967462946 1.336601384 0.906580165 1.229697118 0.94370813 0.534850587 0.704020988 0.833122853 0.887593758 0.757861382 1.423198987 1.822109438 1.220503132 1.348424632 0.956847941 pipecolate 1.252838089 1.470352081 2.16657092 2.513112082 1.765546658 2.983792041 2.524456617 3.366342972 2.61191887 2.714781153 1.04809891 0.9935838 0.838145536 0.844212435 1.01653422 0.653847749 0.892614221 0.753476691 3.519833285 0.748750004 0.778952563 0.955783118 1.0064162 0.979638627 0.904868035 1.041446537 1.692612385 1.521933292 1.188158919 1.761437982 0.88482123 0.800012194 0.8247086 0.941679261 0.955287709 1.197812462 0.871622096 0.931969478 0.889228053 0.940538113 phosphoethanolamine 1.376462977 1.313317002 1.265351637 1.887700531 1.246922461 1.194423833 0.790846663 0.494818579 1.094655881 1.780054749 1.523732109 1.017370491 1.464442955 1.043632125 1.179405023 0.940348332 0.642196836 0.522149524 0.489274372 1.443864553 1.196736422 0.81064241 0.898524344 0.851728463 1.809281684 0.537532652 0.983657013 0.46973134 0.679357663 0.759181934 1.028727916 1.016342987 1.133659069 1.174735256 0.844028294 0.360501082 0.331351939 0.900680263 0.411848391 0.584018062 glycerate 1.016257066 1.044998901 1.269486818 1.224710087 1.216834239 0.927146697 0.892168585 0.992011112 0.9470756 1.694678867 1.078835769 1.045767224 1.035979269 0.999827786 1.199276524 0.899547657 0.961628109 0.773810067 0.874605911 1.000172214 0.743924068 0.843016359 0.906493326 0.850863259 1.294943107 0.6776285 0.861974012 0.799277553 0.941492827 0.985628938 1.142817848 1.170246028 1.153260205 1.312382474 1.079737593 0.86278432 1.04406816 0.870360189 1.134968956 1.021038886 3-ureidopropionate 0.345430184 0.372763795 0.668816179 1.087489859 0.88603846 1.707842644 0.817922175 0.946667987 1.012036537 2.225420452 0.47939328 0.782118185 1.446027418 0.276648852 0.825281531 1.536434064 1.126902984 0.77505628 0.500823703 1.394090795 0.788132435 1.054141468 0.463743955 0.389840327 0.669101408 0.612323732 1.506697065 1.420742221 1.344669951 0.987963463 1.539455338 1.053909113 1.420978561 1.336791816 1.556370989 1.384316758 0.785887802 0.855553383 1.80238451 1.280140215 N-acetylleucine 0.820189065 0.656711267 0.567721049 0.92064544 1.00273071 1.342239978 0.99726929 1.626772022 1.809914683 2.372428609 1.280996002 0.530760492 0.65093487 0.707085017 0.546444996 2.229995541 7.1683204 4.745810218 1.172922121 4.363268135 0.580243152 0.530728398 0.357320044 0.428418988 0.855248183 0.762173782 1.334654742 0.855529137 1.243887427 1.189645734 0.372992272 0.462500554 1.376139677 0.546583368 0.705918058 3.888974522 7.356031987 2.200017625 3.235561573 1.292691202 N-acetylmethionine 0.721341579 0.685851192 0.597145331 0.950835252 0.952336833 1.411911131 0.842104135 1.387064497 1.258031707 1.763591307 1.049962514 0.838587205 1.489615891 1.014912052 0.683014835 1.220139449 2.133081784 1.39709674 1.172137479 1.43110615 1.268368717 0.678373285 0.50356403 0.699807984 1.08822992 0.840562172 1.293159804 1.150542568 0.985087948 1.147847469 0.489077646 0.908426878 0.910550849 0.643140853 0.543685089 1.45313324 1.787966039 0.819007643 1.033783019 0.88244969 N-acetylvaline 0.783744754 0.855906306 0.718665533 0.777115361 0.722077288 1.138361358 1.120596704 1.352448963 1.22354346 1.339354884 1.105711454 0.836671069 0.640983409 0.709403796 0.633130491 1.25610807 3.801224114 2.164717163 1.337613713 2.328899033 0.764488928 0.741730171 0.444536928 0.711733201 0.961853053 0.998008829 1.370087147 1.194772957 1.016488187 0.950647204 0.640042235 0.610721733 1.30252264 0.790965321 0.838774004 2.231214026 5.131964318 1.531207261 1.711586142 1.001991171 erucate (22:1n9) 1.227650648 0.513810661 0.62109911 1.366489997 0.708887946 0.959286389 0.431817637 0.755073894 1.338098528 1.205046687 1.244456495 1.448101462 0.820202862 0.88882382 1.406493231 0.746205142 2.056018916 1.86118104 0.6696156 0.9840831 1.192529573 0.795876749 1.601443494 0.844365122 1.270601281 2.055181229 1.119721746 0.76110336 0.782756671 0.884527688 1.87398788 0.684976359 1.356552452 1.682836925 0.85187026 1.0159169 0.822734584 1.35997571 0.715681351 1.151415288 bilirubin (Z,Z) 0.01267113 0.312318059 1.222028534 0.786798796 0.056854516 0.197378664 1.873759622 0.921397286 2.384293351 1.667779074 1.146728096 1.08001974 0.644532167 1.884925792 0.16490908 4.009745307 4.177661467 0.075656861 1.35687037 3.493732694 1.557684702 1.221588013 0.095274049 0.067763703 1.864939537 1.078602714 0.618747397 0.038889886 0.868036397 0.88388948 thyroxine 1.684486301 1.738845404 1.405884799 1.396995838 0.88600574 0.795194633 0.577838957 1.124909677 1.429185017 1.104419049 0.720425637 1.515014754 1.528465262 0.661472693 0.857473872 0.943836463 0.946815596 0.792433484 1.048727813 1.385935097 1.332124994 0.474683417 1.304384333 0.65113857 0.889541948 0.705860982 1.004509069 1.589864486 1.118475071 0.629194705 0.995490931 0.56210364 0.350988806 1.259769985 1.374309208 0.650936732 guanosine 2.366628722 2.821911741 2.838354255 2.204754379 1.991118867 0.149305051 0.349649981 0.561344195 1.428712109 2.469998972 0.864616195 1.334611973 0.667844635 1.094044133 1.273831904 0.968680842 2.215127345 1.557421669 0.587009114 2.037493138 1.031319158 0.944112282 0.869290563 0.807713984 0.332808183 0.923148521 2.466575217 2.527747153 3.065090134 2.194751022 0.607268794 0.675148412 0.07048914 0.827521724 0.067087745 0.161284431 0.554940588 1.94932334 0.561281443 2.955770895 gamma-glutamyltyrosine 0.740797341 0.845549973 0.808738994 1.399767583 0.887976447 0.969902168 0.838865965 0.963097046 0.994068085 1.527796248 1.099620033 0.753246373 1.477203006 1.778575514 1.060957711 1.005931915 2.405714239 2.301392036 1.739974205 1.73999434 0.418997614 0.340433424 0.584747202 0.580016045 1.2482645 0.626219663 1.452463664 1.383015772 1.300515334 2.032461017 0.383762471 0.735825098 0.486657227 0.534027527 0.399948303 2.172662526 1.971636462 0.705848948 1.632193368 1.132799218 methyl indole-3-acetate 1.458913306 0.871288996 0.680434948 2.119613467 0.561530818 1.252831017 1.867429861 1.657646069 8.736703438 4.162342616 0.838228795 2.644543026 2.056409232 1.1596826 0.373134118 0.646451482 0.846228547 1 1.298712777 0.506267223 0.539045941 1.581183975 1.425712364 3.300393232 0.568387749 0.792482147 0.489316305 0.753395391 0.808546393 1.879482972 1.383132401 2.685124458 1.16612575 0.780009627 0.984991316 0.653944565 1.820495354 0.451437112 0.491086835 alpha-tocopherol 0.47773713 0.671166972 0.642732647 0.699922551 0.538787523 0.885246074 0.870253324 0.948803699 0.698458747 0.321716713 0.364658902 1.137427775 0.407795694 0.454293946 1.189381878 2.475358581 3.534340946 2.363035091 2.983330716 1.975003806 1.000848403 1.369996775 0.55612339 0.484444057 0.344863523 1.02838299 1.747320551 1.874007549 1.940195599 1.412283666 0.414684987 0.999151597 0.548379231 0.855094688 1.308489469 3.21188475 3.759866814 1.333140543 2.328832465 1.827547158 N-acetylalanine 0.951990519 0.948229831 1.10285178 1.33477742 0.903318449 1.768262731 1.582491564 1.559921736 1.396952344 1.704646971 0.995676039 0.878275108 0.795002986 0.685660925 0.689810768 1.172116109 1.33837938 1.030224912 1.788030696 1.160705467 0.914383767 0.834994197 0.772955071 0.731712916 0.846979323 1.004323961 1.652180263 1.149987627 1.098618837 1.200434708 0.801318895 0.735911782 0.784208759 0.826960916 0.609907646 1.04585735 1.252046973 0.821669325 1.277518232 0.859003466 4-acetamidobutanoate 1.19980426 1.331062497 1.417906344 1.566807853 1.910777406 3.925877564 1.831303417 4.036090863 2.09739093 2.04101022 0.887919832 0.649899189 0.503758561 0.438704731 1.072045309 0.883281652 1.276137737 0.677470452 1.846587133 1.398167172 0.455209943 0.609989483 0.797015178 0.438008044 0.407232857 0.772916501 1.793953512 2.100739197 1.565309352 1.077086482 0.663651864 0.820518961 0.852881925 0.927954691 0.637596624 1.549125366 1.154548841 0.846414004 0.28050934 0.409304561 3-aminoisobutyrate 0.765253305 0.423328835 0.928610373 1.647195896 0.789871705 1.41957603 0.839462396 1.565696641 1.616248673 1.570640232 0.993496953 0.885094948 0.961739279 0.821798157 1.147067951 1.006665604 1.313161262 1.239013615 0.685699286 1.951480316 0.737043101 1.006503047 0.524275786 0.712296367 0.764755523 0.752442434 1.132558402 0.627531977 0.834541361 1.539128338 1.310085128 1.208126281 0.552768326 0.83819772 1.662071004 1.758296032 1.740206346 1.241929525 1.100019833 0.898797158 chenodeoxycholate 0.639782457 0.61974669 0.81019182 0.386149389 1.243122772 1.57379745 0.335158441 0.51530396 1.195220422 0.331884883 4.43877681 0.419711167 0.45035951 1.756558753 0.995297591 0.848824091 1.759024486 3.125422898 1.512730435 0.607231225 0.488108625 6.440747069 1.276374649 1.426102721 1.262223937 0.963240608 1 0.937784025 0.611098862 1.056123911 0.98833217 0.875012555 2.854265731 5.795394971 1.878059506 1.941449552 1.822203849 citrate 0.852869858 0.993866875 1.154444823 1.036205417 0.886285897 1.550484932 1.533225 1.489697142 1.110327128 1.401574924 0.969977958 0.837604566 0.920261019 0.74032395 0.802009603 1.013291442 1.284420183 1.204684477 2.145367923 1.251925853 0.799774143 0.742372633 0.828011121 0.804316339 1.006133125 1.037905919 1.69023005 1.278745085 1.417940253 1.495248777 0.910549066 0.812413146 0.773648872 0.85926674 0.71701844 1.347497468 0.720677079 0.699102547 1.085859136 0.952166359 2-aminobutyrate 0.540366816 0.534065746 0.69737809 0.810428283 0.601523627 0.899247599 0.871979395 1.051488225 1.093039371 1.233282853 0.707733948 0.651107468 0.963975426 0.63743464 0.584837148 2.16965341 4.81757583 3.495889568 1.769644626 2.949176932 1.036024574 0.866807809 0.71813641 0.704349766 1.090199026 1.277981763 1.164203249 1.672898965 1.150048439 1.43818969 0.632244666 0.624874323 0.853013888 0.653604177 0.840360588 3.611707447 6.673333981 2.168410631 2.89696307 1.297688638 urate 0.821432285 0.884692811 0.726533183 0.870808434 0.936724965 1.295089011 0.905389744 0.797341417 1.063275035 0.850548406 1.110513057 1.486056316 1.925917285 0.608350849 1.353929265 1.481254747 0.527999542 0.449520441 0.401454304 1.086565579 1.328011135 1.713131067 0.824146476 0.887487523 1.408260839 0.873850542 0.776695035 0.795750634 1.574144088 0.521918907 1.496611354 1.569183857 1.921748214 1.657427087 1.631483468 0.603905113 0.46510892 1.425297263 1.099065206 1.140573443 ursodeoxycholate 0.373862743 2.502864273 6.714887057 1.102846715 2.010084879 3.124196923 8.061438194 0.515398461 0.362589942 3.096980575 0.312458169 0.570002995 7.296284882 0.249766058 0.698329626 2.626745538 0.79183796 0.386443004 0.128680268 0.272454857 4.887180474 0.42789822 0.277077041 0.252210387 6.08972666 1.829143545 2.998591056 1.49041538 1.068779274 1.547870178 0.179247862 0.243924822 0.43327126 0.414375342 0.220432869 0.931220726 4.311261531 2.734132877 2.055336712 1.511227662 valerate (5:0) 0.760255676 0.680002485 0.584026122 0.558393847 1.007801164 2.262885707 0.795315387 1.161233992 1.45024726 0.849398467 3.653901306 0.615160997 1.363408991 1.065281457 0.777628095 0.926116583 0.723817337 0.529888578 1.008226667 0.964205872 1.145452952 1.056407175 1.242976442 0.636609732 6.991179331 0.728697 1.385017714 0.834819047 2.91213627 1.512998678 0.809071034 0.787921854 0.671078845 0.992198836 1.380548235 1.063484134 1.281605268 1.017587724 0.874736295 1.286284094 oleoyl ethanolamide 0.781768978 0.885383994 0.872479556 0.877662612 0.803787509 0.668695239 0.909037008 0.762992813 0.90943957 0.820838156 0.983160979 1.205171706 0.971203535 1.064169878 1.219554569 0.774713803 1.234086989 1.251617045 0.96227033 0.788821789 1.436010418 1.459431708 1.233592801 0.999240985 1.218553781 1.351331173 1.235703147 1.008107983 0.688678498 1.017746411 1.607245757 1.319904165 1.10280339 1.5581882 0.978582061 1.000759015 0.958537324 1.572519043 1.123503103 0.739998912 gamma-glutamylglutamine 1.178318636 1.343030734 1.269196223 1.501969793 1.177898387 1.571138782 1.423769145 1.297742156 1.040332855 0.599352206 0.678683537 0.877270282 0.727582013 1.022884214 0.799808262 1.019078564 0.808016105 1.191338663 0.442163464 0.887566852 0.740974085 0.716721492 0.819981194 0.884863255 0.520748887 1.067011992 1.021836249 1.268688186 1.007911875 1.426509399 0.729173912 1.004489446 0.493554742 0.763942849 0.763598661 1.335453354 0.641098115 0.49572947 1.63334899 0.995510554 4-hydroxyphenylpyruvate 1.429977526 1.684332825 1.502664252 0.945551107 1.219509729 0.088375855 2.538019967 3.103516131 2.454013565 3.863491403 0.062614104 1.378411559 1.235492351 1.782039772 0.531598089 0.47018973 6.282491854 5.117593363 0.35550587 0.750884521 0.964784387 0.826381667 0.240620378 1.046578619 0.020937616 1.601799374 0.707256424 2.582322287 1.035215613 0.535618009 0.359563632 0.916478901 1.781715081 0.713700545 0.136753559 0.465001329 0.167327602 1.090545561 1.214183826 0.517305359 butyrate/isobutyrate (4:0) 1.213061017 0.624080179 0.5605423 0.823723926 0.862737595 1.958399638 0.612316623 0.386932811 0.899646661 0.805169272 4.341800776 0.805053378 1.550309021 0.658923046 1.059141804 1.740701157 1.398947699 0.736445663 1.651353265 2.228800277 1.233818338 0.931948095 1.242163372 0.376185553 6.937899821 0.671587693 0.905267164 0.44747254 0.427376293 0.689307775 1.095797824 0.940858196 0.711909795 1.291129501 1.397933457 3.484925758 5.298943756 1.330444905 1.463961337 1.220648971 tigloylglycine 1.042692755 1.044247803 0.703840771 0.473393364 0.409890744 0.621731027 2.241592412 0.864879663 0.746092624 0.388388539 1.106900345 0.645943259 0.831720761 0.258274965 0.711073774 2.058564885 2.045615153 1.612017407 0.544440348 2.343671049 0.957307245 1.556352303 0.552227929 0.538562652 0.38215777 0.471800716 1.205079904 0.710253657 0.810909427 0.396369399 1.31337756 1.197496178 1.061898516 1.116511451 1.157377449 1.128662215 2.527354787 1.17636937 3.250118156 1.379078515 N-acetylneuraminate 0.961935755 1.118607171 1.220751944 1.102710967 0.915838597 1.361636166 1.380919199 1.660765871 1.098297 2.28855432 1.125138377 0.900847365 0.92758913 0.975811044 0.986327696 1.040865615 1.250140022 1.048228962 1.568447039 1.042322215 0.907251706 0.758561988 0.776264376 0.707634557 1.208638201 0.801629888 1.152114137 0.86755513 0.938022614 1.217276309 0.721397547 0.814777347 0.86970385 1.08406273 0.624302477 1.160304458 1.013672304 0.88386435 0.830923992 0.821109328 isocitrate 1.087349949 1.044026753 1.228982708 1.400543263 1.221088768 1.090438165 0.89752093 1.346105719 0.80010244 0.741452226 0.790809705 0.992376632 0.856480848 0.620263243 1.674717711 1.320009091 1.173504689 0.894617172 0.948149065 1.362029773 0.683512538 0.849870933 0.86237021 0.841637658 0.893066487 0.792034638 1.068860476 1.165846833 1.290202252 0.992296491 0.81415347 1.101880328 0.779292166 1.08359629 0.923169426 1.007623368 1.199005419 0.818816691 1.704477475 1.448622477 acetylphosphate 0.507938348 1.181371394 1.116889658 1.049407047 1.75790794 1.231711582 2.114375309 1.548207838 0.597677601 1.662526132 0.995444525 1.119668174 0.342312517 0.463831769 0.630972291 0.9810065 0.946723555 0.793800601 1 2.71631951 0.677684443 0.454872857 1.348369379 1.155832605 1.602117146 1.320416968 0.92814056 0.369774602 1.366121859 0.332667528 0.706927287 N-acetyl-glucosamine 1-phosphate 1.398244668 0.965971723 0.970514817 1.59003315 1.317766994 1.35580917 1.652228613 2.207824107 2.828860133 1.991363128 0.958642863 1.202921559 0.962966291 0.843028597 0.707274942 1.625529196 1.126347951 1.390945762 1.426741353 1.862219426 1 0.757209042 0.663471523 0.774313044 1.064711638 0.835639827 1.03838166 1.184878984 0.923386453 0.55471683 0.803089304 0.968018612 0.686137072 1.032790159 0.808461139 0.932722262 0.846323588 0.448608116 1.095994089 N-acetylglucosamine 6-phosphate 1.431864659 1.055868953 1.234733002 2.547321446 1.776879069 2.454903967 1.152438565 0.992199965 1.453941347 1.707345637 1.594646588 0.853591491 1.288846763 0.67288205 1.275902401 1.285386653 0.506367934 0.398977345 0.80327498 1.395657709 0.95079102 0.819865765 0.762930684 0.813108199 1.862896822 0.428317307 0.836539357 0.305424241 0.530180591 0.476480861 1.229261887 1.007800035 1.427993476 1.254423101 0.871427325 0.445818959 0.426492616 1.141727009 0.676921803 0.669555021 N-acetylglucosaminylasparagine 1.173797775 1.24352451 1.283764722 1.640726689 1.263842465 1.54528886 1.413344351 1.138985615 1.127540617 1.989048461 1.272734044 0.984246543 1.058579675 0.96042782 0.82409804 1.015753457 0.754173456 0.636136586 0.749592663 0.883811275 1.023315954 0.810330059 0.927757088 0.816165449 1.523450957 0.887579722 1.151131232 0.901121922 0.840905917 1.023548717 1.074931335 0.865325171 1.094434617 1.017056934 0.92481728 0.530943625 0.399455333 0.769491644 0.522615334 0.601792282 acetoacetate 1 1.153012753 0.572513099 0.71683748 5.064396112 2.792044521 0.666446349 0.252831383 0.414724474 2.470079642 22.56496322 34.87507751 2.199237172 9.769031383 0.447287931 0.899544175 0.576293028 0.73701389 1.629722832 0.361175403 3.644854902 0.971316731 0.392303865 1.124149397 0.707945263 0.360037386 0.722202556 0.590879134 8.91762036 28.43404321 17.03293313 10.38885085 2.726591645 creatine 1.010268092 1.200069968 1.225027975 0.99362879 1.134364699 1.040750454 0.97122112 1.290636322 1.005682119 1.928331781 1.187539772 0.863101596 1.20941452 0.892134021 1.088671117 0.888667071 1.2816897 1.025634238 1.222038733 1.062495479 0.807072105 0.854664984 0.912045301 0.856520527 1.402061059 0.646571933 0.994317881 0.684354095 1.058771508 0.932754682 0.98852753 1.014547537 1.040455694 1.078384307 0.821993579 0.801029322 0.728654999 0.97665715 0.827635074 0.892929857 cys-gly, oxidized 0.76167516 0.343588393 0.657976945 1.68767926 1.56889708 1.541776332 0.376633507 1 1.775219362 2.287513775 0.550814826 1.560047389 0.53646727 2.201685691 1.295826391 0.818314685 0.641717284 0.253144781 1.448246422 0.708174587 0.661133949 0.954162138 0.576100946 1.415070425 0.350292044 1.272379412 0.260171879 1.363666247 0.79371608 1.46483254 1.230081426 0.993174493 1.349754969 1.15812701 0.757399628 0.185268819 1.209856141 1.172755891 1.195832033 dihomo-linoleate (20:2n6) 0.868768839 0.550231384 0.467209014 0.969728542 0.386758009 0.579207516 1.219971293 0.832854816 1.022271943 1.103472823 0.6553918 0.859347137 0.914348746 0.623178654 1.19483746 1.86982396 5.168288425 3.191620057 1.877245515 2.49192369 1.735106068 0.805850838 0.83228967 0.914464161 0.947200381 1.438902429 0.977728057 0.87447795 0.713310292 0.625187828 1.720333455 1.047525463 1.556744504 1.087503856 0.858471747 2.402095391 2.861037443 2.850375677 1.867751571 1.281577068 gamma-glutamylhistidine 0.953871096 0.954961775 1.071455495 1.207823233 0.979641297 1.433905687 0.892510474 1.321641599 0.94376609 1.232069687 0.945266835 0.790907275 0.944162601 1.020358703 0.887121704 1.059494993 1.819864214 1.523846178 1.336016765 1.175840707 0.609003209 0.559572831 0.619013194 0.587446895 1.128031286 0.891579714 1.404881384 1.259073509 1.235615695 1.712482579 0.588128878 0.739251862 0.674532535 0.818033089 0.741932693 1.519846018 1.668418791 0.782033699 1.380805117 1.121779118 2-hydroxystearate 0.794592865 1.05160998 1.446891197 0.73189873 0.72186966 1.540272739 1.389768684 1.269791859 1.380668714 0.972415041 1.004934261 0.896687872 0.697302788 1.228659889 0.966676924 0.720786702 1.143386411 1.141616291 0.970600325 0.894956031 1.701833819 1.257348246 1.226669015 1.163543778 0.891106215 1.198935772 0.751335487 1.029861624 0.808544592 0.829224856 1.316197769 1.129071592 0.995065739 1.052637936 0.812913217 0.909702696 0.722521144 1.40897391 0.953153698 0.580787044 N1-methyladenosine 1.070583925 1.509985911 2.022332824 1.990373714 1.185266918 1.838230831 2.102752764 1.674950683 1.148766542 1.952049615 0.98235371 0.871883509 1.121731763 0.740145787 0.835712224 1.159849834 0.920282037 0.862530488 0.603149092 0.964894019 1.040748328 0.971196397 0.908193585 1.125073868 0.936238152 1.006963336 1.819043645 1.526907091 0.993036664 1.459466953 0.819649394 0.551103425 1.124988434 1.046410722 0.948986018 0.779152124 0.413002873 0.623344831 0.909351725 0.791907393 glycerol 1.762849647 0.949061604 0.66702023 0.789341999 0.678646795 0.70294735 0.96800485 0.666939051 0.735339479 1.239738647 1.027712326 0.971910067 1.485223761 0.804016566 1.207314362 1.191360781 0.939711574 1.136224386 0.884768463 1.132309329 1.850404616 0.959528376 1.028522977 1.11682578 1.739205907 1.247863607 0.702497437 1.06161049 0.685415868 0.658252337 0.958246288 1.177107924 1.490002271 1.250153408 1.14693171 1.11961689 1.15212701 0.969645656 0.972287674 0.845523885 choline 0.894664937 0.868444991 0.911380933 0.878820756 0.923063301 1.149310605 1.031143635 0.942216104 0.900216607 1.539522746 1.113472379 1.009095418 1.094074822 0.788257652 1.053355528 1.610218189 0.966288231 0.878011121 0.866889258 1.338101862 1.086304933 0.994610316 0.862239792 0.811644154 1.402878819 0.902510017 1.213304885 0.985712566 1.290220485 0.927481096 1.37283595 1.265446001 1.065894072 1.420430535 1.161811835 0.862953347 0.888503672 1.005389684 1.088788203 0.919137421 anthranilate 0.777588306 1.227436816 1.086193152 0.804637555 1.053097124 1.121550215 1.01219701 1.203116495 0.855789405 1.488476094 1.054537992 1.29478035 1.425703987 0.977965732 0.830155331 0.723022592 0.981153087 0.970088623 0.982480363 0.756093603 0.943440329 1.10454445 0.994058699 0.938284034 0.904061546 0.989623177 0.882238235 1.059089136 1.376156633 1.005941301 1.409743544 1.20315436 1.038326023 1.307312729 1.391658649 0.847507284 0.481667973 0.473723249 0.686172597 1.094341396 cinnamate 1.05659889 0.795928424 1.388357681 2.461123417 1.840959658 0.94340111 0.895278863 0.332953386 12-HHTrE 0.434755166 0.497064917 0.939961592 0.996671544 1.048221934 1.398144854 0.98528294 0.561078031 0.686913889 1.340148201 1.558761466 0.365019342 1.21479587 0.582782665 1.022490995 0.972314658 1.173698336 0.707041937 0.997584487 1.29059299 0.66365586 0.80432222 0.876890797 0.789950509 2.080882857 0.670669524 2.344539181 0.941068565 1.002415513 1.151893595 1.530250725 1.256784317 1.500086096 1.398743176 0.693609067 0.622810718 1.844249973 1.691714187 1.098123074 1.117524864 gamma-glutamylleucine 0.80426078 0.762646526 0.825937372 1.178936989 0.991799952 1.197249781 0.83249934 1.199563981 1.376234972 1.430181816 1.088903075 0.718687869 0.506944668 1.01723504 0.870045458 1.77862598 4.358453348 3.644449996 0.66026016 2.813581139 0.258420149 0.504065094 0.562418151 0.519473659 0.806630465 0.69721991 1.008200048 1.179492148 1.274014177 1.48568632 0.493606361 0.594100143 0.830145732 0.814898387 0.841493728 3.61164041 4.342291205 1.249818785 3.322304142 1.295136178 p-hydroxybenzaldehyde 0.958460898 0.553909511 0.358911558 1.362952803 1.23883934 1.510505488 6.251743334 0.674545054 1.634580463 1.689292975 1 3.418351102 0.338156003 0.807577247 0.411706665 thromboxane B2 0.307499042 0.421260153 0.912354908 0.939705013 0.720544153 1.187271016 0.993080651 0.234462749 0.633699965 0.914457282 1.210189194 0.452495413 1.041183028 0.471210771 0.65636016 1.006919349 1.015769725 0.741600615 1.468894695 1.338218335 0.57168958 0.744476938 0.743733792 0.854210426 1.570819367 0.900926623 2.411564593 1.099398744 1.364203437 1.239578139 1.742540137 1.316222351 1.657153364 1.136473288 0.898922437 0.62158244 1.915881967 1.289655823 1.271575798 1.149430222 3-methoxytyrosine 1.596774709 1.698344437 4.80679547 5.874755018 2.482912023 2.672364435 3.517616935 2.745918736 3.255321313 5.889379849 1.034697162 0.941304009 0.657476093 0.900227375 0.880987234 0.491662121 0.405765454 0.468180625 0.501878965 0.677731524 0.82091847 0.883909101 1.327715006 1.178455693 1.448427995 1.034392962 1.521046447 1.49644503 1.325947935 3.218759234 0.761279847 0.786985682 0.965607038 0.581550197 1.042776858 0.346452345 0.259464822 0.813301854 0.791624242 0.607366474 beta-hydroxyisovalerate 0.34233623 0.434397705 0.57211358 0.398860926 0.494510454 0.544487057 0.564000534 0.674548032 0.511793354 0.531823682 1.064484361 1.012767951 0.564981336 0.831058947 0.702377657 2.254828977 2.554125894 2.27068131 5.088882429 2.088529561 1.042687517 0.911362013 1.058887684 1.033224461 0.788707322 1.442360395 1.11231311 1.673652419 1.713243412 1.733082781 0.987232049 0.825084033 0.325172192 0.970432442 0.971236057 3.038998136 1.417056793 1.471630007 3.002691547 1.078300725 arachidonoyl ethanolamide 1.048531769 0.706456124 0.929487398 0.721326012 0.885730364 1.424567716 1.013795573 1.283721565 0.986204427 0.943351182 1.154761093 1.119470687 0.7881723 0.878048157 1.637418574 1.732563692 1.489418847 1.629301525 0.722826643 0.913048668 palmitoyl ethanolamide 0.635692132 0.848245838 1.007115128 0.909447705 0.951086425 0.828314593 0.902932461 0.866249531 1.30284479 1.11317971 0.796551424 1.02684461 0.902164442 0.99296834 1.024989116 0.934320328 1.330779878 1.290940207 1.045264438 0.875262186 0.955135484 1.00703166 0.97359014 0.815929023 1.071970336 1.241691562 1.096626785 1.147988531 0.957102067 1.009188597 1.374950835 0.957052828 0.890725834 1.175143591 0.812080525 1.514657499 1.255866573 1.385846607 1.274031195 0.787031961 N-palmitoyl-sphingosine (d18:1/16:0) 0.488591574 0.35003182 0.429598635 0.977922089 0.564841397 1.022077911 0.583536725 0.762073013 1.7239943 0.93103782 0.692892235 0.584866582 0.889998183 0.774054652 0.825241088 2.561283627 4.912603435 3.780109758 5.308228334 2.594172198 0.572709222 0.424188352 0.799280653 0.746192897 1.28980575 1.052028509 2.034378789 1.043964918 1.641174069 1.848350907 0.927607912 0.81626248 1.13087619 0.908070156 1.215760237 5.990887303 6.023596061 1.757723521 1.934227365 1.868045407 1-palmitoyl-2-oleoyl-GPE (16:0/18:1) 0.357693817 0.392428327 0.404020801 1.062647324 0.562617113 1.52371813 0.345592766 0.437034954 1.132724033 0.595622683 1.118029297 0.770560584 1.17496607 1.115937406 1.006983239 1.572852529 2.261624329 1.830030481 1.306901145 1.403260358 0.615312517 0.604307937 0.769071537 0.771227381 0.874465391 0.70305818 0.936718132 0.739130853 0.874174696 1.292561056 0.87612484 0.993016761 1.683081875 1.226365808 2.114529407 1.405167867 2.386316686 1.331056735 0.968780607 1.065708058 1-palmitoyl-2-linoleoyl-GPI (16:0/18:2) 0.705671491 0.744318644 0.741782376 0.592180372 0.764513138 0.875072691 0.809555143 0.743633403 1.048009969 0.836253407 1.076040676 1.062282766 0.701838219 1.088125299 1.068786809 1.066356037 1.120589685 1.093120526 1.104797809 0.911586812 1.023113473 1.252552892 1.169418851 1.118151935 0.924911383 0.77885955 1.037567022 0.824028259 0.941149322 1.218948582 0.969690676 1.035713807 1.07373045 1.017731568 1.223466684 1.39675794 0.717596025 0.923058577 0.982268432 0.886795127 1-palmitoyl-2-linoleoyl-GPC (16:0/18:2) 0.749590585 0.817282107 0.793822964 0.901891944 0.850032782 0.982861323 0.780889027 0.789929408 0.99991295 0.797026157 1.040020822 0.960748923 0.770679094 0.989385389 0.985316202 1.307371365 1.362036933 1.283145055 1.309992243 1.249065196 0.763178348 1.00008705 1.023060126 0.980039833 0.817279939 0.996902532 0.995086934 1.045650804 1.079160869 1.086663425 0.959918452 1.005452241 1.030253461 1.010245387 1.093819166 1.291160984 1.468456757 1.075113448 1.220822722 1.014824727 stearoyl sphingomyelin (d18:1/18:0) 0.735405085 0.637314869 0.781095599 0.65893245 0.643453648 0.58023339 0.716086649 0.719772247 0.655281107 0.835233608 0.919461996 0.852490599 0.849483227 0.90691275 1.013375082 1.199951999 1.539787043 1.69638246 2.553180161 1.597235443 0.861005141 0.899733123 1.163066285 1.154215931 1.051655581 1.13783392 1.046394265 1.226089035 1.045269353 1.20284637 0.987696874 1.078141723 0.80834669 0.920101226 0.874327712 1.497111922 1.799511136 1.173395885 2.597380527 1.012303126 1-palmitoyl-2-oleoyl-GPC (16:0/18:1) 0.615644858 0.712700234 0.863016684 0.973153744 0.851476187 1.034690392 0.603911404 0.601158475 0.793444131 0.561874918 1.102031565 0.99704229 0.724588472 0.993427592 0.925889492 1.07865295 1.122091274 1.091250928 1.291750449 1.060513234 0.70527558 1.085527073 0.975821084 0.95235933 0.732188933 1.070826779 0.963931294 1.110893078 1.076760141 1.073363242 0.946560102 0.946798029 1.028488334 1.00295771 1.030300268 1.162139438 1.336654513 1.080718487 1.384063319 1.062197743 N-stearoyl-sphingosine (d18:1/18:0)* 0.341223027 0.358908891 0.490438409 1.035938804 0.45508527 0.675512004 0.449030022 0.503431132 1.278381086 0.85073142 0.817933729 0.572406466 0.78150465 0.685571146 0.788955513 3.45902765 5.885026108 4.924907659 9.021504483 4.168417688 0.59154787 0.614972241 0.761193386 0.740236411 1.13897659 1.703975975 2.531805217 1.646667944 2.313657059 2.236219492 0.999322126 0.748370162 0.999091236 1.000677874 1.025273819 7.228230659 8.466048896 2.618485983 4.622089732 1.992675099 biopterin 0.760142843 0.79839808 1.116902569 1.180811659 0.744320268 1.120528576 1.109187908 0.797617361 0.932016713 1.016837509 0.889169691 0.732649963 1.008648633 0.775456504 0.653386731 1.512264519 1.37761071 1.559472003 1.129920338 1.393011118 0.880402504 0.991351367 0.923856752 0.787572108 0.727433603 1.047765553 1.792386543 1.047152544 1.069122558 1.476050718 0.71705293 0.637945841 0.753706247 0.641733775 0.649963133 1.602903119 1.320115084 0.830552142 1.683455983 1.251018549 taurochenodeoxycholate 0.223824379 0.933823426 0.285204015 109.4408787 2.368300695 37.75824351 1.787196996 1.101517777 60.43323564 1.177935061 0.101364503 0.071338679 10.73369921 0.067216601 0.159439329 0.876111195 1.935809687 1.761564336 0.151135981 0.689654315 6.899639207 0.128276823 0.889413081 0.711364495 15.41232042 2.797600988 1.226533826 0.233030209 0.400066571 0.536497758 1.224860975 1.066176574 0.403585278 4.789456632 0.572510676 0.32987115 2.935451954 1.444186956 1.469383816 0.892497704 taurocholate 0.251247416 1.122811733 0.36730942 84.02060451 3.506343675 66.09347962 2.599277568 2.667271363 66.82795375 2.039728534 0.06022275 0.039362748 6.768329058 0.041323282 0.110264915 0.749744936 1.87992705 1.240791315 0.818082869 0.659948306 5.138590167 0.036139943 0.844696791 0.670931661 7.401288921 1.520581554 1.429441808 0.371293481 0.589115303 0.498775231 1.32296553 0.877188267 0.195310122 5.113741313 0.385732 0.669878129 2.82916348 1.135845712 1.324974682 0.465204377 taurodeoxycholate 1.242539575 1.318159562 0.421008387 47.42191335 7.11421699 17.45557671 2.271027334 2.650777858 46.87682134 1.123610326 0.095592112 0.062456419 1.779491622 0.078784187 0.149790199 0.329434341 2.144621129 0.945748852 0.426354271 0.358317033 3.815744331 0.180526579 1.376335716 1.224803664 10.57900353 1.420623576 0.691337609 0.2834683 0.617493107 0.491538977 1.186395393 1.846378509 0.628082507 6.136232351 0.467539155 0.698672198 1.054251148 0.84519077 0.793968151 0.626783913 2-hydroxyhippurate (salicylurate) 1.106933597 0.501972285 0.926701285 0.986166738 0.67179481 1.013833262 0.392560456 1.211043584 1.966565073 1.558414174 azelate (C9-DC) 1.054510225 0.709015132 0.872503265 1.514661181 0.82286869 4.096860241 1.439429945 3.41711097 2.976505153 2.796842627 1.193156144 0.538331511 1.167595378 0.861074238 0.918237321 1.112401166 2.55136116 1.744923442 1.466130689 1.386691172 0.283979487 0.304992971 0.631519893 0.561607668 2.398779592 0.49075089 1.12128103 0.567083551 0.945489775 1.238967306 0.847905 0.63479492 1.295689022 0.760312813 1.142330408 0.813371975 1.571711928 0.886339208 0.733756975 0.77894331 eicosapentaenoate (EPA; 20:5n3) 9.080576823 5.373256494 4.304819898 34.04234462 3.780594096 3.659740693 7.8851961 5.699851944 15.34689554 9.378586152 0.730100612 0.758143971 0.658896237 0.523230625 0.888042116 1.882304612 3.94807708 3.226187709 1.049974035 3.11867831 0.792736574 0.732852232 0.607725078 0.648124767 0.429932746 0.874514623 0.617200625 0.70717861 0.439940449 0.247594433 1.656723544 0.666751407 0.672895956 0.950025965 0.323841628 1.469301191 2.101840578 1.966522432 1.722813064 0.827285456 methylsuccinate 1.612700997 1.686097036 1.440184309 1.870628665 1.965088315 3.98348736 2.433315037 3.459885267 2.105350415 2.641374701 1.250583932 0.74513942 1.2167551 0.44279635 0.976061974 1.418933999 0.816043653 0.61419633 0.605256692 1.502455587 1.059155399 0.962232321 0.659648284 0.645030513 0.764991729 0.539117512 1.298250881 0.71450737 1.03880921 0.549440713 0.951951936 0.881517189 0.980120558 0.901764802 0.960071593 0.972238382 0.997648342 1.002351658 1.473662645 1.487526153 tricarballylate 1.813406487 1.188614252 1.572487745 3.625316806 2.696367717 4.342700348 1.209250894 4.599303821 2.528919209 8.307514083 0.8714611 0.839516591 0.190785433 0.949285196 1.08395497 0.489871532 1.247220388 0.69946879 0.483182629 1.30745106 0.129038029 0.461442245 0.450712794 0.422546171 0.502937416 0.406305212 0.450177594 0.385470033 0.412997251 0.41192534 0.628064544 0.862676354 1.302307699 0.673605027 1.050714804 1.109986252 9.773020866 3.85699634 1.588814554 1.280564643 ethylmalonate 1.044091835 1.159884675 1.161952674 1.02954038 0.886244748 2.131454133 1.717855724 2.069952265 0.895001045 1.343479579 0.921238759 0.965858409 0.958284736 0.634467823 1.038642149 0.854947866 0.889813358 0.775221338 1.79134746 1.069122113 1.094984579 1.062065567 0.967225666 1.007184047 0.956642374 0.905869241 1.475069483 1.215763293 1.093404695 1.229384962 1.198675701 0.992815953 0.903823127 1.14817831 0.839982099 0.83975891 0.631169102 0.804223341 0.964788145 0.897739757 carnitine 1.428208441 1.527509754 1.348132775 1.372649779 1.589414039 1.209042573 1.04396568 1.132495122 1.256744533 1.129057646 1.135928993 0.905630842 0.949610455 1.056925207 1.030337244 0.384722766 0.315068037 0.390806484 0.82794582 0.481409767 0.882773503 0.893621938 1.100513754 1.041196748 1.173798804 0.737369672 0.791361241 0.544572263 1.069413169 0.969662756 0.75745848 0.743645981 1.040250284 1.105826351 1.077747427 0.656223734 0.311762784 0.881789857 0.525810315 0.844346541 benzoate 1.615971231 1.096080778 1.948354566 2.425108618 4.30302596 2.415138117 1.428693187 0.903157773 12.90901773 8.116340438 2.209534108 0.589727478 3.056081034 1.00640257 3.861821975 0.99359743 0.418027783 0.438300241 0.560408495 0.748002636 1.327379528 0.82878021 0.478934739 3.183285236 0.622906175 0.513222977 0.976592164 0.411941311 1.684241846 0.502576769 1.422099935 1.319625546 0.707741824 0.393240381 0.445326047 2.233503753 0.854977892 0.661260166 3-phenylpropionate (hydrocinnamate) 25.91761111 32.1965898 10.05220321 6.852003384 7.097791683 52.80643679 61.45436777 85.83854053 37.39641039 36.46717426 0.474277629 1.295920302 0.237875407 0.743738969 4.233572543 0.569896002 2.722523666 0.855095611 0.928725623 1.364839044 5.023986639 0.368923117 1 0.693847635 0.527684184 0.365663151 0.438323196 0.402747998 0.399655771 1.635182835 0.431081258 0.424510276 0.330802666 phenylacetate 1.821080311 2.659672766 1.190022278 0.661754501 1.39189584 0.831817684 1.829936818 0.91936014 0.796902962 0.714966583 0.601621562 0.86202111 1.708776159 0.805869033 0.640334539 0.849622001 2.253040429 1.443519229 3.865563712 1.050600782 1.301888171 0.51612432 0.985208721 0.806855119 1.435867938 1.798473394 1.024159088 1.471695701 0.692396187 1.014791279 0.701471824 0.473047003 0.612431978 2.469212227 1.120302399 0.549523392 1.015101713 0.911873197 hippurate 13.67688263 13.50587763 10.35897199 6.567601268 4.802111687 23.01910411 28.4136909 34.40576899 15.28718679 19.50905435 0.98614842 0.83373217 1.290671911 1.570170246 1.950127494 0.202881518 0.388436601 0.512440305 0.995570812 0.565196752 0.417822573 0.503078893 1.006972911 1.19617922 1.371696562 0.300372925 0.799119953 1.023545613 0.934229683 1.004429188 0.547488419 0.372562196 1.466853878 0.825758112 0.827848692 0.65825158 0.38575757 0.758649307 0.350080147 1.02389856 xanthurenate 0.471792414 0.457623152 0.828453305 1.830124866 0.907373254 1.800666396 0.810539747 1.175658734 1.823277039 1.673950956 2.024828247 1.158341366 1.315468065 1.082814685 1.217431034 0.952020638 1.500498682 1.135340692 0.561917391 0.931961911 0.499038853 0.78070239 0.559142601 0.602257721 1.797094828 0.305700579 1.007260145 0.87104467 1.124653848 0.84608827 0.874944978 1.431964697 1.632067219 2.233394438 1.897316031 1.355591092 0.856468661 0.446200821 0.992739855 0.661252668 suberate (C8-DC) 0.578656915 0.410139958 0.499122091 0.520392363 0.38273124 1.465896365 1.014290784 1.448678068 1.200872839 1.09476573 0.904410511 0.729567313 1.250831824 0.741940984 0.832329845 1.228099524 1.526858009 1.216830727 1.050339181 1.621751623 0.651050956 0.663773716 0.644230459 0.599717502 1.102151913 0.55159383 0.793161531 0.570482688 0.860152171 0.79288848 1.298954344 1.385070025 1.781892734 0.986936215 1.592617043 1.240326877 1.624012065 1.013063785 1.586880683 0.894216634 3-methyl-2-oxovalerate 3.722139586 5.339134691 2.848209379 0.308720985 0.453958629 12.97909522 4.112081162 1.719339965 1.916930365 0.151031107 1.808722564 0.644759198 1.511796937 0.153385441 0.4742997 13.26248381 18.23380704 0.647994631 0.968702037 0.970061582 1.064492342 0.29801358 1.255502921 6.137273014 0.310369493 6.221522185 0.251231644 0.393124901 0.216354019 0.452071688 2.141056371 0.685826622 0.142602242 1.250135797 1.029938418 0.76278541 1.251863256 0.377017211 methionine sulfoxide 1.666305648 0.797226534 0.96905133 3.363342748 3.050499054 4.035720468 0.965884424 4.44650314 4.773927664 6.24932714 1.687930757 0.932731358 1.041021053 1.444577076 1.291488009 0.939581227 1.98879413 1.491863293 0.819020185 1.37950716 0.496240897 0.530903717 0.755489181 0.71123001 1.24467274 0.560668615 0.740947422 0.733240094 0.935891533 1.380838859 0.70982485 0.907066885 0.955639107 0.853514792 1.03094867 1.523353609 1.580886935 1.085374282 0.743191238 0.900648599 3-methylhistidine 0.894845067 0.805329449 0.946608727 0.887555942 0.819241275 0.881251428 0.693085584 0.855127423 0.542299597 0.70866789 1.100795776 0.969860214 0.965722021 1.021806832 1.08215004 0.636915923 0.933054861 0.968655525 2.390057906 0.768876753 0.715553978 1.006043336 1.051156896 1.161560582 0.991391726 1.02639137 1.385140597 1.233425681 0.993956664 1.6384251 0.97253475 1.169643406 1.960726049 1.389516546 1.330374492 2.476069936 2.156592009 1.411259299 1.608965438 1.338690653 anserine 0.956251117 1.857692875 1.806015712 0.876824119 0.932423247 1.560562867 1.477160105 2.736941194 1.444238881 11.55183799 1.050875561 0.533791582 0.73385808 0.722031283 0.764630302 0.980321292 2.104323345 1.100505337 2.475911991 0.948766258 0.877389986 0.677177593 1.155841113 1.019678708 2.911903372 0.443836693 1.358159579 0.555956843 0.787066622 0.800648959 1.572128612 1.032987227 1.273279898 2.075895446 0.856045808 0.754267111 0.745758975 1.151455125 0.758570376 0.891648805 5-hydroxylysine 2.711820783 2.252794799 2.815819688 3.8523439 2.790308904 3.077834697 2.007677468 2.915369647 2.551366187 3.737778906 1.507909501 2.01579241 1.366229435 1.401064007 1.28304811 1.094856112 0.810836765 0.753444363 0.593733045 0.725500019 0.973384592 0.988789923 0.840546234 0.803915657 0.949588109 0.903550108 0.788546782 1.182343132 1.089940096 1.43226325 0.784765413 0.745035197 0.783110943 0.894697463 1.011210077 0.681816232 0.513587452 0.609922185 0.671301397 0.711021534 2-ketogulonate 1.041818356 1.272495299 0.852507706 1.551496594 0.986141233 1.013858767 0.768064702 0.61682855 1.190558462 1.10938406 0.908660928 1.170552989 0.606803042 0.667519064 1.653464207 1.58157312 0.951732156 0.733660264 0.343342255 0.808923268 0.968646565 1.445453668 0.729879718 0.966040877 0.485329249 0.540962515 0.686083587 0.950734413 0.871395673 1.740148127 1.625124244 0.706095386 1.599256711 1.525620206 1.705888753 1.282193146 2.562850881 1.36467482 2.928182711 1.275908965 4-guanidinobutanoate 4.303159044 4.649842353 3.979405173 9.373214735 6.548030282 17.6965428 10.00108867 13.72037217 21.57659726 12.72538787 0.775421789 0.50304808 0.531162355 0.532682748 0.812451904 1.135728001 0.928383341 0.705771384 5.141973693 1.219787264 0.59704483 0.644068052 0.516412493 0.472863153 0.903371397 0.386537662 2.127835635 0.50302483 0.950769816 0.696104694 0.906076648 0.713851121 1.929471095 1.015035705 1.51784034 4.543380205 1.753905609 1.157976797 0.975106587 0.984964295 pimelate (C7-DC) 0.80042663 0.695595853 1.158471438 0.634387669 1.356444943 2.671363538 2.160023324 2.676467603 2.371279209 2.660336101 0.665871963 0.688989724 1.046746666 0.508996699 1.088162297 0.872979641 1.657075478 0.910737912 2.414765252 1.150056927 0.953253334 1.73053637 0.753918006 0.912645939 0.855301788 0.947112217 0.719455419 1.827458246 4.659985496 2.343729068 3.381636807 0.708726918 0.945868494 0.640222468 1.622587056 0.795403758 creatine phosphate 1.362783716 2.167013453 1.342778634 0.931713496 0.944217665 3.568870217 0.269341953 0.549655331 0.684512937 13.09247685 0.844970536 4.632590257 0.53520148 0.399482203 0.563803428 3.674522308 0.602201433 0.481662669 1.226528376 1.394486888 1.638522689 1.07073254 0.620677743 0.661434426 1.204446545 2.188809384 0.874386506 2.010546546 2.946294414 0.474836799 0.376828571 1 0.496934513 0.492919996 2.116365412 1.93656586 0.659254435 2.276739624 2.448041583 2'-deoxycytidine 0.831556626 0.822705987 1.275461748 1.2242003 0.91049376 1.027595597 0.997554566 0.988443448 0.9790155 1.100644839 1.002445434 1.262892601 1.161310848 1.1698929 0.989573913 0.715660936 0.633247735 0.9047862 0.518677649 0.702523883 1.347170931 1.197619354 1.459391596 1.498485045 1.278480141 1.113975268 1.248281107 1.615488813 1.06806912 1.587072646 0.874342611 0.832263204 1.231187455 0.986578964 1.036953738 0.689496533 0.254091142 0.643940882 0.593470272 0.836079251 flavin mononucleotide (FMN) 0.510341759 0.315269311 0.925521837 1.208527358 1.214281251 1.506629974 0.822711628 0.938224392 0.806874677 0.808704324 1.009795614 1.155397586 1.107941721 0.878925807 1.22067502 1.400925322 0.922262464 1.013809842 0.784773931 1.839135966 0.838673555 0.937859462 0.684758184 0.619935662 1.054631983 0.718866618 1.379959358 0.755619543 1.572822232 0.990204386 1.183202234 1.010045566 0.438570575 1.070009023 0.960280146 1.179402965 0.134274152 1.438483092 1.282088198 1.134891533 glucuronate 0.869378915 1.291636529 1.252367276 2.46975437 0.889499035 2.513374787 1.975019435 1.835502623 1.809052206 1.411599989 0.654015421 0.817261181 0.875520622 0.671193334 0.669002778 1.013941055 1.365718508 1.195360754 1.908896347 0.986058945 0.862872248 0.802155542 0.695192596 0.838844442 0.642893584 1.072469609 1.175373737 1.242868526 0.833123078 1.092201534 0.643341971 0.696176403 0.702050401 0.881262318 0.575574765 1.136275947 2.545784833 1.370828435 1.353017152 0.860018677 glycerol 3-phosphate 0.977582123 1.023428674 1.182564913 1.320595083 1.403628498 1.03086364 0.747893544 0.716276431 1.028019538 2.011145712 1.338751784 0.99851469 1.319197628 0.772265483 1.225448046 1.212216986 1.197872776 0.816897203 0.99484872 1.074002689 1.00148531 0.939418292 0.987143948 0.86397971 2.043018804 0.659385434 1.217764654 0.79626299 0.989230928 0.855951554 1.345968825 1.321014834 1.256954388 1.611086783 0.935041608 0.771666917 0.499698605 0.988163098 0.716236329 0.90165981 imidazole lactate 0.556295052 0.611190631 0.583346206 0.569140711 0.606607657 0.567340194 0.454684736 0.557315265 0.479341607 0.49066683 1.272744159 1.26395911 1.127717207 1.241547864 1.466354129 1.221724552 0.863678508 0.740202715 1.396679293 0.74678136 0.797977143 1.013731486 0.92998052 0.905051634 0.703573953 1.234660988 1.463100311 2.066401803 1.133767716 1.462062938 1.070855056 1.189741312 0.836760673 1.018444616 0.761849553 0.986268514 1.079172144 1.183042949 1.446479815 1.311004613 kynurenine 0.836385394 1.174740459 1.879037933 2.066793833 1.169456286 1.538457248 1.345824876 1.560232818 1.834787074 2.494850657 1.219592323 0.811744857 0.686913242 0.765808634 0.832976044 0.583102824 1.233037917 0.969491675 1.401459951 0.760747764 0.524418477 1.099849702 0.763327462 0.721497778 0.937493025 0.65928268 1.191865203 0.843580483 0.99146833 1.065530279 0.796071767 1.034341594 1.00853167 0.866605123 1.078894877 1.095829504 1.056087821 0.720950583 0.621484817 0.734589387 glycerophosphorylcholine (GPC) 0.797122649 1.108389475 0.957451142 0.892245795 0.932638364 0.787475498 0.725422974 0.616401775 0.964243396 1.053308202 1.29315798 1.139492165 0.965460414 1.181925606 1.205936168 1.135825048 0.959452702 1.021557278 0.943945274 1.209812008 0.897014962 1.04487539 1.13778137 1.129057221 1.080063738 0.767049923 0.954579406 0.783871416 0.94482978 0.970546458 1.244930295 1.142682289 0.978442722 1.058960182 1.066331791 0.923737989 0.90752856 1.107326342 1.27739944 1.274445738 allo-threonine 0.825667207 0.842908022 0.735296804 0.705031471 1.268948786 1.317166552 0.30398696 1.430491396 1.347824738 1.331679782 1.847599881 2.247059188 0.854297367 0.94207803 1.333750885 0.100196944 0.553882285 0.981049922 1.008856465 0.913844171 1 1.141546642 1.091197466 0.769955907 1.944538542 2.223374175 1.861973544 0.168555414 0.600569984 N-acetylglutamate 0.528386343 0.565714155 0.488521306 1.173418586 0.98019208 0.797721576 0.717499833 0.878102282 1.764037077 1.477835948 0.98379984 0.653064218 0.711125174 0.901064882 1.171797943 2.007705209 7.391639793 2.369872327 2.516707691 5.172216263 0.492740913 0.662984767 0.551096051 0.564203402 1.075070051 0.62596499 1.9417409 0.850231979 1.20169903 1.01620016 0.690963509 0.92803219 1.868108056 0.78706346 1.258372842 4.878022866 16.4204158 4.024333121 3.909314988 1.91640769 N-alpha-acetylornithine 1.507605116 1.546876008 1.940974423 2.084511018 2.042755581 1.992643704 1.977551495 2.579227406 2.288163372 3.157009348 1.725378735 0.860922688 1.00208181 0.596015725 0.990819839 0.964667634 1.512939221 1.14811025 2.025271298 0.738540008 0.751035734 0.29155559 0.481836178 0.371306795 1.538952719 0.509214838 1.179547891 0.482130625 0.670043473 0.99791819 0.696733469 0.750259466 1.410929319 0.900067041 0.847582558 1.98719036 2.093694829 0.809504052 0.633529672 0.895114986 tartarate 0.037489189 0.039290057 0.040791305 0.061414626 0.059812411 0.022241424 0.041944223 0.069308981 0.09379453 1.894868643 1.008216032 1.864914974 3.192734321 2.580542542 1.671315013 6.569704644 3.660936785 3.427271721 12.3404505 0.110888067 0.067576256 0.599615116 0.436766847 4.164628786 0.313509172 0.588671918 0.35102659 1.140195099 1.80571782 0.672996269 0.666910923 2.596197066 1.10103647 5.57186881 2.63253058 1 0.586757216 1.230784805 1.261512863 xanthosine 0.745170156 0.730175942 0.855055353 0.85638716 1.085655291 0.566481525 0.255500417 0.354626105 0.688243269 1.664714867 1.737143711 1.059877056 3.04582713 0.797244875 1.747171368 1.131668594 0.712106082 0.408228725 0.241990918 1.257355726 1.445233945 1.187785424 1.009897512 0.84726177 1.465443334 0.352483074 0.990102488 0.423618629 1.229533675 0.585893697 1.742941333 1.481251105 1.180934961 2.250229214 1.479409219 0.654118185 0.521650624 1.640199573 1.032038663 0.777788348 ribitol 0.773107669 0.857466162 0.85701324 1.039337053 0.997792192 1.191878688 1.000273671 1.065506184 0.966666003 1.232862929 0.917242961 0.913652046 1.103129659 0.724499002 0.928136685 1.126054573 1.252719189 1.033485955 1.542720318 1.302963981 1.064485266 0.901862806 0.819196499 0.806054396 1.116397164 0.923226838 1.194487044 1.079124814 1.098500121 0.948742405 1.028428576 0.941976612 0.999726329 1.150779372 0.967533488 0.994121609 1.190519923 0.934296124 1.275757703 0.980410034 2-isopropylmalate 4.550279993 1.033951868 3.762303573 5.332720222 2.282976365 5.98365621 2.517887516 16.57737479 22.59761756 7.365943431 0.989462238 0.989959464 0.799141779 0.762569367 0.765702297 1.382701576 1.70148228 1.937341395 1.18878128 3.631646234 0.625146919 0.894653705 0.668177211 0.49573871 0.738888457 0.885070981 0.945146434 1.010040536 0.792669752 0.567996208 0.619198394 0.773457815 0.773093991 0.767816519 4.701974453 1.478825939 1.073958376 0.933109918 quinate 6.896246743 2.356668878 2.988305782 11.12676088 12.12341922 29.61379886 10.27136297 29.71304897 35.56927198 32.86466125 0.383570338 0.45018771 1.259329193 0.841990016 0.933214434 0.449937007 7.827757027 0.761146002 0.294110367 0.571686982 0.935248625 1 2.770704477 1.372996354 0.777847947 0.600416359 0.903183937 0.541256629 2.256415952 0.769577897 2.088050953 5.520892505 0.998787736 2.475876908 0.560272029 0.945813089 0.648170656 gentisate 0.961139155 1.006870315 1.116063768 0.699781187 0.474590475 3.040064646 3.137559276 5.365742865 0.883503927 1 0.306596966 5-aminovalerate 1.075625779 1.258652866 1.629637502 2.6610501 1.251741457 1.552382899 1.486117832 1.4906281 1.208296421 1.311337828 0.426714683 0.221746448 1 0.682411774 0.120150883 0.410367663 0.486736937 0.661507081 0.971372899 1.136325351 1.067931625 0.958675089 0.368510872 0.252388436 0.492310586 itaconate 0.593823118 0.789765186 1.405457485 0.937804335 0.656828688 1.405320847 0.734890196 1.040234224 2.138691668 1.198504917 1.024816253 0.724602595 1.038830467 0.706588491 0.606518828 1.851613999 1.438268264 0.677374694 2.108599647 1.468104525 0.796161507 1.463986682 0.586707401 0.542668902 1.460680495 0.446146004 0.877540879 0.740774998 0.787563787 0.709415858 0.643420589 1.266297509 0.975183747 0.960584439 2.233827159 1.948256019 1.422582855 1.153024121 2.158303393 1.62127054 cis-4-hydroxyproline 1.415963468 1.279089648 0.239596292 1.134694263 1.040708262 1.713006091 3.046329484 2.384338717 1.507986123 0.573903399 0.874671414 0.046789252 0.232819709 0.924367317 0.541794823 1.197937762 0.511539819 1.202777698 0.038728134 0.862941087 0.222248105 0.245443208 0.959291738 1.233477703 0.834209758 1.244179105 1.189989491 1.270090699 1.481872364 1.225523814 1.136680563 0.817034443 1.549165774 0.722844646 0.113737301 0.382970099 indolelactate 0.861182081 0.937103008 0.884113359 0.841192793 0.967495079 1.793791098 1.788099239 2.074196511 1.832867283 2.019210231 0.897276594 0.846273084 0.651995613 0.827088942 0.762249599 1.248763201 3.298280665 1.690929031 9.742966753 1.902933971 0.647489215 1.032504921 0.630227995 0.651004459 0.676840871 1.201405751 2.041742767 1.319580119 1.572323536 1.636690701 0.643867239 0.815927172 0.927026444 0.743114628 0.686342447 2.871639142 6.068497262 1.95828086 1.267334497 0.788045508 3-indoxyl sulfate 4.154239901 4.351703148 3.313412334 2.266124715 3.342746179 3.376129656 4.642015104 4.682325484 3.418475926 2.90309679 0.584524785 0.894918154 0.798017883 0.935041533 0.720152885 0.777308648 1.532784726 1.066590858 2.15182946 1.064958467 0.599425158 0.480288889 0.477079293 0.560216088 0.538791726 0.919180713 1.173810062 1.143241695 1.07799738 1.433290748 0.500585844 0.759573124 0.510937177 0.606409692 0.317040957 1.427213264 1.296494785 0.788993405 0.813740693 0.750475169 glycylvaline 0.366551404 1.020298307 0.414595376 2.057919591 0.767150083 0.672453035 0.465916598 0.417351363 0.755364884 0.227753406 0.979701693 1.12061313 0.533727291 1.131110652 0.647424649 1.403243704 2.211150392 2.853150805 0.408376342 0.969774463 0.783987923 0.361454893 0.809387903 0.682746697 5.146397605 0.895858278 0.831562242 1.275289017 1.491422378 2.130406173 2.590366949 1.085469137 0.614399257 11.34641309 1.747638832 3.875082576 2.809439513 1.062474195 2.628901734 1.558502787 gamma-glutamylphenylalanine 0.855763925 0.840296116 1.042754917 1.101753446 1.076898198 1.418631387 1.185141885 1.346076825 1.549514565 1.796277007 0.691035687 0.762591861 0.936451098 1.079949548 0.748304686 0.957245083 2.19185399 1.694002037 1.50096093 1.236506276 0.367751063 0.57001105 0.456189789 0.581646663 0.908489034 0.713533991 1.42815425 1.211370817 1.246161681 1.286718848 0.424665655 0.732612131 0.836604386 0.768633332 0.618795192 1.909057381 1.692111871 0.717232924 1.209447515 0.784827241 4-methyl-2-oxopentanoate 4.06212715 4.575395538 2.613482821 0.427072458 0.511267006 7.066040767 3.563003357 2.25750759 2.798459611 0.487500201 1.743205583 1 1.497731982 0.151277768 0.714621649 9.487542766 12.66261465 0.185107699 0.868074273 1.229319595 1.2765432 0.094324333 1.575342532 0.042872287 4.027086914 0.296895128 4.698441139 0.65319964 0.154567358 0.54265946 0.648205021 3.214285141 1.186291501 0.084159211 0.617267135 0.253641358 1.062532727 0.983837962 0.164235347 1,5-anhydroglucitol (1,5-AG) 1.200464513 0.871594814 0.906693429 0.912940395 1.087059605 0.062424487 0.062412212 0.054613232 0.047259199 0.065592937 1.970600071 1.933178449 1.411810592 2.185454487 1.89790638 0.031164227 0.021450522 0.048519864 0.051591278 0.034160267 1.781119936 2.062740305 2.042943886 2.082164544 2.045427309 0.061443416 0.412256921 0.072645754 0.058093209 1.386947805 2.840955239 2.458206716 2.62272049 2.45970618 2.364591367 0.032008989 0.088238418 1.174778185 0.042102815 1.211857914 2-arachidonoylglycerol (20:4) 0.530917479 0.814678877 0.895866236 0.661199647 1.045687384 0.197720154 0.87093625 0.745217732 0.72892504 0.975130323 0.507370818 0.876980283 1.072340871 1.207247939 0.901023547 1.136863322 2.591598097 2.278212082 1.705828807 1.529802716 1.14158057 0.928619352 1.253705197 1.028730357 0.436592311 1.564367911 0.936518811 1.1630579 1.024869677 0.679072608 0.876814435 0.793128046 0.664633457 1.04317045 0.379046788 2.310893582 5.974943744 1.962598425 2.625604497 1.112585421 1-stearoyl-2-arachidonoyl-GPI (18:0/20:4) 0.566594365 0.698399464 0.754022122 0.739894113 0.818187874 0.58549215 0.641976358 0.566400684 0.733656192 0.615007769 1.18811607 0.978120657 0.865689167 1.07171279 1.076163365 1.244420964 1.441257957 1.364983347 1.457048952 1.298749804 0.963034007 0.957754699 1.063061314 0.998392256 0.858542003 1.208252789 1.148464914 1.204654842 1.201701378 1.091428054 0.992969299 1.001607744 0.801810964 0.899547313 0.772602192 1.646266681 1.717929828 1.241659321 1.76852244 1.267144989 sphingosine 1-phosphate 0.826420409 0.871493738 0.992420481 0.682302124 0.857626409 0.669110271 1.215887354 1.089614688 0.891901669 0.865725643 1.235880262 1.100054253 0.9138158 1.241138005 1.24971014 1.287401928 1.131157774 1.203960314 0.559194727 1.049178441 0.987384037 0.986933947 1.095804955 1.143892388 0.805864037 1.199612283 1.007579519 1.329350504 1.067558584 1.115604822 0.9778804 0.982705077 0.779771084 1.045551167 0.857119463 0.785662767 0.757962496 1.012654435 1.431270995 0.974036592 1-stearoyl-GPI (18:0) 0.657475549 1.215485007 1.244144709 0.98624486 0.937484168 0.924412171 0.804045539 0.624917343 0.956929935 0.807238545 0.727169803 0.881868862 0.673071417 1.396232708 0.889531559 0.997238027 1.210112066 1.477855844 0.854192737 0.928739388 0.879583559 0.983920043 1.041309756 1.433680785 0.865780835 1.519616854 1.172254568 1.310583624 1.189320977 1.002761973 3.070484807 1.057379789 1.022601393 1.553146578 0.968804276 1.253880671 0.851767929 1.437131095 1.930028965 1.121092813 1,2-dipalmitoyl-GPC (16:0/16:0) 0.964381874 0.926226727 0.995505433 1.10951087 0.980881075 0.969156628 0.833497294 0.848338679 1.092348182 1.384263912 1.079191647 0.888370806 1.02399243 1.088648423 1.119680882 0.893178527 1.039904511 1.03159662 1.362040321 1.004494567 0.976000349 0.767543752 0.957000731 0.986634715 1.042034204 0.924843643 0.987574982 0.88267832 0.975368653 1.09914065 1.041956395 1.046163301 1.154971917 1.027324474 1.052336061 1.152217926 0.989587524 0.966476298 1.194187187 0.974432105 docosahexaenoate (DHA; 22:6n3) 1.604553352 1.310601035 0.948643709 3.497555418 1.040490332 1.531809578 1.563138098 1.074920799 1.524186808 1.764490158 1.051503095 0.516004594 0.47582475 0.512395228 0.751962318 1.335078382 1.843794052 1.495098009 0.959509668 1.633836211 0.59015956 0.587148898 0.692511042 0.51793088 0.766417833 0.943255494 0.682777056 0.714565107 0.758164427 0.517627812 3.161632221 0.537535165 0.805573333 1.524144743 0.570692061 1.328298743 1.141072428 1.243212744 1.732685464 0.791672457 1-myristoyl-2-palmitoyl-GPC (14:0/16:0) 0.808199619 0.830847219 0.9950031 1.171940017 0.898355236 1.331452176 0.892119524 0.848348937 1.290325667 1.501859103 1.187337708 0.966153845 1.120384189 1.101677199 1.080884022 0.986567676 1.339148073 1.087798814 2.168433526 0.955004902 0.760630253 0.656620135 0.78985399 0.835246201 0.866641637 0.998931326 1.378335828 0.916559918 1.251426146 1.33762921 1.001068674 0.954888724 1.161258439 0.970516853 1.036929585 1.361860249 1.64091792 1.037667049 0.835814853 0.936653965 alpha-hydroxyisocaproate 0.520835937 0.624750031 0.594467805 0.40166139 0.471992007 0.634555508 0.872973865 0.895187819 0.677152612 0.993539299 0.821589646 0.869566845 0.660021107 1.075591373 0.779786266 1.069649681 4.132124029 2.734178068 5.329035247 2.674930561 0.85606419 1.105376586 0.706573722 1.107285078 0.691887035 1.17900003 1.338006753 1.731976142 1.28700442 1.225151105 0.709552056 1.025317244 0.806243082 0.793294536 1.006460701 3.422196638 5.745705307 1.745300957 2.502857357 1.006878155 maleate 2.188921318 2.582994736 2.437537667 5.330345904 2.870289816 4.058582947 2.046210893 0.97448767 29.09469031 7.708575839 0.638652728 0.407629854 5.181366372 1.02551233 5.933209316 0.786920537 0.521404513 0.911567562 1.381600211 1.890134495 0.797363986 0.507984469 0.237877337 0.258797041 1.540834249 0.819781253 0.689970826 0.424811423 1.110945998 1.328342876 1.641745666 0.462355286 0.707629003 0.580656959 0.579065533 0.606302339 0.451791243 1.34917631 1.191055876 0.681710538 isovalerate (i5:0) 0.732821626 0.482293875 0.416705879 1.777284442 1.285335624 0.836638707 1.002294479 0.859216553 0.997705521 1.17784047 0.606653342 1.920968905 0.866451825 0.513645998 1.225083426 4.597846686 2.348998243 0.908913716 1.801094788 1.551389423 0.765680379 0.716227125 3.619293482 1.236372349 0.659199717 0.5493 0.940382399 1.05332775 0.357301969 0.634858381 1.17248093 0.855128366 0.99473975 6.385120638 8.87465626 2.326202389 2.456158831 1.218241 4-acetylphenol sulfate 3.303430002 3.117659511 7.542588524 5.265575159 2.690993233 7.968305875 4.486288021 11.28207187 6.806032249 12.38806689 0.588567633 0.752060264 0.410213362 0.787185121 1.262494799 0.383030285 0.661284554 0.822587356 2.267684694 0.804163595 0.764469295 1.380117813 0.944195858 1.199267137 1.148682088 0.514507617 1.21869822 0.424242867 0.30832792 0.433513143 1.038329306 0.961670694 0.819901166 1.377198041 0.345598809 0.244881275 0.839857807 1.06466565 1-methylguanidine 1 0.441231364 0.903309123 2.949434974 2.309707382 3.435934589 0.883487068 3.35093719 3.308250074 5.954268767 0.032143588 0.053215081 0.055098688 2-hydroxyoctanoate 1.386947989 1.124390749 1.449920919 1.201533582 1.364980996 2.082886315 1.450020288 2.426067587 1.633159163 2.762919106 0.956693689 1.21267938 1.181103484 1.407215786 1.217833277 0.479845648 0.937972723 0.569532059 0.637268037 0.555143546 0.925253596 0.995864627 0.862969618 0.961529608 1.318248139 0.574861506 1.004135373 0.699667945 0.605837881 1.191815374 0.808486043 0.99040269 1.46182854 1.04167336 1.284976359 0.646582149 0.58365559 0.576782624 0.54454096 0.546409082 5-methylcytidine 1.125946854 1.263368994 1.324864299 1.168240633 0.879620456 1.197610001 1.252323967 1.134074183 0.897247494 1.103825546 1.045238911 1.150282307 1.041586406 0.969379446 0.834027684 0.466965798 0.403404977 0.575813106 0.413705474 0.448551169 1.292211217 1.315031217 1.190534878 1.353461355 0.943670918 1.058178602 0.7709822 1.079757486 0.717426702 0.882917365 1.030620554 0.775020167 1.068546467 1.165816047 0.941253277 0.244592864 0.176989214 0.676287918 0.374036304 0.579353793 mevalonolactone 0.744902797 0.771796937 1.066512944 0.644760778 0.64025006 0.648823682 0.964100096 0.718677529 1.167679237 0.567094595 0.737286278 1.13262835 1.148060869 0.847487035 0.707176419 1.547585534 4.055365811 2.72226697 1.295051665 2.885863559 1.073251338 1.018559286 0.739807883 0.658505442 0.74641804 1.086357255 1.168463321 1.427657014 0.935976093 0.981440714 0.882298545 0.803978551 0.886666369 0.85450796 1.396798082 2.071113836 4.475750512 1.45028307 1.87068772 1.318938117 3-hydroxyoctanoate 0.918200497 0.61852897 0.519525099 0.752849899 0.706495822 1.537851985 0.605381035 0.676691266 0.560409211 0.639484492 1.306597564 0.729672861 0.940989183 0.629847244 1.061200805 1.418920525 1.137260348 0.974711795 1.858197279 1.411972218 1.076459656 1.001816899 1.116527027 0.750739484 1.559300455 0.918463235 1.161501853 0.784424561 0.998183101 0.966372725 1.414253789 0.985934982 0.726648615 1.1443678 1.250629759 1.512686141 1.981107851 1.0285872 1.419463518 1.046542499 phenyllactate (PLA) 0.806750569 0.960051711 0.797309121 0.786213976 0.951796545 1.531952345 1.526260555 1.773921455 1.496230742 2.506859213 0.956016575 0.899290967 1.039948289 0.879982073 0.656705048 1.166145388 3.656927661 1.622444112 17.00409504 1.706760406 0.572600274 0.727359863 0.51696924 0.693036063 0.734621037 1.973512765 3.034812661 1.966696817 2.289772454 2.246264578 0.465948734 0.653560364 0.91602761 0.606274725 0.717740916 5.289351634 8.268336534 2.497581951 1.27244193 0.902416422 palmitoylcarnitine (C16) 0.664923055 0.886774341 0.982164018 1.051634547 0.892732397 0.905359718 0.924738059 0.767969094 0.840320955 0.836765283 0.783747552 0.902528073 0.923301099 0.62725296 0.676865315 1.807418399 2.418764674 1.988511611 11.5980945 1.75398539 1.134391776 1.23529969 0.922182583 0.914539924 1.017835982 2.526765078 3.362881284 2.139170523 3.005453694 2.924275425 0.94154771 0.749524155 0.903899429 1.077684554 0.917052565 3.283622164 3.389677924 1.316862007 2.463538678 1.176742234 hexanoylcarnitine (C6) 1.679226218 1.499537748 1.014516706 0.511489927 0.586022044 1.033712743 1.543005085 1.042948476 1.049507777 1.1974906 0.450181497 0.632740694 1.027403099 0.489564326 0.836953403 1.18523891 1.083292413 0.703479022 1.100417595 1.459860788 1.28756993 0.985289918 0.711798253 0.721535662 1.07574616 0.844377385 0.934687612 0.629125588 0.894392741 0.607650628 1.065942106 0.800944288 0.865527647 0.985483294 0.806337299 1.83644425 1.334283727 0.790022747 1.666803849 1.325883288 N-acetylaspartate (NAA) 1.227295783 0.781791377 1.79297795 1.418097985 1.192454583 2.236502314 3.308829987 1.134094791 0.835846619 1.604175037 1.34238439 0.92571728 0.782758414 1.196077955 0.915308273 1.068217335 1.004186902 0.995813098 1.149941155 0.535987581 1.120650793 0.775340442 1.161938906 0.889261479 6.836329563 0.90105008 1.728590409 0.948867847 0.80784995 3.366098343 1.184334748 0.898484817 0.456961467 0.900258868 0.758429361 0.557223035 0.504636161 1.18557845 0.814960229 0.721390063 indoleacrylate 2.278013058 1.306711905 6.130420136 4.393016988 2.710099941 5.972760961 4.539823861 5.728523991 4.326964724 9.195702392 0.58775687 1.451681987 1.103149013 1.523878275 0.72685564 0.507531643 0.971613969 1.050098657 6.385284823 1.116239152 0.763190401 0.476971943 0.427867879 0.453967948 0.431910422 0.621131912 0.974838378 1.013603478 0.632946725 0.926271717 0.750108282 0.592336814 1.077658533 0.986396522 0.890273834 2.556346953 1.207204389 0.829282769 0.805428558 0.657923865 acetylcarnitine (C2) 1.476513405 1.34555673 1.02756856 0.955963762 1.063347152 1.308753682 1.471817591 1.378132189 1.101121332 1.670228515 0.894682836 0.715193849 0.928629577 0.60554835 0.892648355 0.988996224 0.994094556 1.03159565 1.202147902 1.179494005 0.933624284 1.005905444 0.834253474 0.787081933 1.094462693 0.74512479 0.899333383 0.72179926 1.108051538 0.765487328 1.067137077 0.902670186 0.966408848 1.203971149 0.911005465 1.496865823 0.98946602 0.934037565 1.21632557 1.014273964 cysteine s-sulfate 0.55717429 0.725403624 0.368130485 0.483612034 0.613212727 0.902094527 0.458825334 0.797233942 0.996568502 0.393281911 0.75706187 0.481999996 4.330677344 0.981168917 0.38590319 1.28757753 2.728313414 1.614027242 4.654907071 2.06018496 7.583361973 0.649279098 0.519534459 0.557771444 26.94011907 1.212651693 1.522048213 1.236005138 1.408673373 1.236131237 0.513871648 0.982126522 1.226538943 2.903522332 0.831675237 3.140998769 3.122263436 1.152021753 1.003431498 1.134762314 1-palmitoylglycerol (16:0) 0.707353537 0.751531866 0.947417176 0.711833923 1.048026008 0.368136034 0.519507789 0.909721508 0.64077179 0.85167983 0.834485943 0.996259425 1.306921314 0.899537122 0.850629203 2.170535537 9.567662004 4.333349568 2.741478321 2.495615431 0.601378175 0.551033153 0.926357833 0.635426508 1.135758701 1.470670076 1.003740575 1.265645377 1.025907277 1.306538077 1.248651367 0.59755914 1.145592162 0.92041933 0.574346084 5.441257975 10.7361326 2.761250506 1.644957076 1.332921296 tartronate (hydroxymalonate) 1.090284418 1.009363355 1.104305187 1.011336263 1.275859673 0.938541314 0.837025451 0.748234496 1.079445458 1.533034175 1.94355045 0.902265739 1.34643248 1.176204912 1.356814122 0.748787314 0.471069256 0.619625116 0.555438444 1.021418203 0.569157958 0.766471278 1.05596234 0.965527683 1.43687956 0.74888825 0.617345519 0.587827212 0.884438135 0.68862643 1.366062177 1.151813371 1.164417156 1.162347194 0.990636645 0.747973615 0.533860684 1.181250153 1.130237941 0.76791932 oxalate (ethanedioate) 1.189204573 1.217336838 1.455799226 1.327613721 1.26620868 0.765075843 0.804013592 0.645445257 0.834549458 0.835502001 1.351446405 1.183277448 0.925557726 1.201754614 1.554627538 0.913692275 0.650703264 0.651175345 0.644956817 0.991641996 0.857226357 1.217955588 1.085377262 1.024412873 1.008358004 0.778058397 0.746207022 0.669313561 0.969122806 0.974596868 1.308002368 1.22165173 1.113314103 1.339950045 1.331873653 0.893545257 0.787601237 1.149959946 1.223809056 0.968826245 HEPES 5.106990624 3.952672765 2.545145065 2.297206887 0.878900392 3.365581681 1 0.191460424 6.777500994 0.933303029 0.050941531 1.230246264 0.137048696 0.449750554 0.95602341 erythritol 0.571208469 0.838888552 1.18470185 1.30577163 0.970520476 1.543933429 1.209106215 1.133155683 1.12102133 1.511403966 0.581252195 0.862549207 0.525212272 1 1.136871813 1.012076212 0.746922807 3.755546942 0.769224433 1.002858562 0.708341913 0.784435373 0.920861445 1.21450599 1.487513172 1.435632699 1.189849683 1.608146901 0.736544774 0.869903947 0.808219576 1.006485059 0.98361172 0.947790065 0.751753292 1.113671435 0.495194951 4-hydroxybenzoate 0.443111802 0.608865976 0.677339639 0.750985279 0.667480928 1.784597213 0.389654626 0.962906154 1.119045421 1.329749638 1.454762361 0.290577533 0.944118977 0.732212304 1.027041037 1.019251117 1.281275076 0.713896168 1.771841248 1.444603036 0.547263823 0.798479888 0.990460839 0.547763268 1.872265184 1.272341876 0.572482241 1.100144626 1.109385541 1 1.312780346 0.501766994 0.969313725 1.154224334 1.681432247 2.711540965 1.039875115 1.772698115 0.975468023 adipate (C6-DC) 0.635368601 0.755892299 0.729765242 0.898873335 0.753128512 0.885187502 0.941623533 1.145430187 1.003182955 0.969537365 1.21476877 0.900519343 1.350466119 0.955360238 1.080832411 1.497965662 1.759188843 1.398939712 1.013569108 2.320731714 0.941027012 1.287398671 0.837404507 0.65181404 0.996817045 0.747499194 0.489342242 0.807501808 0.943325987 0.864208225 1.748224985 1.553895766 1.600490597 0.874238974 2.165869738 1.522661347 2.548195019 1.367554073 2.747598847 1.335609544 3-hydroxymyristate 1.730926617 0.44621738 0.405055507 0.459578653 0.61414341 1.175075091 0.457496959 0.408037268 0.396656225 0.402009698 1.098312185 0.915116308 0.77511538 0.576607593 1.248653943 1.464763337 1.201239378 1.053981901 1.675796381 1.392983984 1.638609133 1.036414328 1.144158292 0.582203098 1.178247942 1.011354092 0.896834262 0.721326366 0.965336764 0.948343094 1.304601384 0.988645908 0.860038495 0.883995314 1.181392467 1.469505279 1.363672001 1.35253595 1.484683386 0.902741979 1-oleoylglycerol (18:1) 0.799796176 0.804248169 0.949787488 0.976759387 1.134054923 0.427794475 0.714805068 0.834120673 0.610931771 0.926434282 1.272214339 0.977501167 1.092857734 0.530318751 0.978672773 2.243002621 7.07079076 4.532934878 1.848073741 2.849962084 0.757955192 0.817246598 0.706550348 0.673557027 0.67943982 1.30287042 1.219538665 1.044451557 1.120606686 0.779909773 1.021327227 0.900904111 1.097424148 1.172473345 0.357690431 3.594764301 5.268546127 3.47183208 2.259826329 2.357010406 3-methyl-2-oxobutyrate 1.28193086 0.925650094 1.129437695 0.626560736 0.720024378 1.150846657 1.375068043 1.23114614 0.821323431 0.861034328 0.84866004 1.017580589 0.921933226 0.849751754 0.634652665 1.066360057 2.573962419 2.335815039 1.24206953 1.444109861 1.079313023 0.874536668 0.937961376 0.862901162 0.982419411 1.713504816 0.906462656 1.455754549 0.776961516 1.019647968 0.738287434 0.87658832 1.159771633 0.839949382 0.71949796 1.830967896 1.985245354 1.179635629 1.689647215 0.954012285 2-oleoylglycerol (18:1) 0.781216563 0.795882487 1.047546693 0.775746384 1.106465744 0.214691729 0.376196429 0.7257139 0.585444013 0.841841462 1.357605853 1.012141449 1.159378155 0.482115878 0.797009558 1.728190225 9.256327469 4.162558446 1.638539026 3.611486131 0.949243106 0.543802356 0.644517837 0.471251703 0.845095161 1.451621092 1.087266971 1.189855028 0.59923659 0.73545492 1.133253448 0.461401407 1.181424741 0.987858551 0.223430581 4.263219656 8.564844327 2.874354416 1.39969522 2.218919725 homoarginine 1.118569691 1.143001447 1.813975646 1.852829895 1.390318178 1.053916326 0.872295419 1.035775541 1.05011165 1.833626659 1.341387903 1.28511372 1.020529535 1.048853292 0.941259454 1.09147927 0.916243545 0.805315102 0.731874911 1.035546091 0.726349856 0.979470465 0.928699661 0.87305893 0.943559774 0.728507359 1.208706065 1.079336907 0.977358174 1.661889908 0.710192863 0.718516181 0.937880382 0.826462915 1.180029412 0.921065039 0.791224446 0.636734464 0.487319283 1.141816914 homocitrulline 2.265135138 2.584100186 2.454127072 2.8855479 2.275836245 3.176327162 3.047473032 3.981878544 2.715192285 2.999787741 0.633154818 0.632335173 0.63337252 0.655022913 0.765555302 0.677130479 1.011285635 0.887003233 1.786724575 1.013893696 0.468669519 0.536897103 0.550814747 0.572014499 0.581071961 0.892132275 0.988714365 1.150924686 0.877854336 1.765664152 0.774650862 0.608112639 0.88376928 0.610111137 0.747961772 1.199342542 1.48566437 1.463066976 1.558733632 1.027087483 3-hydroxypalmitate 1.588412463 0.60681964 0.477630282 0.872730787 0.92920724 1.046630935 0.478402564 0.536235995 0.687895129 0.283741644 1.361298314 0.732912923 0.683881806 0.777408146 1.478716223 1.286594662 1.45652055 1.095254065 1.02885368 1.417618517 1.104355946 1.00352721 1.169547125 0.646451132 1.28766845 0.731836531 0.853151442 0.539887714 0.978573427 0.861880637 1.52972767 0.99647279 1.04833204 0.787189716 1.082220458 1.497130923 1.498424619 1.716987814 1.315147415 0.933216223 2-linoleoylglycerol (18:2) 1.063679778 1.143679798 1.046063363 0.788340507 1.211185863 0.310388768 1.530338356 1.779539102 0.989981302 1.505883082 0.707717681 0.890174455 0.702881945 0.536020518 0.768368147 1.85862298 6.611805485 4.061742416 1.929223731 2.716399678 0.753542179 0.798720181 0.570170035 0.6807817 0.30470593 1.211879253 0.815460065 0.98100544 0.747235135 0.465479496 0.886603437 0.794594866 1.0143369 1.010018698 0.377113732 2.457304612 4.922887306 2.520640493 1.970316703 1.130130464 3-hydroxydecanoate 0.716815704 0.483559797 0.568778776 0.98987453 0.941179697 2.153571887 0.338745738 0.665281696 0.675277771 0.854124546 1.728521536 0.612810831 0.975622754 0.655643732 1.322598132 1.486934464 0.949471443 0.861383664 1.564030265 1.45786506 0.756318212 0.821360314 1.347195402 0.674683192 2.017254826 0.70158141 1.240705955 0.598193804 1.259974621 1.351072101 1.345631322 1.01012547 0.607102613 1.044055478 1.44884526 1.765946098 1.947934376 1.036827208 1.496458744 1.314979475 N-acetylglycine 0.673213543 0.822834475 1.071266019 0.762852644 0.537350087 0.927846833 1.665713006 1.224931483 0.521315193 0.656021452 0.645412117 1.000204618 0.611559591 0.41953898 0.488422693 2.930769807 2.169246778 2.034938638 1.764002315 2.603080236 1.853447073 2.828981027 1.152897718 1.219970583 0.937271204 0.938279816 0.999795382 1.585463746 0.822017684 0.70264916 1.412894652 0.903486668 0.70417961 2.148207171 0.909517295 1.447809456 2.079387895 0.926825998 3.394571492 1.085425359 ribonate 0.689465021 0.95339894 1.095864697 1.211614819 0.867891185 1.23635791 1.213006363 1.235035369 0.937670514 1.871577196 0.988160956 1.011839044 0.814940276 0.812641891 0.681175101 1.750809005 1.568548886 1.587531527 3.50551243 1.668960247 0.898419081 1.109047418 0.624396116 0.501572241 0.50086863 1.586219904 0.933931176 1.745913546 1.786345174 1.52039868 0.566113333 0.948165043 0.662410807 0.619042687 0.633924877 0.614123573 1.377410569 1.23188025 1.885674595 0.976418768 threonate 1.038779472 1.091646896 1.252376705 1.241944702 1.158585848 0.894339699 0.888638529 0.876945764 0.91332297 1.028199219 1.124341723 1.104543314 1.009594973 1.157458499 1.258317028 0.915992847 0.741280796 0.765345174 0.813272589 1.003173834 0.802668404 1.124291202 1.161822903 0.99389375 0.845686788 0.798876554 0.744150559 0.75034242 0.962264691 0.973128989 1.179297698 1.124899972 1.003950694 1.14511453 1.012563018 0.850317028 0.747382909 0.987308396 1.357848764 0.996826166 galactonate 1.853126346 1.39072159 1.18388607 2.159808438 1.205970246 3.833163652 2.768128981 2.587928711 1.818259618 3.371029968 0.682859814 0.76844861 1 0.530120698 1.010803095 1.327782446 0.913988045 0.594092951 1.205578437 1.062090639 1.28498535 0.581764179 0.633970512 1.10390712 0.929806785 0.988009231 0.614140656 0.684955049 0.843166069 0.789296702 0.609481095 0.887046726 0.824393674 1.059830486 0.715708007 1.462137767 0.916630529 1.849849124 0.961871069 beta-sitosterol 0.991724976 1.298488043 0.946762032 3.266810663 1.194715263 4.194156524 2.025655419 2.258913305 3.464668831 1.605574453 0.859901445 1 0.57798673 1.648041181 0.800540631 0.224178383 0.331725235 0.27777591 0.410662597 1.88915245 1.601039875 0.319099293 0.745246194 indoleacetate 1.480397465 1.547959146 1.88773371 1.174409848 0.99431728 3.053371164 2.613029549 4.489340829 2.45361215 3.746817717 0.748372731 1.027119113 0.887668579 0.851345575 0.750855868 0.63439674 2.182913575 1.604782278 2.927891328 1.016095613 0.670162055 0.703855376 0.393406253 0.58400127 0.72893506 0.839235194 1.152509393 1.209878001 0.728043573 1.00568272 0.406782628 0.734153718 1.162743174 0.63615529 0.603121425 1.294438994 1.580105594 0.772752252 0.765506377 0.673414558 1-linoleoylglycerol (18:2) 1.315492823 1.089090685 0.90739328 0.973970135 1.214342393 0.301749628 1.755336215 1.957502724 1.014801654 1.398090127 0.787347857 0.780396004 0.63854316 0.532698683 0.705694424 1.705864684 5.959814383 4.002338645 1.919425697 2.449133728 0.916205589 0.893958416 0.756596143 0.546165557 0.300928732 1.139869373 0.826162338 1.059611759 0.591070629 0.463514304 0.985198346 0.868064562 0.890710094 1.120328114 0.384841041 2.321230989 3.621184485 2.21476997 2.295726426 1.052972542 2-palmitoylglycerol (16:0) 0.61551941 0.73868668 0.727863722 0.700707996 0.980347819 0.374606297 0.607966554 1.024910539 0.587057705 0.940673879 0.881231067 0.849574859 1.342245373 1.116572471 0.997329467 2.376898577 8.253908986 3.731726413 4.145757089 2.4040046 0.526737847 0.775988501 0.84096506 0.451960245 0.912328344 1.265215017 1.351810946 1.002670533 0.817731448 1.235071167 1.204655776 0.81526762 1.035526466 1.153152031 0.958789959 4.323939025 11.26774896 3.334697082 2.037385638 1.233271809 1-methylhistidine 1.111546836 0.914173285 1.019467319 1.107792914 1.565227859 1.128735248 0.592994642 1.123657088 0.786206741 0.974840434 1.559439379 0.795694168 0.877376464 0.72880697 1.096976621 0.550208105 0.931016243 0.489559337 1.859821294 0.83757996 0.740315577 1.048606213 0.950699262 0.980532681 0.88346882 0.834380935 1.081260001 1.166286009 1.215747922 1.32336216 1.214825237 1.179242049 1.357431454 1.241865305 1.140201191 0.889727561 0.860831649 1.303030672 0.73017998 0.864588962 butyrylcarnitine (C4) 1.542897972 1.435287114 1.329982561 2.010063159 1.900832807 1.235750828 1.53278919 1.027581907 2.125965383 1.916330197 0.623505921 0.647034242 0.881524454 0.589056375 1.122581538 0.967967636 0.623817486 0.469156556 0.45022227 1.649798041 0.74370543 0.930746389 0.644249576 0.594564596 0.905541405 0.518771892 0.972418093 0.472841697 1.228594284 0.610063865 1.325345988 1.176134849 1.043758275 1.083025504 0.961386377 1.565288042 0.805944971 0.879697702 1.544525283 2.080449227 isobutyrylcarnitine (C4) 0.918201028 0.795148428 0.572991478 0.514788571 0.779694159 1.398862748 1.019853474 0.955915147 0.980146526 1.567277125 1.067159829 0.751746828 1.540626283 0.444620608 0.932119836 4.568148042 4.860374692 0.849885703 3.576865371 2.203318522 0.817889953 0.87143149 0.573284815 0.516422916 1.323426476 0.941286422 2.768537388 0.822453889 2.085678463 1.114404719 0.799337296 0.895571137 1.244609984 0.890260486 1.248185435 14.23476108 10.36222177 2.997461051 4.309620987 3.213357839 3-dehydrocholate 0.264534952 0.953796335 2.960538769 0.506725487 0.438482457 1.542609525 1.489916332 1.722600713 1.073887798 0.43832602 0.319324401 0.242279183 3.622965993 1.56246138 0.829533218 0.889432942 0.470948347 0.67936935 0.304144798 2.212749093 9.00393439 2.176732083 1.260814359 1.046203665 7-ketodeoxycholate 0.925496665 5.149576852 11.81061388 15.39997725 6.645414592 21.21771293 29.42021597 1.732496198 5.511250474 10.05469156 0.417868766 0.756632993 7.501440875 0.234904052 0.807509408 1.031310672 0.73715634 0.194504733 0.446938458 0.11664541 7.727845651 0.347361503 0.259009322 0.229259113 7.320275113 1.632971327 1.771475545 0.659497815 0.693067285 0.512041327 0.126383737 0.399635961 0.409593588 1.012278789 0.193910565 1.924983364 8.807508037 2.926163476 1.65281805 0.987721211 beta-muricholate 0.616161444 0.947185641 2.205459234 4.500884755 1.28607492 6.288705322 1.242068349 2.139689244 3.975945795 0.274543957 0.395895892 4.639795111 0.44239995 0.340591821 0.860203009 0.660057337 0.292056055 1.050510511 0.207869937 3.646990327 0.403125643 0.210021372 0.214494368 4.240796859 1.626820364 2.451342437 1.551254322 1.051015412 1.03607261 0.088257436 0.211480702 0.326882598 0.408691465 0.126567819 0.859900094 3.437395674 1.524718177 1.16911646 1 indolepropionate 2.769901754 0.553423944 5.688803945 4.215677455 1.688278912 6.930691949 7.189012304 7.026741985 7.736960754 9.895725519 0.606291108 0.832336892 0.796214215 0.840454623 0.763237467 0.575762378 1.104507651 1.036058114 3.545609814 1.050474103 0.927589774 0.589985215 0.670068708 0.842310379 0.62230674 0.651774733 1.256315732 1.085347159 0.544410883 0.924532419 0.786854334 0.787990838 0.659827369 1.132226603 0.522021226 1.921069018 0.963941886 1.242135581 1.226231999 1.039592481 N-(2-furoyl)glycine 0.326761865 2.809077621 1.532251415 2.115537898 1.467023975 0.761653111 2.657496596 3.424147021 3.540921755 0.607948228 0.670389666 0.808165611 1.514361031 0.812363355 1.033894282 0.966105718 0.547942981 0.718151494 0.550928876 0.753195158 1.337968342 1.338168235 1.108404233 1.191209725 0.359444299 0.285371613 trigonelline (N'-methylnicotinate) 32.80720387 29.14846693 41.58788543 48.84144194 33.44089474 53.86970722 35.0257021 66.15838869 46.95353162 55.64141685 0.156978127 0.171402487 0.137585975 0.141702447 0.205949341 0.147733852 0.074621896 0.117095645 1.190160649 0.140407966 4.693657966 2.981333004 1.340742417 1.412575591 2.08933603 0.16456844 0.283910415 0.202596336 0.141961977 0.203740888 1.346157114 4.077255793 4.924916654 0.616317055 6.815753953 0.809839351 0.211752613 0.19756762 0.178199231 0.167669837 dodecanedioate (C12-DC) 0.610188686 0.639957289 0.597339946 0.43648654 0.65548285 1.214697218 1.359319087 1.163614061 1.497978412 1.049793282 0.635418459 0.837071323 2.616766018 0.713408078 0.798336841 1.4174414 2.309005149 1.292963344 2.85234391 1.669995043 1.440367931 0.765773756 0.522424258 0.539929491 2.44724383 0.98843231 1.147408999 1.036394469 1.01156769 1.111657261 0.703865653 0.825531577 0.834212125 0.854703042 0.70806032 1.919683606 5.358521924 1.842711767 0.809894236 0.690537438 N-acetyltyrosine 1.01128287 0.589055581 0.554620831 0.794672872 0.664476799 1.161540508 0.98871713 1.567563761 0.874071441 2.189546937 1.119209627 0.55940295 1.729226773 1.227237427 0.671069651 1.200574516 2.82085158 2.254408684 4.873061902 1.813526836 1.501067437 0.269278591 0.35672888 0.396448283 1.133619027 0.747785207 1.492528832 1.293722126 1.199906557 1.361300865 0.152162707 0.392282707 0.444439377 0.191070634 0.19890596 1.869702884 1.735444065 0.770023674 0.967042896 0.631604196 3-hydroxylaurate 1.541778635 0.47879444 0.354449823 0.402610255 0.484272302 1.331650171 0.663603431 0.394353889 0.401370359 0.359603077 1.055147267 0.819542132 0.731631916 0.571177508 1.268718771 1.57066479 1.213896933 0.945898775 2.381962593 1.285542069 1.599465417 1.153051052 1.141638141 0.699095737 1.155676552 0.974389747 1.008193724 0.683384862 0.909484435 0.909448327 1.467112268 1.070378524 0.826339583 0.914508209 1.155196387 1.656127494 1.890849438 1.175712381 1.654463601 0.991806276 pyridoxate 1.280427552 1.209496254 1.372140454 1.214311076 0.87319931 2.786997473 1.933473206 2.162627896 1.315370114 1.467995184 0.733681475 0.828437192 1.337911345 0.412385449 0.999616553 1.085492913 1.000383447 0.814191091 0.775557779 1.121647106 1.450029951 1.480161313 0.572428552 0.536046103 0.6167722 0.83732923 1.035665374 0.717849051 2.061828817 0.772521002 0.805704841 0.749262997 0.876566093 1.073604858 1.048586923 0.463639592 0.56957746 0.812946851 1.44693611 0.782083921 gamma-glutamylvaline 0.658505798 0.952723053 1.50478105 1.638332936 0.95551665 0.990516668 0.964403547 1.009483332 1.08646739 1.135225117 0.893256318 0.862915921 0.840496916 1.126698234 0.888918607 1.533530972 4.005662774 2.668720036 0.950105504 2.451811028 0.484218615 0.620680287 0.63600865 0.61686514 0.937217445 0.88710219 1.283296943 1.296322548 1.290569101 1.540280053 0.709860569 0.814261284 1.124999658 0.836212402 0.951051359 3.119629805 5.181816494 1.638896337 2.893785944 1.443555367 3-hydroxysuberate 0.403174715 0.52332624 0.389366837 0.499590992 0.62860624 0.484292806 0.574334714 0.451113937 0.540343086 0.510672148 1.313937303 0.837023922 2.06715998 0.575381835 1.350062234 1.560236136 1.557249512 1.411050659 1.053252198 1.904820138 1.390127765 1.295918406 0.682711007 0.664313523 0.927155969 0.795181139 0.953888358 0.808027529 0.949533115 0.616025762 1.623879171 1.431079669 1.29441007 1.318466816 2.042263434 1.046111642 1.381438312 1.094788506 2.369848618 1.229643295 3-hydroxysebacate 0.47794089 0.141744794 0.232364498 0.091937553 1.248199095 1.891305357 1.240433071 0.401940021 0.714136429 0.571099772 1.013391937 0.551001658 1.753844498 3.227644374 1.975547417 5.259447209 1.735327801 0.405165965 0.355570322 0.433917332 1.381969979 1.541095522 0.986608063 1.15049642 1.29315814 0.598811709 0.400614748 0.575844026 0.487158404 0.659996993 4.549728356 9.13466368 3.658944571 1.190403095 5-hydroxyhexanoate 0.714929814 0.542878072 0.405683573 0.542023463 0.885155931 1.361039499 0.611360333 0.294314723 0.390289261 1.098782538 1.0539312 2.312474447 0.504962976 0.983049789 1.085628379 1.84707616 1.771356698 1.127384954 2.085537523 1.298724049 0.853989688 0.646734316 0.644255667 1.205279267 0.56386851 0.755843138 0.702678531 0.538920184 0.802707491 1.001777359 0.663247286 1.369770136 1.401654704 1.625491187 1.300632013 3.675146504 1 2.279445668 1.14875017 3-methylcrotonylglycine 1.016983164 0.997483182 1.002516818 0.779298415 0.776543194 0.913267106 1.737866478 1.224520449 1.190933269 1.003617139 1.186421954 0.611397865 0.380895692 0.414488175 0.66664192 2.135250631 2.663044446 1.506086342 0.648522864 1.995683119 0.478946644 1.180826668 0.634278792 0.573027161 0.436133119 0.515035839 1.114324431 0.801355648 1.043488079 0.759378633 0.895376952 0.696236572 1.094177514 1.347758583 0.729030549 1.653604445 3.134375014 1.016023366 2.46494694 0.871787224 propionylglycine 1.108987824 1.021275959 1.263655105 0.884852913 0.731931305 1.417654659 1.939641014 1.426637542 1.622727892 1.848815083 0.842932792 0.846870289 0.900647816 0.599041526 1.004457007 0.828997346 1.42401454 0.985431261 1.295304797 1.314031114 0.485312238 1.102687828 0.816597973 0.675539759 0.884915793 0.589381933 1.492796476 0.621477774 1.562812062 0.797733918 0.995542993 0.983194523 1.40224602 1.455879821 0.759059612 1.174401179 1.240293621 0.854511728 1.062360672 0.936914709 butyrylglycine 1.179410241 0.923559672 0.822651128 0.489247342 0.562908455 1.031860358 2.605423049 1.818745595 1.663612194 0.729248555 0.428355553 0.751498738 0.951831072 0.190479826 0.968139642 1.836157793 1.186906194 0.903866408 0.458949014 2.814459207 1.974744732 2.675651705 0.574378336 0.675681976 0.508042216 0.703435679 0.855905318 0.923084863 1.049302665 0.288015535 2.449595792 1.953096616 1.43760399 2.191055793 1.096942468 0.709422239 1.744984137 1.076672642 2.072158381 1.428600052 2-hydroxyadipate 0.616445477 0.645652515 0.839904578 0.85666872 0.775464501 1.120186513 0.731972036 0.836649029 1.255958741 1.575107372 0.577704557 0.887515797 1.039086672 0.802822745 1.025396199 1.334888043 4.741079273 2.291841271 0.890879637 5.960944119 0.820040671 1.017941787 0.612066561 0.501317902 0.874752722 0.481455822 1.07087315 0.996762979 0.815987675 0.748740615 0.961011182 1.003237021 5.031266676 1.374329078 4.610341454 2.465876891 4.183062486 1.287789058 2.455067771 1.11794317 2-methylbutyrylglycine 0.559730852 0.689757821 0.60344444 0.386389309 0.442650316 0.549327776 1.321227988 0.733810141 0.839092487 0.536295225 0.653800611 0.712335138 0.599382533 0.403997606 0.496571779 3.474805409 4.9610387 1.809205172 3.08386619 4.356939762 0.782507101 1.458793169 0.738331345 0.519068718 0.445566851 1.288187313 1.999916752 1.277359387 2.095539509 1.150636485 0.996106023 1.003893977 1.210258972 1.184532601 0.711247178 5.044587688 9.821304777 2.599167237 4.856913209 1.755401404 propionylcarnitine (C3) 1.227198721 0.94328886 0.741669532 0.870837516 1.36070099 1.543894882 0.989395902 1.261824934 1.403949476 1.673122097 1.012558392 0.712151751 1.324076322 0.627961451 1.010604098 0.604805501 0.841765127 0.448080227 0.850838248 1.129579439 0.726431418 0.73835494 0.60298703 0.566338893 1.245621557 0.476378513 0.903397445 0.435016038 1.57292093 0.752600648 0.899322625 0.817719665 1.24267437 1.369775826 1.479671684 1.273594662 1.738092575 1.038871501 1.057205529 1.015869112 pro-hydroxy-pro 2.082467109 2.694383478 3.665482513 3.416436832 2.210221881 3.092186631 2.808619712 1.934399617 0.686944822 1.780925114 1.212910699 1.739647638 1.174313489 1.023562317 1.075064882 0.762335512 0.450554699 0.469121285 0.976437683 0.467991158 1.549093238 1.049464596 0.922893751 0.931841846 0.729551732 1.106513583 1.024116824 1.431261494 0.818518314 1.445309904 0.701083164 0.60646305 0.523915312 0.740122788 0.44744885 0.301332479 0.252967644 0.4446159 0.331980152 0.348682763 3-hydroxy-2-ethylpropionate 0.634165455 0.582759274 1.50252462 0.710353878 0.520389158 1.359587495 1.623252079 1.276175039 1.231325955 1.005587548 0.398004394 0.325013105 0.690883338 0.756446126 0.926354413 3.028423256 1.71316215 5.118911785 2.138603894 0.495815845 0.498786948 0.66231807 0.505034741 0.607716987 1.129164173 1.313393385 1.636793796 0.905798335 1.518542256 0.822905599 0.723285909 0.777260949 0.747548431 1.109173913 2.831882851 3.72407627 1 1.186921496 1.023140551 3-carboxy-4-methyl-5-propyl-2-furanpropanoate (CMPF) 0.569987273 0.500394465 0.77681353 0.798108872 0.497670642 1.626392864 1.383408291 1.701007181 1.201891128 1.440038468 docosapentaenoate (n3 DPA; 22:5n3) 1.993920996 1.556287518 1.375573068 3.623378832 1.283595282 1.685925553 2.381609382 1.62160793 2.443092784 2.510805106 0.864518912 0.54976759 0.497454438 0.408091527 0.708381356 1.432379917 2.837229511 2.110288542 1.070870492 2.052079706 0.644328273 0.690924439 0.668614004 0.583373179 0.573476776 0.929129508 0.718729471 0.702530251 0.501613049 0.431626909 1.610479992 0.541744421 0.701531853 0.811015373 0.511435592 1.382228926 2.037830623 1.618744775 1.270933009 0.655587171 docosadienoate (22:2n6) 0.807497273 0.538446495 0.549266628 1.100653601 0.379953381 1.37118606 1.19135745 0.882200378 1.09663283 1.126097735 0.776229849 0.824238103 0.88745329 0.796782077 0.947010216 1.346115986 2.702641393 1.820880849 1.492726536 1.308894225 1.149477759 0.73827754 0.738131431 0.870899238 0.776937802 1.842052662 1.274189965 0.839622274 0.899529663 0.899474935 1.052989784 0.752862879 1.129019924 0.771280705 0.727363013 1.666284489 1.541581321 1.841814669 1.346955488 1.384529217 adrenate (22:4n6) 0.556864784 0.506486106 0.424280878 1.329270994 0.319076633 0.372914119 0.663736313 0.515954001 1.200165082 0.723424631 0.791366802 1.207434539 1.330087804 0.500770951 0.895327494 1.657715351 2.911725845 1.829779161 1.005090469 2.750310018 1.457658922 1.117836724 0.727032131 0.728139685 1.178195413 0.994909531 1.190452477 0.912857324 0.634047104 0.467231726 1.83473056 1.115023222 0.766784674 0.72181201 0.515679226 2.014313918 2.069132933 2.284395781 1.851619002 1.055235142 docosatrienoate (22:3n3) 0.61180235 0.646182977 0.575369184 1.324854735 0.468692595 0.962240648 0.993771841 0.812866695 1.109537306 1.141732085 0.855480809 0.80133357 0.852863926 0.733857645 0.986958087 1.621610786 3.251202572 2.375853609 1.248545598 1.881011902 1.10456008 0.667411385 0.764294107 0.76454495 0.887434383 2.079409743 1.164044051 1.26553069 0.702599641 0.651872205 1.338409071 1.006228159 1.329156325 0.708727244 0.646345971 2.010322502 1.309436048 1.975734737 2.682399146 1.774349553 10-undecenoate (11:1n1) 1.309345074 1.626880951 1.286749141 0.4824298 0.623536662 2.350952565 1.93030758 1.838102919 1.004950495 1.081974821 0.773784525 1.328420035 1.283414151 0.6045623 1.075228758 0.837315878 0.826330276 0.527069638 0.997058107 0.876472637 1.021655034 1.008593201 1.378310474 1.212004781 0.968740701 1.002941893 1.4542392 0.59752881 0.52942907 0.715642415 1.009121558 0.919650828 0.98761869 1.035478548 1.031332001 0.426367304 0.312802643 0.518614233 0.365134516 0.5688834 myristoleate (14:1n5) 1.578562656 0.495095882 0.461303286 0.688409048 0.403219301 0.525077201 0.561358688 0.488695889 0.527346343 0.471722478 0.486734175 0.867907159 0.866652091 0.527374715 1.330714297 1.926455127 2.725095652 1.43991841 4.641812701 1.829478274 1.966497614 1.139600502 1.22345727 0.86474242 0.682312402 1.316876151 0.921714229 0.857488808 0.826443537 0.812937057 1.535339604 1.184375119 1.078285771 1.191109273 1.097935439 2.932075892 2.843961538 2.091990481 1.798200957 0.889541949 1-methylhistamine 0.904563676 0.828897436 0.822622319 0.645958547 0.705352053 0.963460925 0.983176403 0.891644086 0.764537807 1.333788091 1.241212885 1.639505674 1.356289028 1.437286805 1.824298458 0.797503105 0.499997693 0.590336764 0.518876399 1.016823597 1.281330833 1.436555783 1.249425921 1.288200458 1.242358928 1.365408439 0.841928736 1.229044505 0.962470239 0.925243692 1.310029689 1.196330124 2.038359131 1.75941604 2.245636509 0.476004525 0.337812845 1.212955391 0.847811712 0.882427962 4-imidazoleacetate 1.113093958 1.246126558 2.090868173 1.718460063 1.694710308 2.568789408 2.265128836 3.047421004 2.245606514 2.413007649 0.958261885 0.985162351 0.957121406 0.756496021 1.161664957 1.014837649 0.883200555 0.739649568 3.788440384 0.814366423 0.737970965 0.56304419 0.649713001 0.607461028 0.77501965 1.054651176 1.679904061 1.127669445 1.51105889 1.586475163 0.722188864 0.675513906 0.77046487 0.960933946 0.83703089 1.56812282 1.303927017 0.713227276 0.742478166 0.771264205 1-methyl-4-imidazoleacetate 0.82696116 0.833669741 1.292522434 1.153081801 0.743619337 2.394625104 2.010849778 2.44977953 1.090546832 1.287070814 0.629302944 0.881769862 0.928996883 0.592218809 0.803674601 1.529345779 1.454881803 1.023608224 5.584963783 1.208513044 0.898985587 0.871843914 0.621134483 0.610851881 0.779997411 1.34204121 2.404698133 1.642332859 1.51482349 1.640092903 0.647355652 0.586311333 1.206630454 0.650949513 0.903789955 2.07484546 1.281081005 0.74760383 0.976391776 0.802141419 sebacate (C10-DC) 0.861761544 0.536461291 0.819587411 0.5925881 0.462474615 1.623682058 1.595001149 2.359064553 1.198673099 1.616073513 0.741976568 0.785609924 1.463351252 0.902300023 0.440314266 1.477094418 2.966520561 1.797362738 2.157077877 1.747054445 1.075925569 0.623253848 0.453726625 0.598928555 1.474793476 0.661767057 1.041734895 0.933237767 0.739921893 1.10937009 0.690771422 0.75972249 1.510149322 0.560452102 0.958265105 2.432606478 4.690253159 1.413112796 1.220719504 0.821160579 guanidinosuccinate 0.666370841 1 1.392765181 1.041886453 1.152221194 0.983525412 0.766518337 0.862553436 1.019437014 5.104222394 0.630146746 0.792830179 1.09278518 1.233556661 0.60918477 daidzein 0.493027854 0.117066585 0.587810402 1.441638138 1.463259346 1.093603011 0.291546127 1.454794581 0.906396989 1.828020111 genistein 0.540902656 0.13663086 0.496821266 1.317941834 1.017493411 1.08292408 0.33781074 1.361348514 0.982506589 1.394691673 stearidonate (18:4n3) 7.156698789 2.703757904 2.212745106 5.425941571 1.21291727 0.330040375 4.35083035 3.270764836 5.796444351 4.722250705 0.389963053 1.410746934 0.875393083 0.278111145 0.637869277 1.91201455 4.417779005 4.360278053 0.235242249 3.395379371 1.867837282 1.199903253 0.531203245 0.680172926 0.202292603 0.674953531 0.116683934 0.552422107 0.108304258 0.058874076 1.238644016 0.82419517 0.953962825 1.390656281 0.331449303 0.435086082 1.046037175 1.403924735 0.902981641 0.266738021 5-dodecenoate (12:1n7) 1.414381681 0.75569921 0.651124705 1.08036678 0.883136968 1.082895781 0.509435765 0.443477344 0.767238594 0.521593154 0.921189349 0.835034508 0.844840896 0.45905415 1.919677597 1.165658752 1.301834192 0.801737006 1.838482211 1.335348711 1.360907849 1.26569271 1.051951935 0.872794416 1.065535486 0.701217815 0.761239363 0.467503705 0.78891328 0.637162635 2.098043576 1.824316857 0.948048065 1.119167349 1.449640613 1.463928195 1.967890738 1.376297475 1.212816793 0.943453594 octanoylcarnitine (C8) 1.678179796 1.35617842 0.880796833 0.325123296 0.562253925 0.596691029 1.46436908 1.166129449 0.617527024 1.281412519 0.635819711 0.947098336 1.210879867 0.584996428 1.003505261 1.29570742 1.080973146 0.792271749 1.460673948 1.266954742 1.711931505 1.089543728 0.898626991 0.827006406 1.390261578 0.924309641 0.9642383 0.662885748 1.045526098 0.692156746 0.990598846 0.876763354 1.081584752 1.153262628 0.924670486 1.756691521 1.133831917 0.895716839 1.117053397 0.996494739 tauro-beta-muricholate 0.18748382 1.150531628 0.392079682 195.1737704 4.200204302 172.7243019 3.626070195 2.677143947 160.8881668 2.616512779 0.170123981 0.108179776 27.65254433 0.137384351 0.263208498 0.736566444 1.277306152 0.782045212 0.726512849 0.664776212 17.77656567 0.076975911 0.953419843 0.733173654 14.61429892 4.024161744 2.696092025 0.349070729 0.551020694 0.57077805 1.561108105 1.046580157 0.190484214 11.94069703 0.519976585 0.256565184 4.702079403 1.73482253 1.181316279 0.509689769 decanoylcarnitine (C10) 2.489973229 1.412004913 0.937596617 0.51111048 0.326511072 0.676571386 0.688816879 0.903208595 1.38768597 1.025949707 0.804965778 0.947015751 0.704860275 0.217785933 0.741473063 1.280987128 2.072125844 0.973014092 2.387894841 1.38819648 0.974050293 0.385145508 0.25539669 0.716370364 1.898642398 1.33027271 1.113213185 0.775219012 0.494466055 0.227371489 0.374775633 1.093464094 1.930624613 1.60862492 1.379963663 3.154477912 1.942348914 1.097346894 1.165340306 1.248321234 N-acetylglutamine 0.757267573 0.84506268 0.953076604 1.883946498 1.400005369 0.955860106 0.904352792 1.051719678 0.862258406 1.173433471 1.155006926 0.783323525 0.792419416 0.726123039 1.06910175 1.372123061 2.00782352 1.915231905 2.451746767 1.689890675 0.880282622 0.859210882 0.564695883 0.465044382 0.883300056 0.990905767 1.494229002 0.872334293 1.084089979 1.614102335 0.846973049 0.691504518 0.682523858 0.789575055 1.009094233 1.662568686 3.756356582 1.297672702 2.476476878 1.108276663 N-acetyltryptophan 0.788877007 0.787839341 0.855734035 0.902452046 0.890407152 1.798748246 1.911109829 1.796415054 1.304981015 1.852359655 0.925953524 0.76351228 0.960593054 0.704966064 0.793826711 1.094020268 1.291822344 1.377497943 0.999023819 1.23672066 1.333423259 1.01217301 0.676101007 0.659625107 1.280672373 0.826543674 1.502970797 0.890351626 1.182106525 0.978075742 0.612829901 1.180731367 1.2027423 0.621138817 0.615612992 1.220385608 1.378625535 0.938730553 1.000976181 1.059763463 N-acetylphenylalanine 1.185913544 0.978553378 0.872083108 1.101311375 1.021446622 1.581526749 1.53350711 1.875399066 1.540714825 2.090410993 0.622590858 0.442972617 0.977081745 0.559440058 0.479590204 1.889930474 2.601376557 1.744372465 3.586120142 1.624553644 0.57340297 0.420377245 0.361800703 0.404353171 1.095200045 0.735704875 1.774074765 0.741897711 1.475724885 1.199995501 0.238342166 0.319864788 0.766962505 0.341003718 0.40260693 2.108985265 2.08467272 0.84708609 1.257945996 0.809637669 N-acetylasparagine 0.707354975 0.498806696 0.500229243 0.702117796 0.656354994 1.087698562 0.81633553 1.526308181 1.432869056 1.406012954 0.7944421 0.628966304 0.986384503 0.73020407 1.013615497 1.055696541 2.457958745 1.483939124 1.88377639 1.535167983 1.033169043 0.446615966 0.483086398 0.491342064 1.123239976 0.89227444 1.34513107 1.230079958 1.169401033 1.287329364 0.531863672 0.858111768 0.841311693 0.576514573 0.676670006 1.833048727 2.646289477 1.104113158 1.346339706 0.959478027 glycylleucine 0.760411723 1.793612518 0.835150388 0.781857244 0.827974091 2.166151478 0.568691079 2.988392227 7.982748669 1.164849612 S-methylglutathione 0.830962149 1.85028253 1.07838842 8.723469309 1.462946048 0.377018345 1.667838068 1.171220683 9.213731713 1.874193049 0.476979642 0.744786748 0.432572181 0.660136233 2.104388885 0.974525892 0.904156668 1.313027324 0.790533323 0.849887762 0.554454679 0.98184844 0.966398328 1.034220915 1.306811673 0.873836984 0.88242124 1 1.832053565 0.335041412 1.078450344 2.1259308 1.041086771 gamma-glutamyl-epsilon-lysine 2.102403868 1.638513353 5.898913164 6.537000549 2.835642797 3.050094564 3.025330611 1.909917045 3.099398466 4.828610893 0.82296394 0.648501301 0.738874703 0.651342285 0.818594153 0.492288751 0.870267194 0.367947148 0.714627944 0.571191067 1.053885988 1.34254883 0.946114012 0.880684274 1.063210674 0.802603521 2.395658182 1.833891782 1.45309619 2.939616177 0.586210377 0.888625487 1.359890031 1.273653974 1.255736519 0.59754436 0.624723223 0.624258339 0.382717353 0.673269263 1-palmitoyl-GPC (16:0) 0.953883488 1.038118025 1.00472773 0.858092408 0.999205186 0.741698744 0.799470079 0.768553863 0.803297589 0.796946472 1.058942796 1.073891203 0.737750832 1.077655314 1.000794814 1.097040007 0.990551978 1.108310492 1.093504152 1.049357389 0.806686914 1.030610851 0.996077017 1.012830472 0.806447758 0.971665531 0.893676167 1.042819694 1.0469611 0.937914701 1.170433585 0.938500173 0.986765241 1.008062064 0.899348091 1.112401125 1.04494905 0.976927161 1.334598647 1.067608553 N-acetylarginine 0.976797322 0.862307401 0.88658462 1.135633604 1.015584574 1.261373255 0.984415426 1.908109608 1.748261671 1.889573169 0.956200141 0.584685783 0.821682252 0.759323244 0.834021994 1.118496612 1.367033032 1.06027431 1.431997287 1.414666648 0.661731751 0.485752987 0.527761862 0.576021587 0.867405353 0.687637998 1.39745604 0.97293287 1.212541325 1.322652482 0.51273028 0.72331692 1.27720413 0.726005266 0.936085829 1.649833454 2.401854517 1.07213817 1.278259954 1.077905151 campesterol 1.381591822 1.731071935 1.464650996 3.646853353 2.030113208 5.099153337 3.329510797 3.082017 4.595185874 2.00661213 0.636594074 0.382857385 0.339488531 0.459321968 0.352201397 1.476072452 2.018893911 1.685573501 3.270012702 1.678737981 0.333761649 0.33618939 0.357850739 0.437870161 0.255776729 0.852172781 0.897723832 0.840082082 1.090474397 0.509383262 0.643434209 0.619486353 0.225004431 0.211400778 0.427123488 3.622023941 3.894408998 1.410506853 1.968373839 0.909525603 myristoylcarnitine (C14) 1.039554566 0.971559462 1.028440538 0.808234217 0.644763667 1.226580324 1.276906923 1.10020658 0.830625001 0.779650117 0.591740158 0.649524353 0.794511968 0.404906502 0.623093074 1.567315719 2.507587627 1.359130457 9.590779891 1.34317509 1.099960281 0.833405482 0.667670093 0.669528109 0.834027096 2.01984885 2.73972966 1.63260175 2.43961699 2.060814175 0.886617965 0.696852834 0.740019414 0.800554005 0.632281305 2.764962161 3.699196869 1.223714354 1.804720352 0.82987885 1-stearoyl-GPC (18:0) 0.660835765 0.768231501 0.724096156 0.646903277 0.742047159 0.630143489 0.63218511 0.651433141 0.730705008 0.640755728 1.048070006 1.013686676 0.77390322 1.087329526 1.02662644 1.126325984 0.993583718 1.122983547 1.140778275 1.066254731 0.850886259 0.986619402 1.007355223 0.982256528 0.825417112 1.080589905 1.105340149 1.037254848 1.163279864 1.006416282 1.164897875 0.964491028 0.853308596 0.99067956 0.846867095 1.165749477 1.080902863 1.053763392 1.435124951 1.241942488 1-oleoyl-GPC (18:1) 0.627870581 0.744866272 0.824297347 0.826782385 0.828438631 0.86427551 0.643376807 0.630325952 0.791984592 0.671420394 0.961899317 1.037104068 0.776124329 1.139032821 1.030697429 1.101396462 1.039193307 1.154122667 1.070381897 1.016676832 0.920736926 0.984654377 0.976755623 1.001088049 0.860288823 0.998911951 1.015141186 0.876092218 1.009178093 0.942676416 1.097709195 0.928753248 1.049127701 1.00896051 1.008704951 1.218750697 1.070400899 1.067150179 1.312202486 1.25635463 N-acetylthreonine 0.824039494 0.728356516 0.962093764 1.323161226 1.115824055 1.431607524 1.404967736 1.721830686 1.256584355 1.965134892 1.188038981 1.119114869 1.064817531 0.899793362 0.83038328 0.844330508 0.991507225 0.87344129 1.797863231 0.830844 0.884197454 0.933344264 0.709448909 0.622149917 1.052374969 0.962997748 1.547656016 1.390256174 1.241262448 1.226767219 0.90506203 0.943307728 1.264624515 0.967218107 1.082607626 1.008492775 1.839514455 0.716902414 0.962683224 0.769893028 phenylacetylglycine 3.679402075 5.117490374 3.74511669 2.448316194 3.69556715 0.502598445 2.963993421 1.005359438 1.124632571 0.883085081 1.032397885 1.453709659 0.913674778 1.313171568 1.112318227 0.928480292 0.808412626 0.913555223 0.503016019 0.994640562 0.584453528 1.019018523 0.71746295 0.934726879 0.4417114 0.974974091 1.217483235 1.884232654 1.685626617 1.297152026 0.890331283 1.895014554 0.685863028 1.028178336 0.342474653 0.46354477 0.307995259 0.856532903 0.905999386 1.535442901 N-acetylisoleucine 0.81190671 0.790528332 0.696000306 0.980471526 0.990956209 1.197019176 1.045989816 1.415002025 1.588470915 1.823291543 1.356518246 0.654226643 0.572138911 0.794774572 0.726090711 1.361017374 4.665135787 2.905858217 1.259994763 3.43383526 0.374042319 0.65162946 0.427550468 0.428416466 0.854790314 0.678657564 1.517106117 0.864951366 1.103892197 1.009043791 0.511533639 0.663851832 1.214758732 0.756547031 0.906563213 2.900770373 5.18544244 1.70964812 2.290917829 1.044871743 10-nonadecenoate (19:1n9) 1.41980546 0.783559697 0.579735172 1.354797242 0.558532226 0.700452951 1.450257416 1.036643945 1.185446871 1.482753614 0.448312126 0.70291769 0.747544178 0.467269242 1.0061568 1.36644866 3.573996004 2.404424064 1.23192297 1.764586283 1.373026434 0.783597478 0.758736091 0.873427529 0.757193226 0.9938432 0.74054277 0.68583078 0.567566692 0.441396236 1.43088185 0.901407653 1.362005693 1.152970722 0.739530606 1.612545549 2.210553286 2.140695516 1.474583873 0.854556885 10-heptadecenoate (17:1n7) 1.889120408 1.214996417 0.718647486 3.85583769 0.509416301 0.372924841 1.915895639 1.122490535 1.912002431 1.437618166 0.322038661 0.862808428 0.607283059 0.51327395 0.942221894 1.030357169 4.013324233 2.628588002 0.861895687 1.832671451 1.604094237 0.986239099 0.584743634 1.013760901 0.41432264 0.982159975 0.410804683 0.729296666 0.283894861 0.181988214 2.087214842 1.323098553 1.919820047 1.599658923 0.421807574 0.911449085 1.427566054 2.315529038 1.193570778 0.657008952 hyocholate 0.844646757 1.290222289 0.961906698 0.705470542 0.731886387 0.990640107 0.862050344 2.022283587 0.439493022 0.991934444 0.718134056 1.200501993 0.198313426 0.949518668 1.13439023 1.480739084 1.965162218 1.34007613 1.696027566 1.021253802 0.993945913 1.006054087 1.466536358 1.934697197 1.73212033 0.925634652 0.570011172 1.811669585 1.135142344 1.404849828 0.453201626 0.945836804 0.892952641 1.496857079 1.90707447 0.980477812 1.35843735 0.584664292 alpha-muricholate 0.612369205 12.29853531 1 154.0400278 1.947813107 0.284928158 1.042149184 1.525062499 0.430072024 0.251478142 7.431318626 0.263182943 0.208988238 1.687656079 1.152662683 0.67971001 0.441843077 12.13171789 0.702569324 0.268814282 0.247232667 10.01836506 6.30309176 3.168004532 3.310563256 3.440942604 0.920892199 0.130530779 0.402254699 0.558175852 0.511616242 0.180133881 0.55814205 6.386981805 3.892799052 3.439382324 3.542264785 N-acetylhistidine 1.046361426 1.02467977 1.001378 1.409915776 1.1099209 1.29280215 1.274883121 1.587778626 1.424480722 1.423974394 0.771849009 0.497994281 0.71812541 0.495278465 0.884714442 1.473536867 2.635602776 1.755591283 1.956437773 1.639918278 0.48347153 0.480410125 0.344502783 0.347234673 0.529058395 0.622859537 1.782804363 0.765388648 0.998622 1.013078446 0.383215386 0.524223506 0.908245934 0.45835676 0.684180723 1.890580404 2.399276541 0.941819583 1.427118847 0.989698317 gamma-glutamylglycine 1.141149763 1.32623461 1.793526206 1.750764521 1.359113873 1.721263579 1.650249749 1.832331966 1.194120785 1.349346709 0.73319759 0.888959928 1.104790895 0.835019943 0.914691731 0.950471761 1.380913463 1.063687072 0.500824841 1.083076613 0.886539291 0.815911159 0.864461061 0.889523559 0.995497825 0.906699729 1.620436598 1.532550606 1.172911849 1.473842991 0.704554587 0.87459429 0.456261893 0.901855337 0.462842373 0.8459069 0.883171481 0.562812532 1.484443725 1.004502175 gamma-glutamyltryptophan 0.934398349 0.864175452 1.140736344 1.148110299 1.33196324 1.483547614 1.378992243 1.43108583 1.378566437 1.817261668 0.858412045 0.941774809 0.813406873 0.994902854 0.901591261 0.84114687 2.079961327 2.091102411 0.590459945 0.955713688 0.44781499 0.704999211 0.627953402 0.68803711 0.971991995 0.740696769 1.359082063 1.255175419 1.139716914 1.233952756 0.791598099 1.150577468 1.028516467 1.179361942 0.747299264 1.117001425 1.005097146 0.580508613 1.367613208 0.984746132 stachydrine 95.92513892 97.03454946 103.6323258 140.6873759 85.32620595 194.8285126 133.2498491 217.6169368 123.2726757 180.2469545 0.758966892 0.73686078 0.653998665 0.72565711 1.490234384 0.9795898 0.708426789 1.023841064 7.906241911 1.164621766 1.009230323 0.886301804 0.99137121 0.929762804 1.00862879 0.594012135 2.042624306 1.129252356 0.500334204 0.855577874 0.398951614 0.401523607 0.334917902 0.573970501 1.25535625 1.29459543 0.931508036 0.632898111 0.609680179 0.378335705 alpha-hydroxyisovalerate 0.41440476 0.463249101 0.459727077 0.656341381 0.445615625 0.773476273 0.565555633 0.549054869 0.778676003 0.603920365 1.009319774 0.905934582 0.870881487 0.968646404 0.961916892 2.48502009 2.168289797 2.047799977 4.732089758 2.209182041 0.918905722 1.083821984 0.899784469 0.925097156 1.059872827 1.58486783 1.814377605 1.901283523 1.836442895 1.927107492 1.099780217 0.959347071 0.661358514 0.990680226 1.150007533 3.840855218 1.959943216 1.291087822 2.834911099 1.329778545 nicotinamide riboside 1.007701852 0.997049123 1.146435911 1.3703918 1.132551576 1.348899904 1.287079361 1.332283276 1.109049569 1.369755337 0.972274189 0.909221436 0.899258745 0.624375055 0.772561777 1.264490261 1.228970451 1.103053525 1.117304309 1.296508451 0.746113179 0.793020759 0.860432324 0.891689757 0.744325938 1.062767738 1.093641579 1.142430691 1.002950877 0.959587777 0.794452266 0.738940642 0.681451051 0.886381608 0.549085914 0.914771741 1.63421131 0.794634419 1.22348872 0.805720029 ophthalmate 0.389369965 1.010434643 1.93263899 6.866080186 1.377935202 0.97109214 0.704670477 0.366369031 1.4201806 1.133106141 0.589103939 0.359705537 4.158200196 0.430470075 0.575712279 1.358249503 1.578840608 1.119731451 0.282456154 3.008160579 1.077811706 1.062450994 0.406372012 0.400387572 1.682150454 0.434722593 0.620505794 0.679403276 0.648883665 0.885298735 0.817936807 0.52911575 1.327501706 0.657609779 1.2674743 0.989565357 3.504381059 1.236729943 3.829390605 1.044008279 gamma-glutamylmethionine 0.939181714 0.864500833 0.731272268 2.002189119 1.669909603 2.052994405 0.955168347 1.508451878 1.407671343 0.507985248 0.569540486 1.519074204 0.311182095 2.20519822 0.790140952 1.496827612 2.115629333 2.580839485 0.619367304 1.006924896 0.422778595 0.501631937 0.929437836 0.993075104 0.148302343 1.226900966 1.337904277 2.464742189 1.716298511 3.051884442 0.282158371 0.648716695 0.27538564 0.379741979 0.737001184 3.987214161 3.043249327 0.542671874 2.642725592 1.728606384 gamma-glutamylthreonine 0.739612141 0.883583292 0.889297902 0.897893217 0.89656319 0.940658147 0.787723255 0.990430865 1.049262501 1.011095059 1.009569135 1.050323436 0.713398622 1.421707114 1.307814716 1.433432637 2.646853903 1.898288792 0.876672005 1.727855628 0.350588906 0.578709059 0.662631928 0.69333938 0.78939437 0.945166505 1.405761915 1.610105114 1.340305405 1.848967647 0.950700902 1.148701421 0.952544105 0.896742207 0.820758742 2.26608143 2.727030778 1.129395284 1.75850683 1.24367891 p-cresol sulfate 0.028006494 0.040637378 0.916245594 0.413725279 0.021728066 0.035322599 0.057005696 0.045816417 0.074627 0.047118405 1.212572667 0.940659481 0.83886071 1.129811164 1.056226482 1.081264918 1.6190902 1.088861529 2.133090107 1.096322411 1.025748357 0.935098813 0.950350119 1.005221615 0.863126592 1.12482316 1.121658284 1.157837048 1.056700775 1.346202587 0.887516259 1.308663942 0.61476861 0.97935584 0.414637683 1.020102443 1.009099463 1.012325963 1.117239507 0.994778385 nicotinate ribonucleoside 0.865224012 1.77433285 0.840474396 2.87960762 1 0.818185012 0.936864104 1.436379391 1.169418302 2.217487124 0.529779473 erythronate* 0.780450387 0.903931392 1.17348148 1.322792166 0.933982585 1.419622378 1.441559992 1.530744162 1.068744353 1.404461415 0.820911017 0.797077352 0.713485399 0.812983554 1.024216587 1.204875402 1.220762791 0.975783413 4.676945362 1.131662543 0.882080029 0.91810161 0.816321203 0.773814487 0.691822391 1.556219703 2.119296588 2.003351555 1.726777282 1.858638257 0.897898746 0.920101455 0.828673927 0.973838298 0.717371738 1.781518886 0.97561008 0.928271398 1.411601582 1.084274742 N-acetylproline 1 0.761462411 1.843235125 1.830909684 2.773223119 1.013982161 2.840840004 3.717118308 4.439855218 1.686116668 0.55000581 0.716928397 0.679564755 0.97139473 1.155434252 1.284229807 0.806242558 2.755146637 1.294978491 0.24719351 0.204611077 0.618590989 0.45515051 2.271413346 0.4849877 0.956942791 0.200011994 0.835256385 1.209822371 0.689957358 1.113916317 1.27734805 0.494198359 1.084761306 1.619121989 1.626912068 0.97735817 0.735890712 0.728819044 eicosenoate (20:1) 0.942666192 0.446177786 0.440023924 1.087406945 0.503032425 0.628830959 0.602515344 0.630983032 0.904413006 0.992956069 0.854516674 0.936442723 0.794221625 0.600501668 1.289051665 1.138196364 3.028400271 2.053277162 1.10905978 1.534725285 1.397051559 0.742764741 1.007043931 1.018568181 1.102160653 1.240741745 0.819350068 0.656820564 0.850323494 0.706974215 1.856943927 0.875784999 1.345392984 1.461951752 0.892405202 1.639723363 1.695618585 2.013894113 1.220462138 1.113861547 linolenate [alpha or gamma; (18:3n3 or 6)] 5.303677169 2.147600506 1.048975258 4.657698073 0.587686073 0.178814347 5.453383707 2.73919468 6.218041864 4.0551793 0.359167186 1.037712745 0.852317308 0.486413196 0.82449775 1.549477957 5.825821855 4.091749242 0.461088853 2.655692339 1.960271997 0.877243863 0.428030352 0.836870985 0.288889847 0.865124804 0.197109582 0.638186596 0.161618581 0.104836909 1.691994843 0.962287255 2.227875546 1.218197999 0.336631633 0.685810413 1.417154341 2.308526154 1.204967636 0.438408275 aconitate [cis or trans] 0.945325006 0.901503502 1.128120132 1.523511367 1.357283543 2.013504119 1.33963956 1.742447888 1.322425266 2.056089834 1.016107516 0.822905011 0.849314369 0.678442624 0.824627615 1.009751384 1.249968288 1.081529666 1.765182746 1.204985602 0.713927632 0.723487028 0.823839351 0.743657148 1.112951011 0.865823616 1.509934615 0.989253106 1.38559414 1.386683307 0.927047158 0.768148311 0.752360712 0.832971128 0.769364122 1.418534126 0.846405706 0.725763111 1.048031825 0.990248616 heme 1.7191 1.256810576 0.977328869 0.782641436 1.582608308 1.022671131 0.599976175 0.962514347 1.986938987 4.080216611 3.216664596 0.826320793 2.884832199 1.99221476 1.111087774 0.493588472 0.29103696 0.472295238 0.180010044 1.289295397 0.757479737 0.521312254 1.49110227 1.931344131 3.284405672 1.270663347 0.684593185 0.328052547 0.612207313 0.506207339 1.732107358 1.649526876 2.995777353 2.005402418 0.744701057 0.415505518 0.176210043 1.884137201 0.439098937 0.531607758 stearoylcarnitine (C18) 0.238790659 0.33553452 0.418164442 0.548200091 0.381775067 0.559508888 0.422332008 0.426393603 0.569319217 0.452456941 0.782192845 0.858724484 0.981792367 0.713139824 0.707901097 2.726684034 3.762815175 3.066429539 22.17944799 2.690350833 1.003774724 1.056648903 0.976230065 1.014832214 1.078500707 4.409761689 6.063752839 3.55375006 5.934609184 5.598792566 0.820084026 0.779725005 0.996225276 0.933686189 1.045505419 5.392401701 5.803630224 1.908448744 3.938600497 1.702129935 laurylcarnitine (C12) 1.339339532 0.996695427 0.704025242 0.620207775 0.422025457 1.170683633 1.367856921 1.086276661 0.815388139 0.680616474 0.545145902 0.685250778 0.824227276 0.492611253 0.835018651 1.742823253 2.546114245 1.103943182 4.868386436 1.615322932 1.440549563 0.950385118 0.811866118 0.717342628 0.905487992 1.381690214 1.540878049 1.003304573 1.41312746 1.105186748 1.048091392 0.764592167 0.792663449 0.806290957 0.716031612 3.581782093 3.92569291 1.324124158 1.558136618 0.899395296 isovalerylcarnitine (C5) 1.038420302 0.778599406 0.725491807 1.103465608 1.009512786 1.64495752 0.990487214 1.240098405 1.612683862 2.242928473 1.043878416 0.558336314 0.745018568 0.668032244 0.725157753 0.741390681 1.619786078 0.678897029 1.899153938 1.029434649 0.391100786 0.441446651 0.417800968 0.407703092 1.406346788 0.759368832 1.097033816 0.603601614 1.437942074 1.25404032 0.265691664 0.415656117 0.976979701 0.729132279 0.895803913 11.24929083 4.599323062 1.25087355 1.79459355 1.364095142 1-linoleoyl-GPC (18:2) 0.742008806 0.851634748 0.79360481 0.815860721 0.845029874 0.968103778 0.856260083 0.925879455 1.165034615 0.955876936 0.920047285 1.041300213 0.7932488 1.129176246 1.032059679 1.426443084 1.493796173 1.605750189 1.081692211 1.264606277 0.921518728 0.894261049 1.028759485 1.019889092 0.904941869 0.966461926 1.035824953 0.859313763 0.983583997 0.962101769 1.016416003 0.977467676 1.079913103 0.9208162 1.075054472 1.368728611 1.307953377 1.102197643 1.336055218 1.195436456 2-myristoylglycerol (14:0) 0.729285999 0.710388852 0.632631719 0.57015793 0.671343066 0.410268082 1.096411413 0.816208361 1.374846715 0.642175182 0.642307896 0.906952887 0.969930989 1.630594559 5.255003318 1.77715992 2.788221632 1.006534837 0.795539482 0.760257465 0.877061712 1 0.553861977 1.104483079 1.022521566 1.072776377 1.236806901 0.846856005 1.020897147 1.174943597 0.667126742 0.378789648 1.980936961 6.157908427 2.292683477 1.444107498 1.040179164 N1-methylinosine 0.96566789 1.224714688 1.883333266 1.640843226 0.915514206 1.671527613 2.111155871 1.500912434 1.153375605 1.159865371 0.816671165 1.082852274 1.011738782 0.765601018 0.815603637 1.21966105 1.023358726 0.985072733 0.882495357 1.000060426 1.200002417 1.179995327 0.916642161 0.999939574 0.861461023 1.113534646 2.095805621 1.808638519 1.227957557 1.510296612 0.86833953 0.717745542 0.810048462 0.922608233 0.698008355 0.60062964 0.54074735 0.629599939 0.680367955 0.773418145 N2,N2-dimethylguanosine 1.034292481 0.965568046 1.261657998 1.287480696 0.698470621 1.437203145 1.549757445 1.185823002 1.026040782 0.995437982 0.846970784 1.147977776 1.342724481 0.861871518 0.744991036 0.910301438 0.723862221 0.82220047 0.715217463 0.728629645 1.857225816 1.004562018 1.030032231 1.33003502 1.430599757 1.28405728 1.50000634 1.180408933 0.888891143 1.20029771 0.754457414 0.756846197 1.070342316 1.033734591 0.754924013 0.669049533 0.425558461 0.671248127 0.688945918 0.718465904 N4-acetylcytidine 0.856783442 0.895224164 2.103327726 1.946980667 1.161949341 2.646753943 2.019717692 2.053526415 1.578166216 2.318125747 0.854160267 0.663682684 0.657880494 0.413769229 0.511060728 1.00170165 1.409883225 0.99829835 4.581428119 1.191711158 0.727916331 0.829371755 0.488739365 0.637889758 0.594153929 1.155142739 2.343606621 1.543548112 1.456427509 1.562446671 0.56858529 0.510612155 0.450093859 0.494687828 0.43132207 1.175757576 2.914805334 0.850025598 1.012360126 0.549364928 N6-carbamoylthreonyladenosine 0.970187794 1.139469953 1.847118108 2.25710447 0.910549846 2.141476836 2.308132786 1.646131926 1.193753955 1.603124376 0.883786885 1.036729693 0.86923444 0.716968489 0.812628815 1.058937401 1.0043082 0.9956918 1.642910083 0.967561586 1.380783328 1.085240098 0.968123378 0.987935008 0.959662654 1.040059834 1.910350172 1.471604119 0.943431602 1.344727108 0.800519827 0.802875292 0.853436577 1.130345908 0.85085098 1.135503565 0.904661182 0.83960837 0.810726844 0.678387589 orotidine 1.005320545 1.067726191 1.391433516 1.386738449 0.986373174 1.435960484 1.428215964 1.137506216 1.094501542 1.520575347 1.127221607 0.838975413 0.95057596 0.946762084 1.098980662 0.918594306 0.857619448 0.810393144 1.084149379 0.917315466 1.094761464 0.881279663 0.99459375 0.94480434 0.994679455 0.962180202 1.539029072 1.007872797 0.925412163 1.26348538 1.050595842 0.98327544 0.961399126 1.103713154 0.865099929 1.017558032 0.69920952 1.078002941 0.883753695 0.927501084 phenylacetylglutamine 3.605410448 4.657756889 3.280711825 2.859267365 4.643871986 0.409066447 1.734392939 0.472266073 0.651657577 1.379484788 1.067056544 0.814580941 0.718821757 1.043484501 1.29665973 0.845203071 0.884812715 0.720490098 0.658833238 0.519248708 0.570464983 0.59312213 0.749085103 1.376399254 0.957358639 2.391880741 1.432118255 1.843229765 0.978580654 1.323119977 0.745497273 0.980876866 1.007032147 1 1.389297503 taurocyamine 1.256826878 1.318647098 2.122951383 2.11906297 1.326012926 0.812048983 1.456964911 1.379135731 0.827466372 2.592812308 1.16300314 1.489450327 1.11856224 1.151775487 0.797476852 0.684692948 0.758637039 0.243547562 0.302182829 0.942864708 0.308718907 0.940374351 0.534939214 1.149138899 0.537124923 0.841194352 0.983295335 1 1.040148136 1.635114027 0.763094866 4-hydroxyhippurate 2.621309032 2.739751414 2.695296348 3.555246433 2.46779499 1.905241585 0.853459257 2.344126579 3.170932637 2.918784621 1.09638394 0.911703104 1.155861021 1.069007032 1.584873374 0.587209079 0.561716969 0.489253724 0.687511414 1.014832634 0.765128543 1.047778261 0.834820956 0.843577598 0.678191136 0.31035128 0.719936242 1.022746078 0.985167366 0.646471979 0.727254486 1.101564878 1.026353345 1.108982322 1.250849399 0.437732922 0.370168798 0.477142322 0.494028845 0.70026536 5,6-dihydrouridine 1.099914924 1.218411966 2.375721476 2.112164515 1.398409008 2.25183321 2.231141286 1.643005181 1.072028967 1.657565262 0.998793748 1.015747221 0.877340444 0.794122643 0.815572865 0.921112428 0.741433135 0.875563915 1.977443629 0.767562632 1.054747711 0.984210731 0.893351659 0.918481082 1.001206252 1.263605937 1.990549231 1.527644539 1.184740106 1.760386995 0.728719822 0.742194777 0.725554753 0.917725652 0.708567355 0.988243518 1.024131499 0.678804527 0.928806259 0.714208001 3-(3-amino-3-carboxypropyl)uridine* 0.795118223 1.429170237 2.555244205 2.108612584 1.113823209 2.061971701 2.233783377 1.695745814 0.928209166 1.610036822 0.986591325 1.166601051 0.951182233 0.725712698 1 0.830782057 0.676524397 0.802922582 1.390982145 0.607998888 1.437530395 1.096686042 0.933026099 1.094486001 0.985641833 1.23818346 1.978671175 1.483129154 1.012042333 1.945068433 0.732150714 0.833769482 0.984669183 0.645723814 0.563720155 0.766610315 0.745119381 1-pentadecanoylglycerol (15:0) 1.488633143 1.206026754 1.569584099 1.695749164 1.676832638 0.795971293 2.434896464 3.08056148 1.16603258 1.770544491 0.671226392 0.526087803 0.622027273 0.741979712 0.592186404 1.314861696 3.899613215 2.188579471 2.246084257 1.348073279 0.6448069 0.75247183 0.899369396 0.643456398 1.099557168 0.879374684 0.693649791 0.88476561 0.794095156 0.602692771 0.990696894 0.667518449 0.577487623 1.009303106 0.558596428 1.826372628 4.23700597 1.860695643 1.796219861 0.666139448 1-arachidonylglycerol (20:4) 0.631051805 0.749883399 0.920110583 0.724048566 1.033446997 0.169835256 0.797755318 0.810237787 0.658400129 0.612155361 0.595857756 0.763456842 0.992620271 1.208544281 0.944534739 1.050474544 2.748568275 2.25193762 2.419121657 1.65060842 1.383971803 1.007379729 1.140423248 0.863890009 0.424206289 1.569982411 1.092711537 1.303368506 0.943239566 0.715960891 0.92353062 1.016081743 0.610952363 1.219465993 0.437154448 2.483622546 6.875192089 1.893367697 2.616037097 1.082531838 1-linolenoylglycerol (18:3) 1.404961895 1.39951407 1.12203473 0.952950164 1.253983265 0.12848926 1.956504807 2.781386029 1.20521933 1.951773311 0.321415828 1.040516642 0.959483358 0.452371449 0.610069735 1.636862319 9.00073478 5.219858222 1.232332591 2.171791386 0.908618607 0.701307591 0.367691261 0.631363023 0.181445503 1.169467786 0.379152126 0.884396298 0.481676814 0.219970294 0.830271554 0.792166305 1.098870987 0.896827547 0.208985298 1.413430807 2.754075817 2.604031833 1.471022984 0.777000266 cysteine-glutathione disulfide 1.121382609 1.361483182 0.751810282 1.022141532 1.206387929 0.852765054 0.808176035 0.852289169 0.862690993 1.158820084 1.208431326 0.827938614 0.72330932 0.78122264 1.249576883 1.401322882 1.086354525 0.867903084 0.348295873 1.310824812 0.627243053 1.077386356 0.839478217 0.824990576 0.585915135 0.862009111 1.029299972 0.986840046 1.33916732 0.735780036 1.172393652 1.000654876 0.914796449 1.051786478 1.0645687 0.999345124 0.82106442 1.021089229 1.33561898 1.143915304 1-palmitoyl-GPA (16:0) 1.43542288 1.608891151 1.647620029 1.205149678 2.123343619 2.847732119 2.940888857 0.62989184 2.686632353 0.54270677 1.444312743 0.823716607 0.920867341 0.386039051 1.079132659 0.423537521 0.526962695 1.575502632 0.349345822 1.320634144 0.511263713 2.335006088 0.705404134 0.815271237 0.700411639 0.878737124 1.536226189 0.595685196 5-methyluridine (ribothymidine) 1.147527308 1.393601551 1.643395822 0.679626644 0.714504729 1.945383219 1.226944278 1.148338951 1.953916739 1.675748797 1.440011724 0.822272825 0.389971705 0.532414975 1 0.903211625 0.615191243 1.566177051 1.404130359 1.180996291 1.092538525 0.909389126 1.390366254 0.571644365 0.46019006 0.542526688 0.815655683 1.666922184 1.192765108 0.377639247 0.65219989 0.586952846 0.531693515 valerylglycine 1.547459471 1.816412105 0.876676496 0.495869057 0.727563329 1.16490297 2.436578397 1.830552048 2.322835469 1.175734203 0.513088738 0.855117727 0.956761084 0.302371812 0.891554905 1.39238463 1.080576998 0.720634817 0.301482296 2.397870677 0.947569821 1.860279496 0.502048314 0.627304597 0.539342639 0.452906166 0.849810004 0.616841398 1.043238916 0.40078438 1.605179691 2.341644771 2.019101811 1.894895684 1.333230635 0.8159137 1.256566247 0.956464978 1.572536142 1.082449537 isovalerylglycine 0.803558155 0.951077291 0.99678373 0.826341676 0.920748463 0.604679509 1.41923945 0.94770643 1.206357873 1.00321627 1.140080908 0.779382831 0.33197859 0.503999114 0.578436135 2.413919195 5.416375773 1.737370907 1.669386926 2.409326797 0.312785638 1.015701987 0.430708385 0.559391021 0.413690805 1.165056441 1.751818558 1.21103661 1.559661616 1.244524069 0.529552013 0.679058648 0.994898488 0.81912798 0.498904356 7.041371613 8.064722852 2.152804662 3.266801128 1.547782689 3-hydroxydodecanedioate* 0.633578461 0.57327826 0.719103026 0.37332785 1.683519195 1.574892958 0.943292049 0.989749389 1.21874622 0.309677302 1.615593024 1.06726094 1.304240548 0.650529766 2.637624277 0.934353758 1.058213793 2.199889934 1 1.099839135 0.51540313 1.010123612 1.094680568 0.209590217 0.390388011 0.529336704 1.535432642 4.179086335 1.432781393 0.969121169 0.378341276 7-methylguanine 1.12717979 1.387480564 1.892278338 1.780851453 0.987183821 2.240760317 2.806090682 1.895273418 1.412999511 1.837189663 0.814459908 0.96723996 0.876979071 0.676663884 0.7671077 1.23781027 1.155915309 0.908708149 1.656093225 0.972788661 1.032858226 0.965672776 0.912061979 0.935090988 0.862397939 1.085182192 1.887020139 1.40841492 1.095133572 1.21415662 0.729053815 0.703312361 0.75064757 0.879989375 0.656867938 1.128215446 0.789309352 0.776817799 1.012816179 0.870636503 1-stearoyl-GPE (18:0) 0.70276952 0.911797737 0.979472872 1.004772532 0.953106618 0.989829239 0.851482766 0.833444511 1.046313957 0.857738362 0.990003568 0.953314956 0.902764682 0.971118827 0.83687376 1.755682591 1.756049967 1.676283012 1.651971141 1.566259146 0.759202843 0.958443775 0.86935345 0.841499231 0.987424613 1.184211649 1.260304152 1.320792912 1.225118987 1.253375352 1.535117235 0.75370411 0.995227468 1.22345425 1.086165551 1.414786207 2.156076996 1.207804061 1.925034114 1.215370311 1-stearoyl-GPG (18:0) 0.432230009 0.539511505 0.376220497 0.443038537 0.431948498 0.435619249 0.362537596 0.272976457 0.615089713 0.38581038 0.896244796 0.904071533 0.936911976 0.999703673 1.045489903 1.326133821 2.759389863 3.395963285 1.114400753 1.842276236 0.803890774 0.649071015 0.80398708 0.999640703 2.681029885 1.036407479 1.020398412 1.129517135 1.266238721 0.971937831 9.837527595 1.122090439 2.872938675 5.004819018 2.058280118 1.000296327 1.358077875 1.358937223 1.609148356 0.81115449 3-methylcytidine 0.884107135 0.924432848 1.892543837 2.085129028 1.121634188 1.624870112 1.434302256 1.41284629 1.247345031 1.393968147 0.904169229 1.123997892 0.986861081 0.981768412 0.906896096 1.120670654 0.845603532 0.953588695 0.639973886 0.834049512 1.016482951 1.189113107 1.028421126 1.133314161 0.97106247 1.237464077 1.607990411 1.455122163 1.013138919 1.457832236 0.815433769 0.760665532 0.977819809 1.234644846 0.775095461 0.650005983 0.4112362 0.732021891 0.905903172 0.905663863 N1-Methyl-2-pyridone-5-carboxamide 1.340089905 2.429331126 2.226654904 1.230524399 0.855159289 1.59249248 2.627897289 2.572696163 0.628417982 1.071734133 1.207111885 1.384389232 0.75580663 1.006225571 0.535236324 1.121760168 1.108829261 0.898874713 1.375486074 0.640385267 1.197200994 1.220736291 0.592981339 0.843408011 0.4074816 1.906211701 1.363642027 2.375448785 0.728760184 0.971707075 0.174111355 0.200305594 0.35095032 0.248100155 0.112918401 0.993774429 0.910543225 1.056506722 0.951023081 0.70042815 N1-Methyl-4-pyridone-3-carboxamide 0.741735238 1.223945349 2.00770748 1.719677612 0.617169078 1.439114627 1.965532305 1.470400122 0.47355183 1.260502733 0.982625619 1.386341985 1.01742837 1.181071783 0.526189033 1.538539203 0.796469302 1.027794863 1.836017075 0.452218132 0.970526972 1.017374381 0.802419491 0.808134899 0.56578929 2.073799518 1.748478164 1.451694075 0.647268735 1.435407168 0.17073684 0.154168867 0.225470284 0.207046603 0.10383032 0.777463127 0.739233101 0.758818569 1.511313324 1.04267893 mead acid (20:3n9) 0.880084154 0.590088961 0.710856438 3.77362124 0.561660899 0.589808036 1.00669072 0.518718175 0.997071555 0.880011995 0.952277537 0.960197343 0.97085958 0.845018111 1.454215649 1.467858975 2.055679015 1.109907326 1.836289989 1.825657453 0.881283825 0.896604995 0.86705342 1.124909682 1.587527119 1.160204292 0.875041482 0.941114184 0.52042572 1.875191512 1 1.1338361 1.111617918 0.557722987 2.040315197 2.417595042 2.973504529 2.277910905 2.109343189 1-docosahexaenoylglycerol (22:6) 0.694432773 1.034352968 1.203789365 1.081020026 1.742383931 0.382830672 1.109253106 1.133532049 0.758816377 0.965647032 0.644999043 0.617968412 0.826085308 0.776272678 0.70077254 2.629691981 8.700850216 5.904989428 3.233739878 4.04800284 0.85023734 0.82280732 0.739383314 0.677750479 0.348768224 1.750883947 1.060499499 1.579881186 1.198863973 0.942018548 0.696415039 0.635732665 0.441576345 0.768550034 0.386982973 3.761668982 11.13193633 2.575584848 3.877564607 1.470621964 1-dihomo-linoleoylglycerol (20:2) 0.956091984 0.796335751 0.717282138 0.712552137 0.915176794 1.308551691 1.647199252 1.483228454 0.968570972 0.920617942 1.00405664 0.836851768 1.166025762 0.447706938 0.703867227 1.468156782 5.457580646 1.820976907 1.0350739 2.652966908 1.090357366 1.138248388 0.689582274 0.87282962 0.539840234 1.573522843 1.098761305 0.956514409 1.290373837 0.625710784 0.634725109 0.970590088 0.99594336 0.993728534 0.358978234 3.799809133 2.35676147 2.363801247 1.452968846 1.461923101 gamma-glutamylisoleucine* 0.781397042 0.887703768 1.234474017 1.37432614 0.934022543 0.988136523 0.929709807 1.097992391 1.120065225 1.301327185 0.931680904 0.777005668 0.544307718 1.111965152 0.911171015 1.503889981 3.999567914 2.814024703 0.944026043 2.508315261 0.354135934 0.577637713 0.61315734 0.619723958 0.81328718 0.747307586 1.274502122 1.231122754 1.124219828 1.440152445 0.528883702 0.763331507 1.011863477 0.751997844 0.777244576 3.125116623 4.170205528 1.332319958 3.071243117 1.411344604 N-glycolylneuraminate 1.343181845 3.258947786 3.24423769 1.664375891 1.792419962 1.521083877 1.581976297 2.887684078 1.5249796 6.727925057 1.655481502 0.859740345 1.260205417 0.965189809 0.804103148 0.999098907 2.509835831 1.62320439 1.271565183 0.810363638 0.870168625 0.860457614 0.806729502 0.9651307 1.717701142 0.706759958 1.496908427 0.522015992 0.60511986 1.000901093 1.053968949 0.981000752 1.726789625 0.949067812 0.914041518 0.269666369 0.324422805 0.893868271 0.743652158 0.485670442 pantetheine 0.527736481 0.285130462 0.476526672 0.621555775 0.982489102 1.211746586 0.15768155 0.489522439 0.419477272 0.614114549 1.582485007 0.525465529 1.122259739 0.65705318 1.389811583 1.202532064 0.69936974 0.694108124 1.477703094 1.379767109 0.718509046 0.745935279 1.30154683 0.613835799 3.225441591 0.500277176 1.045489908 0.423524669 1.087776546 1.156661039 1.550672781 1.094842955 0.436413345 1.353222799 1.491897332 1.51313278 2.141520309 0.879121416 1.075991849 1.017510898 oleoylcarnitine (C18:1) 0.54807956 0.663000034 0.699438197 0.542010839 0.443902071 0.884942092 0.914227942 0.714524009 0.584379847 0.633126997 0.709456641 0.840170313 0.896326791 0.486889523 0.737385978 1.947248914 3.156185877 1.980172027 11.25351497 2.215166143 1.146017524 1.202699979 0.912678229 0.928438747 1.04052874 2.170053668 2.821966305 2.031216458 2.631688071 2.239296881 1.079099913 0.869179127 0.95947126 1.227016953 0.922852643 3.346884215 4.392917879 1.68260257 2.838248162 1.359152222 dihydrobiopterin 0.961256819 1.114372125 1.090313232 0.843237934 0.799010026 0.868638835 1.375635752 1.301630831 1.355466737 0.827133841 0.698728983 1.001235036 0.712275481 0.830070699 0.816183836 1.509126625 2.376073363 1.727222336 0.998764964 1.805768688 0.938452412 1.076329123 0.541976641 0.76949558 0.438058562 0.926033978 1.761035096 1.980404742 1.293442639 1.354260875 0.632853906 0.980531163 0.816854839 0.84542599 0.76837724 1.571666132 1.685425601 1.026470617 1.302165689 1.268440451 4-hydroxybutyrate (GHB) 3.25322122 0.387629648 0.294604542 0.394041028 0.779044762 0.406104724 0.313043762 0.617753487 1.49580571 1.464364445 0.955272104 0.95038996 2.057909229 1.2550911 1.230160454 0.755903696 0.32295779 1.044727896 2.233142919 1.131625198 1.48942135 0.817834494 0.945755535 0.935471571 0.870845923 0.558589507 0.607123071 0.814856321 1.919771897 1.867053639 2.329827234 0.876877772 1.968505707 1.400296353 1.321798489 2.943586423 1.154366531 3.16504442 2-methylbutyrylcarnitine (C5) 0.715327705 0.533587265 1.463579434 1.156852717 0.617376268 2.393666811 2.397962545 2.116685794 1.430628606 2.903270616 0.821747096 0.473968492 0.733576372 0.436830648 0.573752044 1.182894089 1.517588213 0.441660748 2.153449239 1.304753505 0.416625924 0.472906192 0.447711186 0.438301228 1.301438373 0.632319452 1.169940199 0.553358619 1.229599928 0.979636811 0.446797702 0.444913266 1.013680603 0.768472963 0.986319397 7.306506708 5.093323975 1.393103496 1.913166693 1.14387331 phenol sulfate 0.809531826 0.566686443 4.395718994 2.743720397 0.404899738 2.005975372 4.465931636 3.116872122 2.629712932 2.337717952 0.611427328 1.297435672 1.149856172 0.621348189 0.792944044 0.423686223 0.95616109 1.676583177 2.203973881 1.116251862 0.868154847 0.465971692 0.360317836 0.444855568 0.326028291 1.04383891 1.327616262 3.430915561 1.397622423 1.269966167 0.301950118 1.411555665 0.492093927 0.58254744 0.110304087 1.860993613 1.244243533 0.631186486 0.754729588 0.604579099 1-palmitoleoyl-GPC (16:1)* 1.337880179 1.589248448 1.748595603 1.459532691 1.640738477 1.223699711 0.970332065 1.033772435 0.995903577 1.016309813 1.084814682 0.966534805 0.667155587 1.149453398 1.005327655 0.692998271 0.80916872 0.786507969 0.967021412 0.710151016 0.947318429 1.170623566 1.046552538 1.061656988 0.807121729 0.87741751 0.905708716 0.800078554 0.904407774 0.69196735 1.444668498 1.026190553 1.055774305 1.158430937 0.953649591 0.830320794 0.735962846 1.004096423 0.914928118 1.173141949 malonylcarnitine 1.242221602 0.963727473 1.051884891 1.412314982 1.558339185 1.152245385 0.788458694 0.94955083 0.908042258 1.547004895 1.463403256 0.731931036 1.641747639 0.74377628 1.152866653 0.755010684 0.683880496 0.727437823 1.039822862 1.284975453 0.924552497 1.038712593 1.01454408 1.003492434 1.987185535 0.636369449 1.139162546 0.620043066 0.937190241 0.795162017 1.121380685 0.996507566 1.172399808 1.247915091 0.732735062 0.798282623 0.829186839 1.219388924 0.828993105 0.799571808 hexanoylglycine 1.349742019 1.332999365 1.457924367 0.574558691 0.423805989 0.247071759 1.696829695 0.443663959 0.793017727 0.361582275 0.487444273 1.039226705 0.582929846 0.226971613 0.639389703 2.65517675 1.083267117 1.155852585 0.315201212 2.306056082 1.876247506 3.17067403 0.87573047 1.019729127 0.573406976 1.282012248 1.19928974 1.452890829 1.021592205 0.410020915 2.157959964 1.827873087 0.935994374 2.460963572 0.741253992 0.369142117 0.937462939 0.840365426 1.856729594 0.980270873 3-ureidoisobutyrate 0.367793721 0.2704164 0.439741621 0.817062537 0.845070644 1.722389596 0.91149391 0.780650622 1.159061539 1.877564448 0.417067643 0.76950512 1.854045965 0.366511252 0.888816004 1.252442191 1.329413914 0.871570426 0.388189499 1.309073126 0.949524131 0.894800206 0.428126731 0.384436362 1.403041004 0.678302506 1.521026211 2.077122948 1.454054999 1.473851768 1.809636784 1.126259393 2.740813553 1.339844533 2.955914874 1.050475869 0.446389643 0.46063821 1.519127057 1.28157565 glutamine_degradant* 2.438083723 2.291823061 2.973308873 3.183125376 2.146887471 4.942481667 6.26427554 6.05240737 9.79924563 3.805489733 0.684470734 0.952699493 0.745636152 0.658915108 0.826311425 1.198022645 0.74078 0.830794897 3.685166077 1.03961278 1.240379577 0.818327319 0.744901603 0.806432369 0.733954446 1.110017289 1.109165058 1.183388079 0.806768391 1.137632412 0.800878949 0.753803802 0.491732407 0.731282556 0.72524623 0.96038722 0.731775404 1.282592856 1.070860635 0.718645353 2-hydroxy-3-methylvalerate 0.641066584 0.990202431 1.152735132 0.528786285 0.417778377 0.405948037 2.295288392 1.679526254 0.807618991 1.663511674 0.482482683 0.905592724 0.472937006 1.009797569 0.579239652 1.551173005 3.455366804 2.846499005 6.465517336 2.330703411 0.769199279 0.9738106 0.483205063 1.024280029 0.114089382 2.132618971 1.786953211 2.737508589 1.358501712 1.610939744 0.402874006 0.702363482 0.492259489 0.50705613 0.364255679 3.638754106 2.645027528 1.466490825 2.614903822 0.861669371 ferulate 0.535850133 0.283087244 1.255041401 1.375904817 1.285533156 2.039413601 0.856577769 3.203804339 1.143422231 4.947848434 0.215079097 0.365243863 0.222233933 0.20197843 homostachydrine* 1236.500539 1224.131375 1199.066602 1583.583876 1109.583511 2282.354911 1773.125905 2558.912327 1422.376525 2355.346451 0.921295883 0.784003519 0.506106235 0.525308061 0.602727017 1 0.856969081 0.796291587 0.610073742 1.00171813 0.465407163 0.428371144 0.249273231 1.172355969 1.199378724 1.424062073 0.820077385 4.498299051 0.978310322 0.752039421 0.446006034 1-arachidonoyl-GPC (20:4n6)* 0.631099516 0.779862431 0.808831523 0.864508487 0.894295253 0.532508839 0.589575999 0.533385562 0.725914499 0.608154464 1.110774519 1.008754192 1.075388725 1.317721344 1.269200021 1.246716099 1.266312053 1.406439658 0.957061717 1.298656684 1.27634322 0.90654979 1.141098025 1.12096979 1.00150636 1.138403458 1.072997429 0.948865517 1.066361852 0.860051034 0.992546969 0.99849364 0.787647734 0.922735705 0.66530861 1.22316227 0.915728688 1.284014123 1.733505556 1.440107522 2-palmitoleoyl-GPC (16:1)* 1.555209887 1.751439918 1.900055423 1.807680177 1.537018381 0.377211167 1.03479688 0.897216923 1.352929289 1.735572492 0.678771882 1.066075491 0.656146561 1.166552861 0.961498066 0.464622865 1.556379581 1.551079212 0.986689366 0.922546015 1.013310634 0.750579489 0.731558174 1.148355232 0.513226428 0.739550066 0.731435693 0.920102517 0.695799817 0.683514963 1.655644388 1.041202642 1.437661713 1.227196316 0.762291744 0.95793999 0.751023483 1.923749391 1.274467896 0.902057989 2-palmitoyl-GPC (16:0)* 0.919339469 1.152915909 1.099475714 0.966066768 1.003195921 0.491053207 0.714638447 0.713912248 0.943739595 0.969546923 0.717887204 1.172866786 0.689280187 1.209164663 1.094373002 0.996804079 1.527405727 1.646791911 0.881777771 1.171497547 0.803837173 1.155232605 0.750574368 1.103317458 0.596417334 1.301635054 0.878753124 1.181698565 1.208447955 0.828527027 1.547360304 0.972079594 1.158686547 1.18696816 0.728388034 1.232058722 0.866162026 1.64542883 1.846863468 0.958577449 1-palmitoyl-GPE (16:0) 0.979399129 1.207941463 1.160973417 1.286675904 1.167401989 1.099183335 0.953081963 0.855062793 1.095103972 0.96527571 0.883824436 0.837717659 0.859501739 0.878694726 0.767565712 1.306555846 1.276612757 1.165445984 1.450728299 1.196652621 0.763897422 0.910658664 0.719905962 0.762069178 0.832993896 1.007672582 1.030798315 1.036948089 0.950889387 1.06618184 1.283919149 0.668190266 0.992327418 1.167807325 0.95364506 1.034871236 1.548597043 0.983720048 1.237393775 0.853638098 1-oleoyl-GPE (18:1) 0.672649831 0.735898584 0.855466739 0.909816388 0.770684306 1.094140649 0.794380664 0.747744761 1.01199599 0.90540224 0.951507657 0.909368497 0.98800401 1.129577087 0.96051709 1.629733191 1.875666608 1.84996702 1.467276772 1.335615182 0.913046539 0.646548373 0.801878664 0.810617941 1.144593942 0.816862798 1.034966669 0.768832137 0.883951156 1.044286913 1.503406998 0.824559238 1.428301036 1.288694916 1.303870237 1.358972769 1.795286762 1.183391489 1.151556769 1.22945028 1-linoleoyl-GPE (18:2)* 0.579331543 0.656552747 0.560444827 0.765056667 0.77758533 1.429719838 0.817585205 1.051784486 1.465895323 1.203460491 1.151587454 0.986839618 0.975655743 1.085626635 1.004553008 1.931771246 2.435219902 1.990506446 1.600467595 1.620978743 0.679645406 0.554424833 0.828488977 0.755534479 0.995446992 0.727660123 0.945309804 0.82089615 0.937255905 1.007980151 0.773982285 0.940022194 1.266328016 0.709271905 1.028490269 1.612825253 2.035915914 1.351163523 1.22353296 1.133949859 1-arachidonoyl-GPE (20:4n6)* 0.616284806 0.682700516 0.889977985 1.026641462 0.934184133 1.024449775 0.764047256 0.763491446 0.933613463 0.816863899 1.299453968 1.001604443 1.023339564 0.998895145 1.042755059 1.921543371 1.987714976 1.954897549 1.298862219 1.909572232 0.948155858 0.821432179 0.937046093 0.902720889 0.921982524 1.049409918 1.096205265 1.001104855 1.104577609 0.922162088 0.620350068 0.805533792 0.810128708 0.711579559 0.459356157 1.52695397 1.677498075 1.532519141 1.854077711 1.487377454 N-acetylcitrulline 0.771592463 0.746459029 0.722391519 0.861377568 0.760389956 1.40329972 1.356275321 1.911521511 1.584850483 1.345538725 0.733662795 0.613081111 1.163932947 0.573476912 0.836039546 1.77886395 2.411967221 1.614141016 3.955052432 2.366522796 1.019355959 0.595185638 0.494622676 0.488619122 0.883191167 0.975656553 2.355390777 1.250946651 1.413793904 1.290825927 0.528290371 0.711496754 0.906416255 0.502080699 0.540491752 2.917018751 5.58736056 1.566851856 1.73970847 0.980644041 2-hydroxypalmitate 1.344562975 1.23629599 2.040088338 1.214635134 1.1802237 2.318315117 2.314392682 1.579057862 1.714202288 1.190443875 0.955888666 0.945428445 0.801276449 0.902284621 0.825566864 0.779859487 0.962633643 1.019083169 0.891820849 0.985763932 1.526009625 1.159054925 1.037957741 0.878697031 1.14010088 1.025572561 0.719998106 0.948733448 0.779190554 0.960774986 0.955244299 0.863174673 1.270602051 1.014236068 1.107598275 0.828870979 0.707659248 1.042954169 0.80837676 0.544922749 docosapentaenoate (n6 DPA; 22:5n6) 0.529403959 0.444200807 0.349024157 0.983605166 0.302978798 0.453307854 0.593240794 0.479957746 0.607895114 0.650281576 1.101264675 1.016394834 1.519906755 0.764002338 1.182095155 1.151070385 1.573177805 1.087425832 0.85257559 1.330475292 2.117971728 0.878624747 0.810739293 0.723047527 1.613017937 1.41074545 1.143029993 0.888370209 0.918071429 0.790484736 2.040993268 0.801933405 1.038095424 1.364826301 0.592008602 1.497921749 1.198951964 1.9976412 2.443247751 1.80171885 gulonate* 0.784743102 1.161685317 1.170146874 1.405355393 0.928058957 0.83458989 0.758206078 0.686676672 0.823385869 0.798547957 0.838471273 0.869940563 0.93001552 0.574613752 1.08274025 1.597577739 1.590534457 0.967564715 1.253198364 1.341221485 0.59452909 1.032435285 0.523324625 0.559272549 0.597779161 0.673942128 1.104756731 0.915884402 1.090042871 1.250246466 0.955739425 0.695501381 1.352935431 1.147279593 1.297160523 1.289371962 2.3907329 1.184611154 2.037869363 1.118106043 isobutyrylglycine 0.706749523 0.319717815 0.662056287 0.578664142 1.98853506 0.611964163 0.313215332 0.695880701 0.792558615 0.668974901 1.544085955 2.187913637 1.085766464 2.888333896 2.7755033 0.871425411 1 0.323723507 0.3758381 0.445431583 0.73500386 1.299488395 1.170135673 1.564797141 0.858334512 0.968832063 1.52258175 1.389689539 1.683088876 1.550317783 3.199886731 1.350946649 1.426221854 phenylpropionylglycine 29.14865607 35.87306235 11.14001878 15.59974269 10.02831114 14.96616016 40.81918704 14.46174763 31.08720053 24.82744184 0.5275705 0.794179213 0.444479989 0.365436907 0.567773567 0.766980771 0.515977607 1.585256789 1.413602698 1.310358496 2.326068361 1.139365068 1.045210195 1.214930978 0.329928023 1.71992072 0.552884314 0.866372266 0.389950972 0.805257485 1.368517681 0.813818283 1 0.719280921 0.961159985 0.579971487 0.519329601 0.484418791 0.758246114 glutarylcarnitine (C5-DC) 0.395788552 0.225944032 0.969542127 0.787221389 0.870481434 0.779082616 0.998424408 0.7694155 1.597395643 1.43799879 0.994708758 1.753100785 0.524529086 1.321944889 1.15123603 1.5421296 1.090152708 1 0.672183023 1.202269205 0.723512291 1.793499817 1.16323031 1.134888556 1.119070268 0.816493631 0.663874154 1.090449431 0.940561568 1.025539582 2.152655386 2.636194514 1.868456033 0.979763 0.77108118 beta-hydroxyisovaleroylcarnitine 1.135369412 0.857964713 0.790885122 0.937824091 1.118412059 1.65313177 1.340886154 1.586378922 1.258483127 2.382240256 1.002311714 0.793916748 0.935214423 0.6651654 0.93309263 0.8828412 0.997688286 0.613214746 1.314282163 1.044925179 0.980002679 0.978318714 0.671558854 0.651980643 1.275003771 0.661535322 1.169038348 0.589410446 1.013049564 0.807851223 0.883857032 0.822323114 1.05293841 1.209657178 1.118610119 1.285458112 1.448076761 1.046161247 1.211714476 0.900125092 tiglylcarnitine (C5:1-DC) 0.463432199 1.220315334 1.562033234 1 1.240152899 1.330578857 3.299272178 0.698697389 0.832999373 0.874083138 0.965779366 2.495595727 1.409078937 0.261204057 1.652337499 1.167689107 0.712572015 1.023284967 0.802901286 1.25053178 0.502142124 1.322208738 0.638629574 0.442799464 0.522489798 hydroquinone sulfate 1.788906084 1.162484734 1.063141233 0.486726717 0.243535309 2.623793588 3.562989123 3.467031732 1.730654427 2.14577023 0.288339528 0.219180015 0.936858767 0.350823821 0.380831448 0.199224898 catechol sulfate 108.9376359 90.59554297 37.23109275 8.216805225 12.25584713 137.4435494 177.2091365 223.5188582 89.84978048 120.9138003 0.971068694 1.564886663 0.603591065 0.79752413 0.662878679 0.402456543 0.925524857 1.161913773 4.040184212 0.627989188 0.864685317 1.160510405 0.981414387 1.493805277 1.500617309 0.587704015 1.084737182 1.428057554 0.579474191 1.018585613 0.106719436 0.77661784 0.539921711 0.525533222 0.485602857 1.067370322 0.905821454 0.806578955 0.44764413 0.465220125 cholesterol sulfate 0.361787154 0.33656232 0.350078389 0.35597275 0.386262199 0.86171696 0.657818869 0.676649941 0.550340836 0.578651931 1.007448457 0.827599229 0.835434406 1.089515138 1.003027137 1.422733865 1.583554365 1.440172472 1.997660227 1.471106316 0.951932731 0.938184837 1.025749878 1.054726406 0.868543023 1.17832215 1.389573411 1.169637772 1.410049742 1.265797954 0.996972863 0.924891038 0.876685856 0.838637406 0.883092955 1.918876708 2.155184364 1.415482171 1.880185513 1.260737051 7-alpha-hydroxy-3-oxo-4-cholestenoate (7-Hoca) 1.472354342 1.035444397 0.738927301 0.776755347 0.821981316 1.962997487 2.323255086 1.47024802 1.483934557 1.843305923 0.788884147 1.532233509 1.803819984 1.056818703 1.214682032 0.506602931 0.752543273 0.787146583 0.26276891 0.655018163 1.336872955 0.964555603 1.314204202 1.403890549 1.560828947 0.864708683 0.792133163 0.802576753 0.946513017 0.902938114 1.07645924 1.087003746 0.949502537 1.164662209 0.816375587 0.736103192 0.825586949 1.401795609 1.2309218 0.850343055 N-acetyl-aspartyl-glutamate (NAAG) 0.975562412 2.36232869 2.198472902 1.140766026 1.929624016 1.6330598 3.396931034 2.168582613 1.510736434 3.83924311 1.004010558 0.701845405 0.862167018 1.207042652 0.680819024 0.809568679 2.364257004 0.891405995 1.935657382 0.881490731 1.293348758 0.729000891 0.995989442 0.838432172 7.037671346 0.86183282 1.874177339 0.859807343 0.705196998 3.223816278 1.05015805 1.022762682 1.010765352 0.934019312 0.546693723 0.488420774 0.377623515 0.990274614 0.497921759 0.689284315 tetradecanedioate (C14-DC) 1.28490802 0.818508608 0.393697592 0.480960781 0.515580581 2.140997396 1.590113164 1.05594449 0.745928521 0.81598564 0.796023879 0.810727269 2.913593714 0.883358674 0.84429086 1.415682264 1.979024993 1.004937332 3.799234278 1.249859769 1.78445212 0.784740936 0.57647195 0.589274163 5.104263983 1.008677626 1.051800807 0.689531711 0.969945173 1.240611671 0.995062668 0.843511532 1.084983685 0.701429284 0.883990013 4.753487878 9.208582865 2.446146447 1.333707283 0.825660996 hexadecanedioate (C16-DC) 0.579475969 0.480319203 0.373275694 0.307192114 0.362541305 1.045153615 1.221550349 0.760744359 0.691281392 0.65220066 0.873591769 0.791486367 2.614333882 0.941867934 0.993445721 1.808228585 2.780210621 1.250909264 3.813738897 1.8493503 1.72757925 0.62406871 0.605184535 0.628447092 2.903597259 0.885990961 0.905573753 0.645155086 1.006554279 1.07945716 1.22972559 1.096251704 1.677042318 0.9121368 1.408883419 3.717593825 5.094103242 2.175773917 1.857803857 0.991583495 octadecanedioate (C18-DC) 0.593366782 0.469099666 0.47176159 0.465184154 0.441248429 0.977966249 1.073557999 0.926308844 0.679445662 0.931187639 0.778426298 0.750503084 1.567152407 0.799315025 0.821147842 1.70747624 2.514925789 1.488279556 4.778990112 1.649277388 1.23629286 0.60346506 0.738628191 0.756883785 1.580049364 1.082154371 1.003701382 0.901950858 0.996298618 1.060417523 1.173728643 1.032343159 1.559271 0.857854566 1.155808939 3.1832823 3.284521792 1.892830859 1.682903525 0.853296066 undecanedioate (C11-DC) 1.046080324 0.700371064 0.851018824 0.944205061 0.765901985 1.826354811 1.073992037 1.811205994 2.980912633 1.858967146 0.804062476 0.508493166 1.756073415 0.490395778 0.824104211 1.195766593 1.503393705 1.341165327 1.294023802 0.896329955 0.767611301 0.668891152 0.843412365 2.324841354 0.647795338 1.150754592 0.513143932 0.951548 1.0710221 1.198957317 0.976439921 1.084945907 1 0.887747762 0.868574929 2.812409638 1.408548007 0.943642411 1.135470454 1-myristoylglycerol (14:0) 0.885094182 0.718163172 0.883312388 0.628816088 1.096694851 0.305362627 0.996750723 1.569258787 0.711200658 1.003249277 0.464888911 1.076638399 1.340078366 0.824567536 0.868805856 2.718994262 14.27263684 6.169787267 4.938026583 2.206215413 0.617271446 0.637153395 0.736932341 0.949191668 0.510190301 1.88128515 1.034352752 1.012099737 1.242981174 0.914605382 0.947937007 0.973752058 1.172246879 0.860033585 0.446398326 4.934311275 9.530696733 4.06163166 2.483738341 1.304834458 glycerophosphoglycerol 0.820875673 0.99552973 1.04562073 1.566234212 1.336519228 1.126196589 0.788628185 1.167333388 1.084606923 2.814614767 1.720703577 0.829190191 1.593975569 1.252911618 1.537224758 1.041543218 1.044567797 1.24178222 0.752692186 1.241700253 0.799103897 0.812690936 0.88478766 0.888346389 2.236486475 0.635129786 0.8583103 0.667247152 1.016834636 0.905614084 1.00804471 1.00447027 0.882472095 1.249222083 0.758668598 0.564911812 0.509266529 0.942957523 0.792814986 0.86771327 glycerophosphoethanolamine 0.999425649 1.24768589 1.106354691 1.402445134 1.26481709 1.000574351 1.016749396 0.88997216 1.197925566 2.057591679 1.59397085 0.731824094 1.249853163 1.184776552 1.101931251 1.201618291 1.08820203 0.991147425 0.931920222 1.438658835 0.821877861 0.767797592 0.930818214 0.929421608 1.559939024 0.609996431 1.002805004 0.65666301 0.715155647 0.857715454 1.159964344 1.029460527 0.928889377 1.124804836 0.823987371 0.53666069 0.580228391 0.930618446 0.868679705 0.795216402 glycerophosphoinositol* 0.692792367 1.09891616 1.347732187 1.554764835 1.069478839 1.160776851 1.455591854 1.08470715 1.042889174 1.908270847 0.896796386 0.935263708 1.05793119 0.951266475 0.876617942 1.014095902 0.922582319 0.806059921 0.724100626 1.036549811 1.090868203 1.094788388 0.847319011 1.01328951 0.883505546 0.975418333 1.38727736 1.184963306 0.880024485 1.026375425 0.908181691 0.83156375 0.986324593 0.926960259 0.736614349 0.683003879 0.750977718 1.057662393 0.98671049 1.269927278 2-(4-hydroxyphenyl)propionate 0.590792646 0.755494701 0.857485742 0.299495399 0.338219547 1.286065943 2.070134596 1.979745933 1.142514258 1.150132829 3-(3-hydroxyphenyl)propionate 1.315735262 1.389904265 1.123569758 0.631143156 0.951126229 1 0.918157792 3.535902779 0.970672543 1.784623246 0.36782683 6-beta-hydroxylithocholate 0.394501784 1.170753792 1.251974347 0.506760437 2.732475967 0.526830696 2.27828082 0.635270009 0.93750851 0.266237303 0.288472536 7.04367392 0.359501375 0.354967185 1.15212004 1.462562294 0.566787397 0.818475804 0.461575121 10.37498979 0.79999183 0.526653686 0.502110509 13.79221699 3.650390785 2.183995534 2.971412816 1.734014597 0.756808093 0.798718717 0.959982027 1.0839506 1.300931347 0.316569538 1 5.233817162 2.1546935 2.25450015 1.671768198 sedoheptulose-7-phosphate 1.604942272 1.206031904 1.223805361 1.707993667 1.908864337 2.135492793 0.616220024 0.745450024 3.613986527 11.18848798 2.270693037 0.472628134 2.506579532 0.947517893 0.997017129 0.927820366 0.809180627 0.832269469 1.140287215 2.312644516 0.512169462 0.444190152 0.928155672 0.812295146 5.559086393 0.548029178 1.303007288 0.367857452 0.775325995 0.811136203 2.482869587 1.002982871 3.017533792 1.920809325 1.344234147 0.723736162 0.423734249 1.40604293 0.654060069 0.473318998 ectoine 0.584957077 0.406739863 0.646654528 1.242959412 0.785041623 1.677442724 0.938552232 2.098632453 1.775265273 1.061447768 1-arachidonoyl-GPI (20:4)* 1.055028585 1.18602231 1.270943122 1.636790863 0.911422371 0.230715884 1.380399467 0.907598126 1.419687753 1.392497494 0.600549887 1.020643978 0.6836583 1.161064091 0.909698817 0.985462254 2.282288792 2.180544865 0.726049818 1.398541716 1.123806255 0.798960997 0.687743666 1.141749168 0.475263384 1.228031393 0.802531788 1.026733975 0.843583202 0.571996974 0.976935808 0.903627198 0.936452635 0.731011449 0.35145183 1.551169107 1.014537746 1.394691539 1.653751191 0.936953793 1-palmitoyl-GPI (16:0) 1.013533842 1.613916816 1.622734096 1.13090761 0.958930431 0.506711905 1.215380396 0.753093192 1.443087575 1.098441826 0.562371288 0.927279207 0.575108635 1.350244204 0.701580508 0.654674357 1.119063651 1.161591544 0.530854729 0.632927586 0.852167287 0.986466158 0.977864015 1.298045057 0.89363264 1.364237878 0.855162764 1.06428616 0.727355736 0.839127764 3.869532515 1.049847434 1.441573414 1.911873191 1.097932727 0.845708289 0.552394575 1.477737561 1.033140751 0.744674981 deoxycarnitine 1.284885305 1.406447072 1.1718248 1.197717719 1.408770037 2.165668299 1.729181276 2.035445752 1.742891354 2.752127922 0.983867666 0.918275 1.542409848 0.731643459 1.100392076 0.648886339 0.510744102 0.448866181 1.340729653 0.792598814 1.370747954 1.012763892 0.919986955 0.884428375 1.591903349 0.679995177 1.170857452 0.619498889 1.232023607 1.006418681 0.852601043 0.820125364 0.83590566 1.225586615 0.993581319 0.721129192 0.605618998 0.815987684 0.516761091 0.837494589 N6-succinyladenosine 1.612726919 2.328015824 1.898194481 1.098117956 0.748699875 0.618875197 1.824573104 1.235823243 0.713674171 3.123413128 0.70407352 1.461808889 2.323003126 1.145310336 1.399704784 0.738039115 0.865736556 0.786224908 0.417630096 1.262834948 1.11360888 1.007373371 0.83728212 0.899235283 0.915747701 0.690593994 1.155581454 0.998587107 1.073282633 0.903616128 1.001412893 1.138500368 1.610378532 1.271782685 0.500100921 0.474468761 0.372624629 0.776719034 0.795769395 0.540651826 1-ribosyl-imidazoleacetate* 1.386439327 1.527411126 1.885710166 1.61765367 1.529622952 1.832850299 2.037465963 2.042139264 1.550349394 1.274785204 0.845661943 0.824565482 0.892975671 0.698706446 1.458749009 0.617706086 0.230183221 0.352750208 4.227593089 0.488268683 0.579101476 0.650331142 0.544041878 0.524261822 0.428436467 1.247636675 2.12863832 1.235095398 1.638091929 1.481374233 0.991164505 1.045007843 1.008835495 0.762031259 0.763020738 0.68154014 0.199524072 0.734106229 0.347568286 1.116260506 4-hydroxycinnamate 0.765258341 0.398210216 8.459103372 3.016017252 2.157018926 2.778535947 0.550608909 3.372006641 4.89734893 10.60984403 1.344534505 0.473580547 0.603507905 1.252047502 1.39490083 0.375948082 0.524443168 0.998560072 0.545363298 0.416023484 1.336711712 1.183976961 1.375687694 1.945609889 0.361862604 0.520221308 1.987870776 0.629818306 0.590989211 1.080048428 0.642029876 0.559575633 0.945322793 1.122460652 0.713049265 1 0.271287345 1.686899103 1.250863512 N2-acetyllysine 1.582593763 1.832706771 1.958058574 2.326490745 1.876383642 3.07645724 2.788450661 3.753171616 3.635420334 3.686565978 0.965961207 0.724516336 0.837615535 0.684732857 0.919862891 1.034038793 1.223883716 0.850872152 2.096330807 1.230721005 0.747599567 0.785629428 0.612393891 0.521964505 0.764245297 0.611135467 1.343034257 0.746095817 0.941406028 1.06756195 0.791067457 0.825767264 1.127516565 0.854211293 0.853143676 1.624989494 0.651250588 1.099236086 0.901031954 1.164288002 3,4-dihydroxybutyrate 0.746049261 0.977166741 1.100587416 0.92479182 0.712482795 1.281799185 1.433219852 1.444911088 0.957201689 1.1233251 0.655506182 0.915067102 0.759199023 0.603830819 0.674962162 1.51160082 1.584552524 1.388462686 1.661521035 1.28613673 0.830046418 1.062983347 0.837308884 0.841342345 0.549261604 1.310381659 1.314507753 1.635109074 1.055935479 1.136333011 0.804710764 0.790243084 0.655371208 0.782264736 0.699156466 1.467292488 1.399238026 0.878874661 1.514944251 1.022833259 N6-acetyllysine 1.387562223 1.260890719 1.506726157 2.0273819 1.568209718 1.83949679 1.521451052 2.010541476 1.941137472 2.488135877 1.022833689 0.989477492 0.853855129 0.825615724 0.936040529 0.985547265 1.311749877 1.095597132 0.869777177 0.984228368 0.839263446 0.776470692 0.859593877 0.780204187 0.950414306 0.803870236 1.655091981 1.217715572 1.025630281 1.425500597 0.606901936 0.635406002 0.842798445 0.718692395 0.721879804 1.003828332 0.998294255 0.715661136 1.097970265 1.001705745 dihomo-linolenate (20:3n3 or n6) 1.177872731 0.919679323 0.817132938 3.465072672 0.814766869 0.823327846 1.441753685 1.069274433 1.695708488 1.680563593 0.759190557 0.678771776 0.619114441 0.597109144 1.00636952 1.735076448 3.537352754 2.259890128 0.99363048 2.257623692 0.933382344 0.669640513 0.835108731 0.687695563 0.899111182 1.192530364 0.909297763 0.841251825 0.753674521 0.465769802 2.761546792 0.85047567 1.075995418 1.218944999 0.550931246 1.818055708 1.67624409 2.028932945 2.520854204 1.476556714 mannitol/sorbitol 0.674766338 0.616695238 0.686255368 0.632240668 0.741278215 1.153360703 1.2310653 1.365242028 1.239810636 1.658011652 1.136443227 0.967001819 1.029115948 0.780635551 0.970661587 1.395120572 1.047102376 1.000935299 5.74979543 1.187186144 0.960642531 0.796443296 0.999064701 0.982380467 1.032266653 1.372023761 1.033054994 1.411500845 1.350285626 0.954928019 0.914872885 0.97503319 0.777675378 1.033461473 0.810553345 1.746420996 0.7255354 0.904738671 1.248320533 0.934294693 4-vinylphenol sulfate 0.72843511 0.894577392 1.376392329 0.872377317 0.757985169 4.033322962 3.690301619 4.703233687 2.628695977 3.615863617 0.972718033 0.898928038 0.383376104 1.195827642 1.539812274 3.182804718 4.807529974 4.003372025 12.7189102 4.393181083 0.573479056 0.940423349 0.759274852 0.765997503 0.60840283 0.822834688 1.333841801 1.080082701 1.027281967 1.322968482 0.338153689 0.50874682 0.562108183 0.400922153 0.514617429 1.739223575 2.3614681 1.058437453 0.589872422 0.755720523 4-ethylphenylsulfate 1.036690889 1.924439773 11.61763631 2.265131088 1.586879027 3.471108877 1.999238304 3.415101382 3.40120805 3.525882425 0.599622199 0.23950764 0.963309111 0.516559268 1.969905397 3.772245327 5.203258535 44.44806758 6.200386941 0.238685008 0.248587054 0.27884923 0.548085858 0.379316911 0.198185641 0.803055924 0.25170239 0.182616578 0.477476654 1.162165044 1.989930381 0.58424356 0.473546303 0.29783069 3-methyladipate 0.992669686 0.747679628 0.881027811 0.626153998 2.598808669 2.947153264 3.718564628 1.19377274 1.781323994 1.927154749 0.653231196 0.70309548 0.770730721 1.007330314 0.465344983 1.258611159 1.203173857 0.436625993 pyrraline 2.963072383 2.115837984 2.061690492 6.014559975 4.669358547 8.231288894 3.607707755 8.722745123 7.82630919 11.83501011 0.451958037 0.647665805 0.307615453 0.423294637 0.538702538 1.058289525 0.260845544 0.912706316 1.044407759 0.609669597 0.367952836 0.623376022 0.433050912 0.698114581 0.575845196 0.636205739 1.226243685 2.387885545 0.488783096 2.767649131 1 N6-carboxymethyllysine 1.896515564 2.626120169 1.873552953 1.769175572 1.463511723 3.99668217 4.156134518 3.939511814 3.352005388 6.155905965 1.210085925 0.462765592 1.007243707 0.8352276 0.909504527 0.712546284 1.3801606 0.798477201 1.569714037 0.992756293 0.568703483 0.512746681 0.724639922 0.68053138 1.363528277 0.5593801 1.279654974 0.460294361 0.887226623 0.797134134 1.0479576 0.65978383 1.153840257 1.254328742 0.156752881 1.113240641 0.78887892 0.977034373 0.644852324 0.76244484 1-oleoyl-GPI (18:1) 0.47711936 0.636507706 1.133693745 0.624596162 0.605177536 0.303806494 0.884447894 0.486585893 1.274806636 0.714696448 0.654158048 1.050238384 0.961174217 1.701146613 0.645410299 1.0003116 1.891922478 2.051484785 0.402501596 0.9996884 1.967398577 1.029020887 1.013777322 1.688365264 0.947266902 1.195413549 0.940075243 0.884920074 0.526931444 0.635785099 2.953808597 1.097737361 1.546411244 1.630302463 1.184736937 1.522282291 0.943791507 1.42841795 0.832431668 1.057852519 1-linoleoyl-GPI (18:2)* 0.876022629 1.16666598 0.881161929 0.749893656 0.793161947 0.486312218 1.522781376 1.160334348 2.140057831 1.747945356 0.802594376 1.116572457 0.614325845 1.276094059 1.014868896 1.049061908 2.558777081 2.098313381 0.794820406 1.261771419 1.178070977 0.908445458 0.85807812 1.151216028 0.777924454 0.914684597 0.977212443 0.786630677 0.811147666 0.885278314 1.173449087 1.026979036 1.528908792 0.791332239 0.985131104 2.089163009 1.171655094 1.46752749 0.982909446 0.814273188 2-amino-p-cresol sulfate 1.010593547 4.48796799 1.677730331 1.194665585 1.985307382 0.066174224 0.080395095 0.189302816 0.163324917 0.345959713 0.989406453 2.112158625 0.559487873 1.369837968 1.066909955 0.881901754 0.511117846 2.499473256 0.403046072 1.078087686 1.242084783 0.951651972 0.982882647 1.15036041 0.694894126 1.703666677 1.025992564 1.194157173 2.32760555 1.137056148 0.504449827 2.142257594 0.740465441 1.039687913 0.52781967 0.29194338 0.127327879 1.152159407 0.387757047 0.808338446 methylphosphate 1.247532223 1.763330634 1.695287054 1.431123423 1.284018222 2.406493812 2.275153132 2.424982074 1.966284118 2.893872207 1.087664504 0.967762822 1.081619475 1.009335992 1.061174473 0.81116823 1.267451028 1.147007096 1.052277276 0.947892178 0.856895684 0.801261447 0.827574889 0.671772269 1.300053868 0.753602223 0.982781748 0.919736152 0.724852219 0.844973298 0.990664008 0.932395215 0.92127907 1.035048321 1.050308049 0.783083553 0.577042449 0.923776279 0.49512866 0.728615869 o-cresol sulfate 0.780248616 0.93153061 1.013787276 1.326758434 0.717116236 1.373168183 1.256532278 1.956036381 1 2.286108208 1.585892504 1.094554026 1.318597256 0.699904379 0.855166893 1.440592408 1.530565501 2.633213992 0.999177211 0.418377104 0.66579199 0.804576486 0.689119171 0.693411016 0.783295159 0.861682492 1.357401766 1.007338389 0.775334119 1.066112211 0.628988859 dimethylarginine (SDMA + ADMA) 1.117159609 1.185916191 1.96772804 2.098375975 1.233882745 1.865276427 1.562690949 1.65735814 1.192160109 1.9373588 1.114971107 0.937803359 0.976853499 0.839485229 0.828062097 1.096486138 0.932533032 0.887643065 1.443080489 0.911244427 1.241187703 0.922685317 0.935563771 0.931486177 0.999673968 1.051318428 1.400849295 1.307306041 1.103293734 1.608698184 0.627942894 0.650054715 0.742024445 0.834494878 0.707966072 1.000326032 0.803875926 0.744807304 0.688098136 0.737126608 gamma-glutamylalanine 1.258303657 1.088784297 0.810783339 1.37366638 1.42089469 2.018033989 1.036402708 1.702883498 1.437796857 0.64669502 0.978561354 0.752713534 0.576566873 1.050410739 0.899506454 0.813953992 1.402532194 1.021438646 0.420893541 1.052000517 0.40445115 0.47152354 0.561773815 0.535854893 0.388219593 1.147127364 1.568321454 1.861463701 1.34332013 1.782999176 0.460580265 0.878386262 0.501722435 0.482836109 0.624697309 1.578166609 1.271011544 0.524242253 1.276103833 0.965039046 N-acetylserine 0.778270011 0.838290061 1.175217063 1.305028861 0.838532007 1.274219218 1.313093932 1.225584259 1.228961371 1.373260335 0.924089251 0.851257987 0.821955038 0.784489583 0.760294429 1.026270023 1.692526445 1.17171328 1.617317218 1.329225396 0.938797068 0.840723044 0.73671352 0.788743432 0.804144283 0.956512231 1.751571921 1.382845509 1.189438399 1.422072149 0.714962514 0.782569671 1.112850299 0.953086373 0.804178641 1.262183969 1.710526026 0.973729977 1.105959103 0.945583636 1-stearoyl-2-oleoyl-GPE (18:0/18:1) 0.248851107 0.22910928 0.211340224 0.406701484 0.304693891 0.535135176 0.272747564 0.342833591 0.669202254 0.35398504 1.041379718 0.948748893 1.356923159 1.041684127 1.055730232 2.967088845 4.665922238 3.561654434 1.918995852 2.089745259 0.819748892 0.548561035 0.92720494 0.838046594 1.037948882 0.752771542 1.173306409 0.904552179 0.981134258 1.546047756 0.893273634 0.975402693 1.600767966 1.018865742 2.365664097 2.210620672 4.207823936 1.563677074 1.2242467 1.460113151 chiro-inositol 0.884446166 0.802808444 0.724891365 1.551957066 0.570441252 1.115553834 1.861951345 1.842472491 4-allylphenol sulfate 1.767910215 1.345752022 1 0.829687988 0.806254345 5.693740618 6.603018366 11.24717154 1.938030808 5.603491875 0.375351354 0.329078471 0.723007485 0.362788261 0.512064397 1-stearoyl-2-arachidonoyl-GPC (18:0/20:4) 0.463093315 0.571880541 0.599146499 0.645403822 0.637061592 0.565324703 0.559638905 0.542817531 0.655203882 0.508327651 1.074522377 0.97926397 0.877943007 1.051372272 1.102045308 1.172712083 1.299665136 1.291195298 1.238136151 1.198328095 1.01362207 0.86612988 1.016061198 0.99033181 0.883104492 1.068584605 1.109000616 1.040459092 1.118680082 1.00966819 0.937915347 0.959147737 0.76986676 0.879211399 0.837541693 1.280788269 1.410377225 1.218704702 1.403608695 1.236433131 1-palmitoyl-2-linoleoyl-GPE (16:0/18:2) 0.854572162 0.865902447 0.765914894 1.353345866 0.993898789 2.290388202 1.000825256 1.368509562 1.900315016 1.038042212 0.891471914 0.912078429 1.001816502 0.663897373 0.77195543 1.610774792 2.1633044 1.708620272 1.86072589 1.309701217 0.539982253 0.827315 0.823348897 0.765624088 0.746227711 0.77362961 0.999174744 1.029838665 1.027820182 1.517188464 0.71532081 0.825677162 1.402914673 0.997537956 1.812937769 1.440356893 2.880247223 1.315483088 0.920285057 0.782093083 1-stearoyl-2-arachidonoyl-GPS (18:0/20:4) 0.517869047 0.385325319 2.347195319 0.49974676 0.958671458 2.698982863 2.200499603 1.895390828 0.497682519 0.712241755 1.313855518 1.146942816 1.280314794 0.835553874 0.777357211 1.753904348 0.922291298 0.682353981 1.410098668 1.462746148 1.976729391 1.303075483 1.373929746 0.566190562 0.900357877 0.920064944 1.735411657 1.115344503 0.842988483 1.718028213 1.041328542 0.587596378 0.813144922 1.693379151 0.568757845 0.784358535 sphinganine-1-phosphate 0.6822291 0.801072882 0.995402802 0.5370584 0.81553608 0.681203923 1.444003437 1.215380235 1.052275991 0.857276573 1.038217266 0.883512838 0.731170108 1.001593496 1.020160127 1.91394059 2.074429258 1.906848563 0.942693234 1.654332959 0.671423747 0.832922235 0.917595587 0.924539002 0.615087048 1.221999923 1.451199989 1.671369875 1.492749762 1.416099742 0.949483578 0.917340964 0.73304832 0.998406504 0.807394107 1.415566223 1.423182357 1.176437121 2.593982118 1.464751946 glycosyl-N-nervonoyl-sphingosine (d18:1/24:1)* 0.760198614 0.907792555 1.553337778 1.617047633 1.127602927 1.229285514 0.904257809 0.633102868 0.932256157 0.992913823 0.876897319 1.014490993 0.759291787 1.27920649 0.998174244 1.205557752 1.007708285 0.950957417 4.930496014 0.868998199 0.861268645 0.945781424 1.083773679 1.001825756 0.955386791 1.643718498 2.476276579 1.149015244 1.829541231 2.105962016 0.750741771 0.935938781 0.831626339 0.929826463 0.902521677 2.777617962 1.323053425 0.993596734 1.991805576 1.816940994 glycosyl-N-stearoyl-sphingosine (d18:1/18:0) 0.471537838 0.527477755 0.912611535 1.07999373 0.73756501 0.599645546 0.635483667 0.51227838 0.753405959 0.689963693 0.933450376 0.972966994 0.812035108 1.025727997 1.0983808 4.440232402 6.096292039 4.36117002 28.0155693 3.770945007 0.891999693 0.974272003 1.141071101 1.148418194 0.890985019 4.242826799 5.913685621 3.422091387 5.315176002 4.937140457 0.819980618 0.923576406 0.815132004 0.800921334 0.829450848 13.79298591 10.67971644 3.040535403 9.762506453 3.585903259 cyclo(leu-pro) 1.040628475 4.089905688 4.166374943 3.689808904 4.22075903 2.934763807 7.807730324 0.968782175 0.779982291 0.984957374 0.772229315 0.955798773 1.393908818 1.015783946 0.792275854 1.015042626 0.79353198 0.794005601 0.863020469 0.978728224 1.341872246 0.90334006 1.604968906 0.69355669 succinylcarnitine (C4-DC) 0.849759434 0.573557826 0.598873334 0.881268233 1.315688835 0.804614958 0.346055311 0.549437048 0.709196536 1.734261747 2.042060443 1.107121088 2.290885882 0.928513382 2.135903578 0.59161666 0.675629686 0.64050016 0.605296698 1.071486618 1.12055931 1.341657597 1.470531529 1.310277535 3.21543147 0.47444648 1.24099271 0.499565839 1.401048815 0.761088827 1.742857547 1.763418053 2.00362812 2.041480257 0.771783561 0.605032266 0.483372821 1.934713414 0.721447856 1.179506907 bilirubin (E,E)* 1.120966665 0.737668195 0.568101236 1.171910929 1.596392066 1.428842702 0.694141558 0.596762947 1.412242052 1.778109098 1.079739493 0.576305132 0.65896717 1.130505734 3.97258445 2.629504354 0.989185099 0.802349904 1.283056656 1.377097334 0.584538698 1.023706737 0.744492412 0.476567716 0.92334624 0.348272435 1.467755574 1.010814901 0.421781121 0.87436023 N-methylproline 6.168618099 8.216763013 10.82114152 14.4694768 8.79859466 13.40088488 12.07031424 12.22413254 8.356620492 15.86061794 0.804571187 0.465038885 0.846448342 1.09074581 1 1.292055679 0.991303056 2.535566242 0.776731517 0.620316238 0.749945876 0.703142848 0.656866352 1.192408967 0.692156068 1.355760779 0.854713741 1.149161478 1.364594659 0.549732949 0.404148226 0.723504988 0.365515609 0.393086226 1.432971527 1.20784427 0.786925124 0.654285283 0.790510076 taurocholenate sulfate* 28.03529228 0.763315147 1.094227072 15.40075864 0.83383736 0.905772928 2-hydroxyglutarate 0.791083158 0.869496602 0.980201671 1.360237929 1.373959728 1.060538874 0.813073082 0.943969558 1.303324437 1.664187791 0.932336461 1.00688839 1.153080832 0.865818595 1.1499682 1.059918661 1.18445235 0.954539882 0.565267265 1.449229979 0.99311161 0.896831809 0.749733539 0.721873229 1.073927218 0.482404084 1.036936654 0.869856619 0.865072854 0.71994747 1.226804478 1.020062237 1.248713001 1.130709755 1.485118069 0.830983996 0.674726197 0.672965952 1.873609814 1.137036555 N-acetyl-beta-alanine 0.996552544 0.809368382 1.649165883 0.997623928 0.783677815 2.500279738 2.588223835 1.77270802 1.088009785 1.878414895 0.849229306 0.920142247 1.02522396 0.759310056 0.684480786 1.165484671 1.008684327 0.876736469 2.575679808 1.113831727 0.914092212 0.98300735 0.852561242 0.699120015 0.943472598 1.025602229 1.939739742 1.238977542 1.517267857 1.212220121 0.872824671 0.599925252 1.294936408 0.949925819 0.699498284 1.512316387 0.811080784 0.876070535 1.062806211 1.002376072 5-methylthioribose** 1.295302609 1.4811941 1.776554171 1.595465321 1.242474281 0.995981107 0.901758777 0.996752426 0.646551608 0.895077374 1.010632566 1.217104333 1.003247574 0.856658769 1.077815139 0.688260117 0.621809955 0.613540162 0.741459515 0.714877289 1.944584996 0.872450815 1.045278157 0.983503824 1.157739426 0.795958375 1.152430979 2.79032209 0.913871836 1.50775399 1.132182863 1.045408211 1.459401545 1.223754753 1.090450217 0.436884325 0.233437311 0.684416852 0.611211794 0.698954108 sphingomyelin (d18:1/18:1, d18:2/18:0) 0.561841176 0.54485473 0.712570971 0.625745328 0.64223771 0.618623013 0.612140269 0.530467049 0.634694773 0.664534955 1.107557969 0.995553324 0.736676841 1.06705824 1.12870293 1.162334133 1.208782064 1.434292916 1.68133704 1.276897931 0.780895018 1.043916498 1.18812748 1.294867154 0.847083353 1.004446676 0.81996836 1.10826303 0.956210866 1.106622321 1.26945265 1.127906935 0.745497114 1.060495333 0.893439554 0.866831781 1.429160009 1.048537561 1.504816284 0.764580165 palmitoyl sphingomyelin (d18:1/16:0) 0.687873079 0.68595856 0.822271574 0.743071287 0.764101243 0.828981554 0.742034195 0.706475721 0.801874329 0.820840598 0.969888115 0.997875343 0.808807336 1.037315097 1.002124657 1.09015771 1.048165969 1.206369242 1.941072877 1.026778439 0.868095734 0.973968319 1.104657283 1.14801006 0.946574879 1.088586379 1.068360435 1.073802582 1.112057135 1.163502697 1.035410395 1.034341797 0.869748926 0.967613662 0.908034683 1.209367303 1.381146725 1.060688061 1.551224878 0.900320017 cysteine sulfinic acid 1.285730408 1.321211227 0.720233703 0.876238182 0.621578449 0.776185226 1 0.897724609 0.587373794 2.053685682 1.009210949 1.42086484 0.9943571 1.455685873 0.591054701 1.381963556 1.539400464 1.652727257 0.621795484 1.534452074 1.263193534 0.868650652 1.267473457 1.118405403 0.982533054 1.043346153 1.202258896 0.708730868 0.63149259 0.670393874 0.530354461 betonicine 44.09609626 37.53214078 29.09739354 42.79770979 29.12596857 133.6658649 78.82830436 133.4406446 78.2622522 111.4158281 1 0.666587194 1.29757305 0.55812127 2.855427854 0.642983865 1.849684798 0.812063924 0.587229238 0.271059625 0.54325524 0.78447762 0.625298898 0.586366728 0.557384981 0.85889192 0.492282988 ergothioneine 10.57998098 9.094115893 7.408042203 8.624818956 11.52306378 8.672186057 7.819703829 8.306251408 9.72263396 13.07925404 1.902400722 0.671088546 2.060964695 0.865165639 2.10226232 1.201056608 1.17036959 1.23466889 0.621916109 1.857162927 0.562119861 0.62772211 1.145581312 1.134834361 1.72881675 0.394109736 0.57928452 0.264309832 0.571810143 0.408038364 0.301237679 0.264070308 0.298193267 0.259758262 0.213962192 0.262909845 0.253222634 0.347421593 0.304123943 0.420762003 12-HEPE 4.503852282 2.870343117 2.631009608 6.24151178 1.722756208 3.768901001 12.26469345 5.569918844 8.711985783 6.408716954 0.668686335 0.312170809 0.532542064 0.33526672 0.627859178 1.39913051 1.709192601 1.452875143 0.863434459 1.935207125 1.061916704 0.736594073 0.597530161 0.670957475 0.561935673 0.957501201 1.042498799 1.101188801 0.488341985 0.481213603 1.284417621 0.736353405 0.780438484 0.861424933 0.66814572 0.625269122 1.949933371 1.30540679 0.88537919 0.497982966 12-HETE 0.525079612 0.551018359 0.728461085 1.013577186 0.45482291 0.560311093 1.578129281 0.774678124 0.80667519 0.865530082 0.881048573 0.471645245 0.998816121 0.544605822 1.109942943 1.195161587 1.602586347 1.2072255 0.823886888 1.515152309 1.12360378 0.960469263 0.858990771 1.004239671 0.85711879 1.042969993 1.769367835 1.492102628 0.972748264 0.911414221 1.630971762 1.305360808 1.219105811 1.287865607 0.771697009 0.536249135 1.597251802 1.637714747 1.408210275 1.001183879 S-methylmethionine 42.50610254 47.43531306 83.65844986 107.9873288 54.37679112 71.22438614 55.15326991 45.21200807 39.84620633 86.61705348 0.411340157 0.805819038 0.696597953 0.411047042 0.337076546 0.398053914 0.757926097 0.425673922 0.694229014 0.83798472 0.904492816 0.377045793 2.309081736 1.152404978 0.358911153 1 1.529282591 indole-3-carboxylate 1.107185492 0.847568414 1.274542549 0.96786588 0.883596986 1.432290681 1.095462996 1.4072018 0.993111321 1.517127108 1.792015395 1.744825337 1.005427444 0.966215467 0.892449199 0.509977494 0.905548126 0.704830555 1.316631332 0.795707623 1.061821977 1.298039727 1.018545941 1.073805408 1.586255259 1.140924362 0.809002251 1.228807202 0.78745556 0.878521804 0.831501354 0.994572556 1.010907075 1.097446101 1.041397306 0.638827098 0.704426107 0.732868 0.507309436 0.479350272 13-HODE + 9-HODE 1.188404988 0.562625455 0.310767112 1.230031404 0.695474627 0.922384345 1.148130773 0.667632581 2.315192061 1.659423753 0.509271841 0.402745727 1.091172551 0.674884257 0.981716455 1.512075021 3.095072696 1.851991603 0.941084856 2.153350617 0.631521598 0.410053666 0.558708768 0.762824282 1.202532097 0.451656693 0.670668345 0.449929616 0.60870021 0.574360871 1.483522315 1.227635392 2.213847913 1.018283545 1.030718452 1.501766929 2.464767069 1.745422502 1.233418337 0.530130776 N-acetyl-3-methylhistidine* 0.747111851 0.966507563 0.862546308 0.894783232 0.844673089 0.623845581 0.972178226 0.662872768 0.741239337 0.667937878 0.655716483 0.544679683 1.510961173 0.511218197 1.280216061 1.145245134 1.316732223 0.916744604 2.760956127 1.261626945 0.74967132 1.207073392 0.834919657 0.877819688 0.73571939 0.818919614 2.1911662 1.10123896 1.098668726 1.110260347 1.249976114 1.359955216 1.837744223 1.027821774 0.854518027 2.234994745 2.566345006 1.782361736 1.744863233 1.936231283 alpha-CEHC 0.963472613 1.15541183 0.947460485 1.036527387 1.682448555 0.630079478 1.218267281 0.77634152 0.766850858 1.917122661 hydroquinone beta-D-glucopyranoside 0.469099515 0.146463972 0.703439325 1.097387105 1.212747007 1 2.028905982 0.975776488 2.377466886 4-cholesten-3-one 0.868518114 0.780351184 0.946430895 1.611349711 0.916181225 2.463796182 1.600568475 1.934615004 1.819325795 1.341572832 1.01374074 0.758054692 0.63222892 0.550817833 0.959108349 0.667326503 1.300366229 1.18186113 2.602191386 0.820598616 0.68475426 0.399212881 1.092205338 0.959906139 0.916541727 1.182039429 1.726179507 0.98625926 1.317931939 1.360074287 0.751888408 0.839854914 0.891322172 0.617616207 0.736636681 3.002484474 2.821805063 1.521296976 1.266072944 1.231415252 homovanillate sulfate 1.697295688 1.774513139 1.500722851 0.899410381 2.631799756 3.185035576 3.528729767 2.038878023 2.871531026 1.255988321 0.95721008 0.775136775 0.410394875 1.156532585 0.783896023 1.0614423 0.738639907 3.062236018 1.10655668 0.949896533 1 0.699691017 0.636108513 0.641976359 0.951157978 2.521770559 1.150820648 1.419310032 1.126583893 0.718456785 0.726620744 0.785157468 0.924795192 0.622785384 0.851390424 1.561031267 1.100320322 0.85565666 0.513521558 cinnamoylglycine 62.3280692 67.22978475 30.89551294 44.09305436 15.89995686 43.67665805 119.991638 56.29831713 42.02505035 29.93067379 0.745905133 0.935521006 0.449966945 0.595347792 0.583641975 0.699153332 0.473419421 0.832986617 1.064478994 1.808607579 2.534097725 2.917765736 2.091058297 1.796411679 1.827924987 0.657506554 1.302225024 0.899663324 0.71092041 0.419602268 1.205888134 0.824844105 0.641481886 1.690661126 0.56266033 0.669676929 0.439853894 0.618509282 0.756508266 0.595373318 stearoyl ethanolamide 0.541185638 0.503443247 0.514839063 0.719428553 0.552713906 0.868280447 0.671214027 0.618071778 0.754806518 0.64553241 0.835339118 0.842926289 0.957488016 0.817915424 0.887156083 1.130883914 1.184933241 1.403086806 2.120161745 1.083389953 1.09037704 0.887705195 1.062947686 1.012737512 1.059521334 1.097445219 1.150515256 1.024976305 1.159099093 0.987262488 1.203214971 0.950142964 0.897098799 1.066623495 0.913424269 1.459704835 1.377656577 1.081806332 1.254068093 1.041146926 cis-4-decenoylcarnitine (C10:1) 2.155834939 2.11032375 1.421077776 0.89179507 0.724996167 2.60277654 3.357847049 2.864511844 1.847975212 2.129907864 0.624278292 0.793010582 0.915274271 0.768839837 0.835886527 0.945653854 1.247043936 1.030705887 1.656467766 0.982829947 1.628059944 1.041455982 1.072564609 1.112742312 1.004955933 1.26761365 1.095046835 0.861215117 0.872279766 0.932693504 0.841396634 0.803271502 1.031292684 0.995044067 0.837078371 1.197689473 0.774634874 0.735482269 0.86790163 0.763240421 2S,3R-dihydroxybutyrate 0.247383339 0.327268855 0.510868254 0.555110702 0.307942626 0.34018382 0.407588624 0.408017465 0.269859967 0.33942706 0.891106599 0.702054612 1.010065361 0.569169307 0.680049916 1.542921839 1.335252915 1.10573449 3.101795879 1.196603623 0.991121106 1.375348127 0.848502544 0.865975551 0.999027184 1.157611534 1.080607241 2.00451714 1.035986545 1.505199994 1.025936766 0.918692603 1.000972816 1.177203475 1.358291024 1.184278153 1.214917168 1.37908095 2.461450567 0.96984179 5-methyl-2'-deoxycytidine 0.938841097 1.101500423 1.678681 1.91344662 1.355976511 1.215813389 1.499077571 1.502073621 1.354697102 1.65492937 0.971913875 1.214981358 0.88212369 1.037541947 0.813114914 0.953338917 0.90884831 0.950889867 0.803605591 1.231608145 1.17232454 1.308819161 1.153316963 0.981806928 1.140191718 1.76448629 1.868376727 0.919689621 1.963995742 0.509206766 0.548853697 0.719896983 0.431881368 0.626916116 0.818004712 0.532970388 0.532202005 0.570210701 1 S-carboxymethyl-L-cysteine 1.502612973 1.525182997 2.153142918 1.847757031 4.48313931 2.433018351 4.219801566 4.326646084 5.208864059 1.028740471 0.513238616 0.676477009 0.925255171 0.729297817 0.842352878 0.365085517 0.567199954 0.449368921 0.492388297 0.971259529 1.095773355 0.86712377 (12 or 13)-methylmyristate (a15:0 or i15:0) 2.146553775 1.349172229 1.139586312 4.404947776 1.753542386 1.22490426 2.664388819 1.844883081 1.926362645 2.50359083 0.680108355 0.802401158 0.783588003 0.389967512 0.952348861 1.009009722 1.913119634 1.075857973 0.654958242 1.301071254 1.111398231 0.635074632 0.826842156 0.71833566 0.639380127 1.091983854 0.832162037 0.644717171 0.853778961 0.425323463 1.210634134 0.784924858 0.976251676 0.990990278 0.5951744 1.075654989 1.116153828 1.677341789 0.755196446 0.551651573 (16 or 17)-methylstearate (a19:0 or i19:0) 1.69013843 0.979562976 0.922769652 1.573791468 1.139769603 2.114005371 1.541831053 1.464653489 1.771669724 1.844359653 0.734619095 0.777910543 0.594263208 0.639090683 0.976180599 0.756189364 1.850415198 1.363729853 1.050877707 0.95599899 1.083973138 1.065576947 1.220632074 1.143155522 0.934669611 1.195255037 0.902347861 0.627149632 0.889850638 0.605298797 1.138496429 0.614787023 1.020437024 1.232269887 0.915542957 0.742435262 0.947949726 1.321468564 0.665630368 0.766358458 2R,3R-dihydroxybutyrate 0.627381954 0.717054609 0.94975253 0.986968587 0.735908993 0.619483018 0.731903487 0.725631253 0.403405195 0.570884679 1.081893663 1.075733333 1.04901306 1.012651776 1.127291666 1.566685139 0.571069632 0.62838987 3.208956277 0.810026871 0.8794406 1.218693068 1.039083037 1.062067725 0.925355737 1.254299 1.629744917 1.835730062 1.301730322 1.921325049 1.259282648 1.049123534 0.919665581 1.144329821 1.153217105 0.820571607 0.340628557 0.794654532 1.971056297 0.987348224 4-methylbenzenesulfonate 1.133176033 1.108089854 1.406141728 1.238923926 0.853508995 1.237345075 1.921724105 2.303472594 0.958695519 1.271185103 0.937030182 1.089441876 1.014113168 1.086792916 1.039497575 1.288552457 0.539580903 0.772636768 0.985886832 0.590349715 0.793319708 0.836527582 1.142789478 1.024691466 13.97108949 1.170436903 0.694483672 0.468953661 0.803564693 0.676975975 0.947240082 0.762093556 1.556658802 0.677432088 0.363363653 0.786232424 0.827194821 2.718131343 alpha-ketoglutaramate* 1.620066056 1.240792993 1.457550275 3.037921381 1.814070902 6.767227264 3.891837954 6.407247212 3.835824676 6.179415872 1.055324651 0.803711604 1.045591329 0.820709252 1.005504004 0.971409541 0.88255232 0.886913027 2.297072807 1.105933809 0.999836212 0.996304649 0.811858417 0.69799618 1.246931923 0.743358384 0.952584803 0.922508435 1.000163788 1.138845774 0.827400228 0.75800804 0.807468354 0.955000994 0.72073322 1.158884335 0.976518483 0.748450679 1.531511709 0.812447339 2,3-dihydroxyisovalerate 0.641468259 0.888189987 1.035402185 1.596066558 0.724944898 1.933121806 1.580370334 1.037402814 0.992678083 1.139061932 0.990490954 0.84172742 0.981919248 0.769662363 1.086661661 1.881828421 0.852089035 1.095046867 1.081747281 1.170645724 1.125288832 1.131071524 0.789637174 0.784957735 0.738920241 1.007321917 1.453818393 2.166998087 0.941313246 1.530398188 0.954486884 0.794876111 0.711939594 0.906802383 0.902323976 1.040607213 0.461743406 1.011367985 2.22072323 0.872737181 3-methylglutaconate 0.714489653 0.672079754 0.777740212 1.003605545 0.82582352 1.593077432 1.105286467 1.429736019 1.410392293 1.678773271 0.954496793 0.693421979 0.742403642 0.997860345 0.949260919 1.487305407 2.474697885 1.819264853 2.181700441 2.283199946 0.584476609 0.629826048 0.61287276 0.50405933 1.205475306 0.639963096 1.163897791 1.133825229 1.161517055 1.311100838 0.593002245 0.696810696 0.965338166 0.805961737 1.002139655 2.17821762 2.273491703 0.762987213 1.779484048 0.87265243 5-(galactosylhydroxy)-L-lysine 1.831914089 1.984989524 2.058304715 2.850816628 1.962578104 2.112907412 1.765307131 1.581895548 1.510798581 3.132753996 1.543373554 1.249786779 1.237680543 0.962996306 0.971760529 0.984966348 0.834346049 0.747261599 1.410160153 1.106892922 1.136406056 0.941513995 0.977195614 0.890623616 1.724873355 0.828813624 1.097275299 0.982954136 0.982074984 1.108396802 0.855922095 0.852239133 0.990058425 1.009941575 0.785129509 0.478583613 0.500892543 0.842750267 0.547954208 0.620005006 cysteinylglycine disulfide* 0.995647213 1.238356184 0.878231758 4.665486304 0.736973921 3.67958916 1.610217762 2.161083884 2.332631148 1.697502791 0.685020701 0.641485798 2.938220285 0.811883154 0.591262273 1.28832759 1.03831595 1.037002647 0.620487003 1.67785683 0.339265306 0.659168394 0.882378107 0.906589444 0.971096788 1.004352787 0.94403835 0.715889914 0.985502714 0.949405763 1.162208317 10.72025061 0.977321582 2.127925394 0.991020344 2.053602096 1.297643697 0.77786904 6.790319506 2.249406378 formiminoglutamate 1.212246838 0.522766908 0.725482346 1.099615283 1.181296786 2.612399526 1.275254514 0.844884023 3.373488374 2.991295239 0.940707583 0.400452977 1.270615278 0.357061506 1.750047302 0.89206812 2.894519884 1.281157198 3.204385881 1.217396779 0.381127598 0.336959037 0.153360798 0.153679299 1.713048393 0.651179246 1.452782118 0.615376832 0.912964321 1.058525979 1.090983894 0.325369934 0.994903459 0.58315192 1.005096541 2.764993601 2.008621118 0.806751386 0.955530866 0.554884163 hydantoin-5-propionate 0.487985336 0.680128807 0.540079679 0.724129605 0.749228218 1.108608723 0.6948869 0.66991394 0.795628746 1.372781051 1.752872161 0.776226412 1.319775105 1.172763311 1.8888314 1.470918673 2.054681321 2.106073485 1.072834515 1.695000234 0.384432306 0.634531474 0.405335088 0.38452593 0.95245381 0.304738604 1.098911252 0.639197889 1.476038425 1.020725389 0.58416671 0.931033633 1.676445443 1.187799812 2.420913622 1.654907004 1.049790701 0.528662483 1.142473496 0.979274611 sulfate* 0.961674258 1.062644241 1.034770786 0.987683327 0.95335613 0.847819679 0.796673625 0.887858777 0.905118942 0.789563861 0.926721825 0.997550564 0.866433313 0.963612982 0.905444689 0.918261056 1.322526907 1.076296198 1.430610129 0.965542417 1.239993497 1.051966313 0.923130564 0.99021034 1.100205587 1.099371535 1.327947102 1.206384811 1.002449436 1.113721276 1.094256254 1.113472511 1.131020822 1.286539368 1.057139523 1.366471427 1.064491797 0.974835415 0.7423177 0.963211065 4-hydroxyglutamate 1.355503212 1.548847635 1.589943637 2.473087058 2.070392914 1.601514777 1.525892598 1.415771378 1.794484712 3.296179407 1.437437416 1.442322044 1.183832967 1.313815627 1.616670692 0.671291686 0.499200821 0.410352155 0.349535825 0.644344822 0.558565331 1.274271851 0.624667913 0.638819765 0.571604573 0.7144528 0.828183217 0.980236253 0.723958828 0.997799204 1 0.961636676 1.297880886 1.22506194 1.198400013 0.516098919 0.457195735 0.555327908 0.474910652 pantoate 0.652632802 0.477692486 0.686046092 1.229798876 1.089387987 1.964511658 0.332450197 1.193415358 1.132906 1.814746748 1.477775346 0.502809818 0.610815906 0.584245329 0.985150987 1.481922617 1.384922093 1.247294465 1.828779197 1.727195146 0.432903946 0.467433373 0.768988671 0.467041026 1.586746014 0.570807776 0.989302506 0.555521798 1.28697682 1.292200568 0.761609135 0.566865886 0.64039637 0.963308411 1.058719714 3.271390561 5.144104197 0.956610173 1.450023477 1.010697494 sedoheptulose 1.047438351 1.272929345 1.717387492 1.877268094 1.213215074 2.394827829 2.72289293 2.823888134 1.842978001 6.465759185 0.7876512 1.087794383 0.910482167 0.508636205 0.577751115 1.127860309 0.814032626 0.627135802 1.104967227 1.018616802 0.812807511 0.998745065 0.656598212 0.773822153 1.026403159 0.899035626 1.512317111 1.001254935 0.773958614 1.111939872 1.007209683 0.504490827 0.840548492 0.775595134 0.697640591 0.82494141 0.706822892 0.620975857 0.858638151 1.148625611 S-methylcysteine 0.802858607 0.837083613 1.086458567 1.08098442 0.887798008 1.32644044 0.959811623 1.291200939 0.830847308 1.199754874 0.912169034 0.848737419 0.625775354 0.466710954 0.649703505 1.76358688 1.681394852 2.852352519 0.326569183 2.303325943 0.865592436 0.975551728 1.024448272 1.107858208 0.807382632 1.848842988 0.971377884 2.267471052 1.24337811 1.107273715 0.746737012 0.647594697 0.533150003 0.822177763 0.569123338 2.110448514 1.630953393 1.254506644 3.82186363 1.28749057 nicotinamide N-oxide 2.638567361 4.893535226 3.502874719 2.212108342 1.294332059 1.12000951 1.699668249 1.836759295 0.425973358 0.762006288 2.683565461 1.919931609 0.538285896 1.812563328 1.158808456 0.867219696 0.589956679 0.795477265 0.266831982 0.319338276 1.242725379 2.608849847 2.438160886 2.45251868 0.958400171 1.675478438 0.719264105 1.031906702 0.544310125 0.968093298 0.382893276 0.348837224 0.462328967 0.490484288 0.20342547 0.252655994 0.314770851 1.283466246 1.26246945 0.554942704 argininate* 0.660167147 0.849215753 0.599339282 0.724442821 0.622830232 0.857644181 0.862248886 1.18951446 1.423893732 0.797207929 0.712343638 0.779002634 1.052008048 0.833509514 1.194888037 1.587814061 1.243912335 0.915323889 1.234497025 1.343281112 0.789179638 0.791705161 0.712105889 0.752379677 0.577162232 0.772651595 1.522834561 0.947991952 1.670159559 0.826138846 1.951051064 1.667470752 2.556710433 1.478968071 1.862410152 1.732774578 1.742494925 1.693295231 2.52621127 1.894879043 2-oxoarginine* 0.93490668 1.105677498 0.91285335 1.15503805 1.04000075 1.042670793 0.876637097 1.098904184 1.640445871 1.283153782 1.162901133 0.914003708 1.000737337 0.913081178 1.214050778 1.039866376 1.109861815 0.802527037 0.898818201 0.974084031 0.760897044 0.673181089 0.744628631 0.705034697 0.753578845 0.70979967 0.978898503 0.868944158 1.28524726 0.865253776 0.910094341 1.09751082 1.951447536 1.212641574 1.508847784 1.152718724 0.999262663 0.959419518 1.268538768 1.113034108 cis-4-decenoate (10:1n6)* 0.880794211 0.652232359 0.66971575 1.241396464 0.990577474 2.033895119 0.653266108 1.05792727 0.887537446 1.098140643 1.2170604 0.66070792 0.763571287 0.709995942 1.058428079 1.411915759 1.004799896 0.960634909 1.492132501 1.29473895 0.782840649 0.766363983 1.273400208 0.732959186 1.380444553 0.706649466 1.033078701 0.563851834 0.995200104 1.078378002 1.287736102 0.856439325 0.605347276 0.918505155 1.340004236 1.693732305 2.180094887 0.888998596 1.320334631 1.026125597 1-lignoceroyl-GPC (24:0) 0.933617235 1.162886257 1.301451243 1.435776037 1.233743407 1.191308557 1.083772414 0.944715909 1.226140707 1.106681947 1.293156823 0.960056733 0.654229693 1.329408007 1.195084992 0.943083861 0.979816241 0.944619456 1.883318444 0.836744482 0.754446623 1.111779895 1.233754618 1.247053024 0.781542073 1.125063353 0.996810824 0.927480371 1.101155656 1.34935704 0.95229227 0.968455792 0.898614423 1.003189176 0.83618267 0.72196885 0.831240257 0.989086402 1.099105942 0.769847953 1-(1-enyl-palmitoyl)-GPC (P-16:0)* 1.111599164 1.147824766 1.061468426 0.881088624 1.041911007 1.136700025 1.098373352 0.96942668 1.209438836 1.111695385 0.962580847 1.090372877 0.792612285 1.234425599 0.970242186 0.820668631 0.762016881 0.755604302 1.452435923 0.778328576 0.863782654 1.002440734 0.985922402 1.080755061 1.044666692 1.005208511 0.920353838 0.882520886 1.010693064 0.997559266 1.876940113 0.971104487 1.113634511 1.377109155 1.027548955 0.84548083 0.741870048 0.917221686 0.877838168 0.824167261 1-methyl-5-imidazoleacetate 0.773265234 0.92979202 0.986358951 1.455703564 1.013641049 1.761471236 1.552646533 1.215162059 1.283978912 1.177203535 0.833741998 0.821845695 0.366723713 0.464527378 0.804810786 0.714079516 0.782888584 0.510719238 4.495317874 0.971135509 0.411471069 0.638129107 1.182704657 1.214487068 1.086959326 0.425247784 0.83715365 1.193779183 0.882720559 0.977065868 1.377148824 1.181652694 2.017526419 2.008171063 0.693606266 2.451342254 1.931347725 1.261403959 1.032774325 0.95547727 tauroursodeoxycholate 0.279325482 1.041067397 0.434233515 66.6652841 2.638345764 19.09004486 0.959932378 0.762505454 33.48137156 0.746861098 0.255842549 0.258331226 11.61685162 0.216121851 0.532872289 0.777586893 1.518438065 1.213998545 0.241373735 0.531927089 9.047882114 0.220833247 1.40912614 1.276335637 10.73919598 3.393553525 1.567911056 0.260889595 0.412910527 0.783454616 1.822990322 1.089381244 0.392446393 6.527077077 0.681035042 0.162910335 2.105909307 1.526224629 1.040067622 0.707008958 ursocholate 1.058299514 1.428979708 2.020488711 17.44582166 2.683701057 9.009768505 14.6292112 2.509151186 9.251691912 5.018922549 0.630643041 0.458888254 3.447147757 0.623495284 0.604832809 0.981657616 1.595018577 0.593721063 1.073398114 0.318096599 6.059991426 0.798116605 0.402769363 0.433252358 9.845887396 1.247253501 1.311903401 0.673026579 0.606701915 0.280302944 0.27759074 0.375575879 0.639282652 0.891626179 0.220388682 1.006336096 4.305678765 1.241086025 0.993663904 0.842635039 3-(4-hydroxyphenyl)propionate 1.43295717 1.480168943 1.774513298 1.955190391 1.457915924 3.831412922 2.083943774 7.048096087 1.972111133 7.393638223 0.251659737 0.434620207 2.995974395 1 0.505642447 0.330706791 0.562977628 0.653718736 0.571926351 0.5846895 0.831201742 0.440256055 0.404725137 S-methylcysteine sulfoxide 0.823658344 0.749589279 1.201502067 1.594704579 0.907562841 1.723016703 1.24197552 1.687971136 1.273588133 1.711615955 0.768820583 0.539628143 0.436826487 1.389294196 1.32952778 2.122390975 0.211057055 1.727812098 0.286212095 0.388492643 0.744587031 0.878706934 0.614299864 0.935511781 0.633097575 1.357512521 0.798275169 1.169897409 0.588115137 0.572286952 1.933504915 1.161157896 1 3.268621687 1.189313688 (14 or 15)-methylpalmitate (a17:0 or i17:0) 1.183412331 0.769112549 0.637873195 2.599923983 0.597709814 0.877696519 1.338840948 0.900641485 1.109533654 1.234825449 0.624312017 0.727722139 0.689174133 0.56557014 1.185033048 1.373983286 3.289337261 2.242216882 1.31941557 1.770483749 1.422193108 0.779371171 0.963665356 0.939066627 0.861069941 0.963558766 0.782609252 0.739087783 0.621677947 0.640315701 1.538193916 1.036334644 1.289021217 1.087677323 0.753650636 1.233786381 1.461282015 1.941610567 1.114873847 0.690871377 eicosanedioate (C20-DC) 0.707571824 0.573867837 0.618849182 0.745529804 0.519621581 1.429630951 1.150441432 1.132150164 1.15607001 1.128786772 0.881195949 0.943486409 0.969516703 0.860218266 1.020253426 0.914948077 2.076801403 1.242617729 1.213239087 1.133607276 0.973797775 0.92551966 1.114744339 1.049917903 0.85611987 0.930808676 0.736236955 0.809990888 0.618881419 0.657241287 1.178433884 1.024403401 1.198874284 1.27970746 1.068735708 1.151030294 1.122764902 0.979746574 1.357297595 0.616998779 docosadioate (C22-DC) 1.502736965 1.355925214 0.99129359 1.041237388 1.135464819 2.09718056 1.816247531 1.282775409 1.989218418 1.517801914 0.351455613 0.680496711 1.11309021 0.778774717 1.219017087 0.921722127 1.27814618 1.506967123 0.719851811 0.96154281 1.198977047 0.669927968 0.897378765 1.53195565 0.838529022 1.346267684 0.984682306 0.478287185 0.708365204 0.731937027 1.298086452 0.971446435 1.79971932 1.327065694 0.949856667 1 0.662877705 0.795302929 0.672974213 16-hydroxypalmitate 1.158278984 0.784035312 0.498309386 0.537472421 0.464839493 0.630245594 1.133203178 0.49836964 0.790814812 0.493016341 0.413868252 0.974512585 1.276883003 0.972506724 0.997575503 1.247609331 2.529660985 1.47322117 1.030625565 1.424823639 1.699418949 1.404619252 0.746809663 0.799526613 0.909270515 0.760336667 0.5700723 0.685178919 0.567281647 0.639144136 1.331453162 1.284107153 2.590277434 1.522181317 2.170726358 1.35816972 2.437008617 1.959131774 1.297248564 1.002424497 UDP-N-acetylglucosamine/galactosamine 0.704365378 1.43699815 1.246111352 1.958780775 0.969360022 5.503784626 0.953566401 1.919827899 0.56024859 0.491558735 1.570394044 1 2.752658091 1.179510787 0.991279868 0.35332029 0.751400976 oleoyl-linoleoyl-glycerol (18:1/18:2) [1] 1.006949918 0.993323356 0.879514756 0.92304355 1.004897069 0.659776865 0.995102931 1.285988852 0.963846933 0.662369569 0.892427824 0.774697681 0.887142212 0.385009369 0.618522038 3.048070728 4.05576027 3.780329524 2.321284494 2.591292425 0.617557718 0.819820196 0.725780239 0.71478926 0.419745876 1.115998776 1.276037505 1.386297365 1.019922789 1.136426917 1.030674591 0.763983446 0.862813277 0.964187764 1.009314882 2.63818846 2.718261838 2.143829235 1.723952741 1.975169873 oleoyl-linoleoyl-glycerol (18:1/18:2) [2] 0.826699153 0.802133833 0.68011312 0.855678146 0.994125082 0.810670753 0.772680827 1.268741807 1.005874918 0.922966898 1.245077142 0.71461459 1.089424807 0.303180646 0.653461602 3.754567295 5.625512552 4.017250641 3.320478941 3.936018455 0.551886084 0.74433845 0.629053323 0.570331044 0.612651519 0.912984514 1.642127382 1.34427862 1.252594224 1.307323581 1.052347532 0.724787025 0.943502836 1.068446468 0.925232427 3.323872159 5.719183127 2.693389201 1.95575082 2.15604597 1-(1-enyl-palmitoyl)-GPE (P-16:0)* 0.98759512 1.099291128 0.935070621 0.967844988 0.973544145 1.138522814 0.944041494 0.890384269 1.01240488 1.223065928 1.158758314 0.816436744 0.775036561 0.883816147 0.956111855 1.122170256 1.107082304 0.920480081 0.956126308 1.155406506 0.70870919 0.911302053 1.109714491 0.933489863 2.284091289 0.911746472 1.395903219 1.091465025 1.065235293 1.128648049 7.393255978 1.418089223 2.297493702 4.443860986 2.109331195 0.604152183 0.856463325 1.030519455 0.93637738 0.973753106 1-(1-enyl-stearoyl)-GPE (P-18:0)* 0.635197289 0.873181974 0.603264656 0.589510241 0.528983683 0.743301803 0.571679616 0.521218753 0.716832126 0.596764965 0.904690242 0.842037622 0.757658914 0.907421417 0.788577785 1.322941001 1.175594724 1.084254481 1.613628677 1.201333549 0.806187764 0.845640501 1.016896355 0.973001075 2.346570388 1.024070679 1.342738098 1.109319881 1.227890275 1.15971183 7.715067864 1.073628405 2.236684988 4.282590869 2.064888702 1.043115161 1.144706684 0.983103645 1.143917194 0.898346514 2-oxindole-3-acetate 1.166549944 2.178711118 0.62177251 0.5338914 1 3.64875305 3.415783539 1.696593902 1.067600007 2.024364192 0.038901662 0.046142868 0.118427196 0.052168398 0.059162945 N-oleoyltaurine 0.320317123 0.548305652 0.489475325 0.710917811 0.453521123 0.879077998 0.692791301 0.515557937 0.800485817 0.505564952 0.850123906 0.851299345 1.044039869 0.658742082 1.069762963 0.669350217 1.689449411 1.462162411 1.885950874 1.25675469 1.765831953 1.217456265 0.904140418 0.954384318 1.164665385 1.267600948 1.113293903 1.465764602 1.112851508 0.915267987 1.236255123 1.042016993 0.797288669 1.198872185 0.957983007 1.109638018 1.883384051 1.695444502 1.430904131 0.655331323 linoleoylcarnitine (C18:2)* 0.969421185 1.030570392 0.883867169 0.605896537 0.540189334 1.92164871 2.11598646 1.878549499 1.257068625 1.451329313 0.509152058 0.640036425 0.681171874 0.380678319 0.634835089 1.733736817 2.474850224 1.454067165 8.77844815 1.654187803 0.969429608 0.808525924 0.627752654 0.625835917 0.730806912 1.559063246 1.878305956 1.276013096 1.765056469 1.501468146 0.748905922 0.612808787 0.6878939 0.773603984 0.644467049 2.458348641 3.266094966 1.22153417 1.970766946 0.884579147 N-methyl-GABA 3.509491755 3.46155814 4.874347762 6.388059658 5.335820069 9.548819397 6.646746853 6.165315172 7.640625903 7.96389512 0.532200163 0.37471931 0.444456831 0.587868406 0.563068534 1.412131594 0.362312943 0.263082676 0.286668327 0.421796892 0.427177961 0.25061582 valylleucine 0.143824527 1.106079036 1.081188495 0.918811505 0.837358337 1.192839746 0.632518196 1.431849474 2.124701891 1.391058833 2.424455519 0.696750714 0.670067998 2.225980206 0.579010573 1.103657558 0.621959426 0.582734299 0.760748124 0.850378004 0.732245076 1.932461883 2.212166519 0.800358998 1.168581324 1.163967845 N-palmitoyltaurine 0.606511197 0.555555556 0.691478517 0.793528237 0.823877604 1.022462601 0.482309312 0.66206885 0.914355173 0.848500675 0.972740316 0.889860052 0.99560984 0.817245169 1.00439016 0.729551042 1.752670174 1.508090228 1.841966825 1.139216106 1.008048277 0.932501028 0.973931721 0.893140611 1.231306686 1.334025523 1.087062767 1.309966691 1.259008952 1.167610562 1.009099147 0.808074706 1.021220855 1.154433789 0.853759219 1.320716605 1.319210568 1.494164632 1.242201331 0.613504409 N-stearoyltaurine 0.378218767 0.460211758 0.615757545 0.599721172 0.535892187 1.04084201 0.584154536 0.560308469 0.763744835 0.661819415 0.993848202 0.884429596 0.971730366 0.918672679 1.150205353 1.042836509 1.86791595 1.971624863 2.975865057 1.326494932 0.945334656 0.943681784 0.927994574 1.077592032 1.059093935 1.661075874 1.924826989 1.622738291 1.900207237 1.668827792 0.934359889 0.926557731 1.099287858 1.006151798 0.860465467 1.724553185 1.993169972 1.942232382 1.72660797 0.93199362 2-O-methylascorbic acid 0.63963238 0.788885308 0.785664055 1.121202455 0.815358573 0.744400965 0.634816759 0.638111587 0.63691871 0.738846221 1.051575943 0.919867881 1.031827028 0.747835971 1.062684962 1.357499199 1.286087446 0.824304679 1.432915834 1.262793985 0.722524398 0.835116655 0.667686301 0.666450407 0.745191097 0.872157113 1.346281893 1.24763597 1.464286915 1.18857438 0.994349662 0.989025438 1.226860918 1.12616225 1.005650338 1.461418964 1.173461575 1.098473856 1.691168832 1.37968566 carboxyethyl-GABA 1.359350516 1.157102989 1.558049491 1.575399253 1.593891517 2.198982528 2.374338999 2.326010715 1.510212034 2.431830505 1.184377088 0.89084225 0.945257792 0.738300974 1.121564414 0.877764015 0.83676664 0.694902523 1.171912387 1.105947471 1.150654243 0.94367421 0.858777607 0.838673571 1.12532024 0.799841808 0.835649012 0.882484915 0.806660332 0.801373986 1.072327435 1.06712234 1.011289036 0.988710964 1.090411781 0.575742501 0.676781696 0.938263498 0.867944145 0.853128114 hydroxymethylpyrimidine 0.72545293 1 0.734031583 1.053934717 0.885422323 1.548627909 1.373371619 1.464999753 1.064211 1.532263196 0.342570195 0.150905311 0.177266569 trimethylamine N-oxide 14.22857128 8.793301403 6.773279444 9.388689053 5.054567343 7.556727201 10.58100435 10.18146061 23.7651289 8.574448127 0.396048074 0.399283452 0.406354297 0.641023498 0.496543325 0.724031395 0.903232901 1.435552924 10.73663698 1.024417214 0.232422609 0.230626652 0.221683988 0.196206282 0.387284434 2.56030158 4.558072254 2.341852646 3.819824709 3.42702658 0.357452642 0.370906942 0.196133227 0.743218341 0.223266498 0.85196239 1.213845304 0.484405535 1.704890689 0.975582786 N6-methyllysine 1.940188666 1.818423588 2.735752991 2.799613894 2.118023704 2.494298274 2.370636792 2.152928219 2.580524838 2.738195143 0.77488488 0.68435107 1.039015609 0.727687056 0.815626394 1.296787046 1.693863902 1.464254963 0.925365354 1.375151323 0.713148062 0.641127086 0.721863683 0.693900321 0.824686733 0.850493533 1.234109076 0.993024026 1.006975974 1.328951824 0.508027818 0.549911325 0.630498188 0.572960483 0.704632367 1.414270785 0.984920725 0.650351058 1.144502194 0.832180384 cis-urocanate 1.373858459 0.455904321 2.406110592 0.891223533 2.140049801 0.994899806 1.771588344 3.614744546 2.552318832 0.888162613 0.614964586 1.161061155 0.762224376 0.813007615 2.538598699 1.839465959 0.694481105 1.620484775 1 0.843781508 0.706570355 0.412309647 0.673049757 1.817245502 0.991405948 1.531973847 0.707864707 0.975127907 0.754073081 1.233698415 0.77061758 2.154469778 1.589949221 1.284507988 1.327448345 0.863732831 1.863046825 1.116867061 0.907946564 equol sulfate 1100.408446 1086.940449 1110.212082 2007.034347 949.6527644 2269.400996 1481.624742 1407.581598 2055.020336 1454.609474 0.429496837 0.739975977 0.452311687 1.060147609 0.739892661 0.837734067 1.817981101 1.077435794 0.736365593 1.142894834 0.467905769 0.451131369 0.524519368 1.088016997 0.614126322 0.938033313 0.939852391 0.524713773 0.746127516 1.137645891 0.528643537 0.42692791 imidazole propionate 1.597513342 1.927241346 3.023947409 6.199869143 6.061172377 5.381035832 3.269400506 5.540877439 5.871913409 7.902191178 0.245652216 1.972165229 0.47916921 0.460872909 0.865326387 1.468314858 1.765827196 0.459540891 0.491223749 0.834288987 1.849176539 1.81953418 0.317832698 0.286620841 0.622665504 0.262102263 1.176801323 0.452194542 0.503058771 0.979062496 0.495856129 0.49871289 1.943637503 1.020937504 3.357242481 0.931535164 0.965259741 0.437692134 0.634958741 2.11729983 prolylglycine 0.881645686 0.736114239 0.971003921 1.381805611 0.999163394 1.687736086 0.899672535 1.678850865 2.360887843 2.364251139 1.101745147 0.778331095 0.940203689 0.838206848 0.872160212 1.54386229 2.069243762 1.549726747 0.499208156 1.591814963 1.300899118 0.602229962 0.670425091 0.673098503 1.240562054 1.007515424 0.934899818 1.044890378 1.168607624 1.000836606 0.620574798 0.851188424 1.016189823 0.705109978 0.771262409 2.799936885 1.447547135 0.893705516 1.072272526 0.953140339 N-palmitoylglycine 1.103905491 1.012411984 1.047517843 1.415952248 0.872687412 1.078373087 1.049537841 0.982073706 1.270416589 0.995916922 0.951285476 0.686311396 1.004083078 0.712312899 0.992594933 0.822388481 2.160125604 1.214737376 0.886061529 1.234066181 2.127489697 0.798627167 1.028227331 0.854651024 1.113890604 1.13042396 0.854344673 0.960820637 0.669404675 0.684109501 1.044865996 0.925322266 0.788172954 1.08389697 0.54153204 1.024225627 1.075864842 0.929209089 1.012230088 0.55627516 mannonate* 0.741207241 0.90638789 0.839864264 1.155240809 1.037634293 1.556767358 1.457069492 1.56600819 1.374501541 1.906375994 0.867814955 0.650187417 0.580491049 0.487095236 0.789854816 1.829678514 1.767230687 1.451186569 1.240301578 2.375020444 0.560234657 0.747469103 0.576758452 0.591328731 0.433055851 1.055192148 1.445318225 1.840497061 1.499212433 0.887779676 0.860710578 0.787914461 0.505026563 0.768947252 0.461136736 0.962365707 1.136851171 1.204197164 2.073456097 1.085785795 3-hydroxyindolin-2-one 0.478879049 0.793145539 0.775711837 1.077515055 1 1.140578666 0.838968179 1.23038793 0.65076805 0.642700398 1.106509236 0.486662677 0.697632114 2.873568465 2.840310534 1.665226256 5.384758697 1.368947993 0.412217793 0.555119375 0.474111493 0.610659715 1.076108457 1.660391075 0.8900588 1.505475927 1.548505659 0.873832202 1.084781352 0.765175875 0.495978008 0.900669149 0.497702444 1.55410162 1.440444431 1.1336674 1.856621662 taurohyodeoxycholic acid 0.647183435 2.223501263 0.445075816 64.2637737 7.501057778 20.17879081 2.024107621 2.729324089 16.52075607 1.323497827 0.393767492 0.212926676 9.944097048 0.232528955 0.311512751 0.320815383 0.469412318 0.466205858 0.570178786 0.277683001 9.970205784 0.310050889 1.7644304 1.322708435 13.04033373 5.337552397 1.303567462 0.928551208 1.037893983 0.402255222 2.804044888 2.857036161 0.527184583 6.9917082 0.41803455 0.157587778 1.606478396 0.962106017 0.65524033 0.588718858 lanthionine 1.053171798 0.895214481 0.393174912 0.677941863 1.556706013 3.114136283 2.127102567 0.685249021 0.549344651 0.685797981 0.999618266 1.200908782 3.066300694 0.766015258 0.831341433 1.835545125 1.272518006 0.526689694 0.560268483 0.667546232 0.465007871 0.490735156 1.484642398 0.951113776 1.03865897 1.308156546 0.323796124 1.000381734 2.143296871 0.780375853 1.510524222 2.401902906 1.105899584 1.01325691 0.316599681 1.072763653 equol glucuronide 0.395773511 0.425975101 0.370865485 1.605482463 0.237327127 1.839870922 1.121455686 1.268739599 1.33624205 0.878544314 2-stearoyl-GPE (18:0)* 0.50923859 0.881473333 0.972977117 1.124339291 0.886065585 1.100200776 0.746932658 0.631035342 0.981011237 0.920330371 0.751549078 0.898720958 0.798814738 0.775495218 0.846637029 1.647032916 2.985010123 3.019247454 1.244886475 1.341316605 0.829200317 0.889839808 0.668813726 0.927650673 0.707900067 1.266454513 1.034845101 1.344422445 1.548240731 1.174866626 1.41928125 0.652463013 1.018988763 1.047430678 0.835848757 1.638626613 2.506727082 2.290986769 2.555652001 1.220993117 (R)-3-hydroxybutyrylcarnitine 0.900934537 0.720596035 1.072731007 1.021797156 0.978202844 0.423285906 1.281500627 0.626724783 0.730593156 0.882189469 0.92715742 0.723021611 0.653250427 0.607493585 0.803448537 2.38866067 3.710748767 3.105851844 1.948404717 5.771823697 1.149018562 1.468079501 0.800079726 0.80420425 0.923509861 0.737150527 0.948900775 0.755575847 1.245485805 0.786870582 1.354360896 0.80796882 1.064865499 1.654786751 1.246527659 6.549240785 6.40561587 2.121976023 5.393220395 1.902359167 N-octanoylglycine 1.512657923 1.285916089 1.530487953 0.543454353 0.438138031 0.386124279 2.239420736 0.551118884 1.052488771 0.564692914 0.673285155 0.932658741 0.58940631 0.318556648 0.78501345 4.007412776 2.217013537 1.581208743 1.00248802 4.446468727 2.115338851 2.552377657 0.99751198 0.894659331 0.736754261 1.062151798 0.94959986 1.067974271 0.901509544 0.456626975 1.810294071 1.560379414 0.631459695 1.940083431 0.69722153 0.898606595 2.711754922 1.229122107 2.649340491 0.961456157 N-acetylcarnosine 0.639728492 0.711663959 0.478747331 0.293347925 0.858955595 0.467370725 0.9220825 1.111879473 1.815342473 1 1.26090328 0.724705598 0.834960321 0.504018235 0.841278047 1.598666631 0.575430022 0.645807877 1.316389833 1.551021847 1.247126475 1.958518523 1.664680488 1.755606059 2.772783425 1.71690747 2.053465686 1.650087951 0.939981604 1.322146953 1.91456971 1.191368013 0.745421159 0.708743437 0.995582292 1.091905791 0.840710727 margaroylcarnitine (C17)* 0.530096907 0.715681092 0.698142457 0.73281581 0.619359153 1.541047458 1.10318818 1.213835164 1.032449953 1.120982779 0.646053271 0.643866489 0.841988417 0.477100754 0.596892862 1.563396124 2.788936041 1.702727965 13.8006419 1.888481559 0.850288717 1.007192483 0.974313829 0.914325303 0.852755873 2.292587766 3.239288675 2.172704666 3.298623978 2.838259201 0.747630586 0.640358466 0.892630599 0.965625147 0.992807517 3.175388207 3.544110135 1.24780055 1.860820553 0.948896567 histidine betaine (hercynine)* 6.698704981 4.774160464 4.422400788 5.309352428 5.382819434 4.391319075 3.700361 4.769684823 5.836534028 5.658474393 1.71952126 0.319878182 0.617895665 0.79065165 0.901526485 0.348203 0.561431076 0.402763795 0.4753432 1 1.069646873 0.545861992 0.354638891 0.334330708 0.215185189 retinal 1.169311182 0.764831062 0.834618256 0.601558708 1 1.397050588 1.859240246 0.984076909 0.969003173 1.199094643 0.887670338 0.767668471 0.885234273 1.236064962 1.1899944 0.952529401 1.239873063 1.146462572 1.399654657 1.340862423 2.219525854 1.416847116 0.870337876 0.83100616 1.342962479 0.890591749 0.985000933 2-hydroxydecanoate 1.022573467 0.769451066 1.070234166 0.836311204 0.867359346 1.429405499 0.973900173 1.930389013 1.646238411 1.930592862 1.01033147 1.285196988 2.004542279 1.601863664 1.974978687 0.489007407 1.128918201 0.800874777 0.962639751 0.659174491 0.888236105 0.825021977 0.98966853 1.060758527 1.611659477 0.580112239 1.180987126 0.60933793 0.850489763 1.48291909 0.948035769 1.201449541 1.893302963 1.585933558 1.879345978 0.805339505 0.722489435 0.818116605 0.691809107 0.862022721 4-methylcatechol sulfate 6.497590376 4.195697156 2.724199673 1.052108656 0.624861751 6.163470593 5.842018033 9.08866965 3.138289486 5.263829109 1.218017566 0.997030036 1.840939131 0.91179818 0.733372174 0.478290891 1.053780724 0.672250786 2.59472137 0.622968394 1.919808222 0.646151925 0.572889909 0.618448025 1.341254767 0.678411545 1.002969964 1.023192254 0.658377029 1.010216051 0.653639044 1.454973301 0.576628878 1.03547796 0.380008916 0.707097015 0.639501759 0.784535069 0.995306089 0.748609479 3-methyl catechol sulfate (1) 0.760273089 0.464311817 0.831279719 1.270088307 1 1.726128342 0.864676394 2.727366529 1.331189434 3.634407862 0.218118814 heptanoyl glycine 0.971173567 1.036308965 0.940982723 0.747158202 0.822496263 0.594691834 1.380870442 0.401206243 1.731271944 0.728099906 0.53571801 0.811598359 1.057357389 1.090503007 2.217992839 0.870233253 0.593527306 3.791740536 1.482106233 2.673766816 0.734374457 0.822209476 1.115688115 0.578466646 1.028826433 0.827780095 1.287264922 0.417022978 2.35087948 2.315517781 1.319645775 2.085236556 1.59698613 0.702506344 0.815735044 0.844005284 2.377568047 1.708919943 guaiacol sulfate 6.891892894 8.59123506 3.356768276 1.597072176 1.61260076 11.32393218 10.34218475 16.30527194 6.261799314 9.575725007 0.599351431 0.414472343 0.755600852 1.450477161 0.532196794 0.647252849 1.108181229 0.756694154 1.007560456 0.965236728 0.4973594 0.733642175 1.2154174 0.909478366 1.132567405 0.665468359 1 0.610025016 0.68090429 0.596368016 0.382433058 2-aminooctanoate 0.989095136 0.72142392 1.060613232 0.790664977 0.804573685 1.072191686 0.86163692 0.986067485 1.0302499 1.192558309 1.535500676 1.556307722 0.949794492 1.39925359 1.511946057 0.401453608 0.442378708 0.426750317 0.560594327 0.495347193 1.071189004 1.290454218 1.44629841 1.597552112 1.51412787 0.78160163 1.010904864 0.736957085 0.778714019 1.133654957 1.266095773 1.464251455 1.404908379 1.618672847 1.873043125 0.783144864 0.722320172 0.886771183 0.415583579 0.944041676 dimethyl sulfone 8.808785546 12.48745632 15.01876017 12.5196762 13.46230159 9.750849453 14.31911856 17.67813496 15.59209551 21.88817375 1.149362629 0.968835727 0.835534907 0.987021571 0.773838439 1.240141046 1.22271562 1.33221891 1.763699542 1.201433563 0.670511533 0.668374664 0.537008576 0.4387062 0.866063894 1.258423145 1.321627614 1.012978429 0.764001142 0.418338569 0.633238254 0.486705532 0.376271774 0.788389038 0.39660732 0.459240674 0.57532783 0.51990721 2-piperidinone 1.762691836 5.637756448 9.529463966 25.7765993 2.182135751 29.47800743 8.939378045 33.9758796 1.4316787 2.250805462 9.788596217 3.059838222 2.720080508 1.035440317 0.539760763 0.935825322 0.618651033 0.44606799 0.350475348 0.98827449 0.765215336 0.703949926 0.787525826 0.832781111 0.722045941 0.879980483 0.490021118 1.214375567 1 0.905328322 0.414799454 N-acetyl-1-methylhistidine* 0.883284088 1.13437978 1.377825618 1.391933893 1.03600341 0.925723007 1.149127725 1.148916372 0.689852675 0.712713393 0.967335686 0.726830085 1.060128504 0.548386026 0.898606707 1.029539844 0.935173569 0.750345903 3.38769421 1.054561319 1.390041069 1.114101589 0.999357992 0.977414695 0.802763767 0.98205464 2.367154166 1.227218422 1.01828156 1.358959564 0.815825097 0.857599564 0.906785411 1.000642008 0.619298673 1.148883173 0.658336774 1.131270741 1.089879702 0.948711846 indolin-2-one 4.422901433 4.760692004 3.475716149 2.36102343 3.137789627 3.762493219 4.994264616 4.654975438 3.248516419 2.656596348 0.625229023 0.63681737 2.103672583 0.767785582 0.682423291 1.001568681 1.695800779 0.953739259 3.520219768 0.893301598 2.15345413 0.437214041 0.592026103 0.408172049 2.368403082 0.888069861 0.990580827 0.998431319 1.049303096 1.256577923 0.50134284 0.779331412 0.451319836 0.456829773 0.391358265 2.102147206 1.414965119 0.696572653 0.951620739 0.929354232 2,8-quinolinediol sulfate 10.35500346 10.16997389 6.255191771 12.24020714 2.355820646 11.84056954 10.82702386 16.59969178 8.866341866 4.777113571 0.095721341 0.690141408 1.533229113 0.790632606 0.852622977 1 0.162090743 0.196274715 0.147443641 0.115422536 0.390950596 0.281581425 0.094175801 2-aminophenol sulfate 153.3608627 138.7831123 39.10188112 14.27320561 12.87684064 166.9139812 293.3593208 321.8885205 112.1801326 148.5408604 0.753604194 0.817284712 1 0.822951199 0.509039396 0.526462879 1.647309382 1.339121887 2.99867011 0.890525017 0.76622851 0.446380387 0.40272531 0.76459024 0.854174697 1.020603654 1.015534654 0.931578136 1.059189731 0.470279855 0.628980032 0.32792383 1.33237607 1.03143551 0.428532881 0.621501812 0.596349549 3-acetylphenol sulfate 0.848375712 1.586061917 1.110094619 1 1.144397193 1.167702363 0.984822297 1.55738667 0.743385882 1.849276085 0.245496129 0.244619874 0.16922978 sphingomyelin (d18:1/14:0, d16:1/16:0)* 0.321003652 0.352928476 0.349242677 0.351828972 0.368543426 0.497926027 0.385455532 0.380345236 0.42418437 0.360417422 1.113182235 0.919323039 0.651789268 1.075540395 1.083365044 1.183620173 1.503423968 1.424706656 2.092009025 1.186602251 0.851052515 0.988605343 1.206087726 1.153439033 0.876139216 1.011394657 0.9289861 0.937119525 1.134872284 1.040736777 1.301237047 1.341778924 0.881979383 0.972962687 1.022814747 1.839419334 3.013371898 1.58181593 1.658948673 0.814458178 sphingomyelin (d18:2/16:0, d18:1/16:1)* 0.553399138 0.627846896 0.661498989 0.703019549 0.707636096 0.578492354 0.547038187 0.464502858 0.602398077 0.550756574 1.28456104 1.054722698 0.595597644 1.202485851 1.211331667 1.030217311 0.969782689 1.140302451 1.303216662 1.065776915 0.694189287 1.182510473 1.246798783 1.197079348 0.728651225 1.060468003 0.618264879 0.961754343 1.064356126 0.938267356 1.264892729 1.334694448 0.840680514 1.098392635 1.08590258 0.872948382 1.266019345 1.113165453 1.433676115 0.718090422 3-hydroxyadipate 0.406658189 0.357041333 0.441029379 0.998504573 0.612163548 0.657115402 0.63888578 0.714469873 0.533680197 0.771169376 1.162906765 1.123325597 0.867182414 0.426015322 0.970278354 3.414345344 8.352689955 5.101492821 2.554983709 6.002868471 0.777417824 1.895126691 0.985563111 0.724048476 0.632933582 1.001495427 1.036474701 1.499344777 0.952846907 0.906991741 1.487598533 1.241810537 0.968708577 1.078799018 1.500190473 4.649177094 67.00294755 19.27859439 9.086291101 2.5316099 1-arachidonoyl-GPA (20:4) 0.876744825 1.008842943 3.173386271 0.766421122 0.111630501 0.947278614 1.272359977 1.588803156 1.146639365 0.621404849 2.158045963 1.394862703 1.627119801 0.916789439 1.051422911 2.374501627 2.871637493 1.307332218 0.991157057 0.701032953 0.716559709 0.203472586 1.879198608 0.793768988 1.571315371 0.434594352 0.488312899 1.065726105 1.044272979 0.673671769 1.722359561 0.263655205 0.572543928 0.294477322 2.189923507 0.839305483 N-monomethylarginine 1.987182266 1.415858903 2.248380562 3.484392232 2.780840392 3.089199499 1.938598779 3.285147474 2.464032059 5.415586691 1.181977832 1.00989816 1.039810933 0.77797491 0.925426383 1.04995347 0.896361053 0.686945381 0.983859713 0.614832167 1.197179472 0.750447442 0.967634175 0.869035949 1.106943994 0.99010184 1.272029152 1.197981051 1.021055143 1.695432068 0.561028353 0.553674799 0.778170096 0.69728328 0.540076317 0.852837719 0.739278204 0.584915893 0.49229406 0.801682493 6-oxopiperidine-2-carboxylate 0.865545682 0.631029191 0.872564985 1.438421906 1.444319849 2.935378079 2.511314096 3.004158613 3.483973185 2.797080706 1.286914268 0.812186202 0.696308526 0.645092216 1.35876023 0.719740641 1.827364953 1.076889267 1.061047467 1.192351833 0.437593564 0.693954984 0.625337864 1.103771866 0.390047503 0.924147569 0.918399892 0.969576757 0.938659514 1 0.891350122 1.287481522 0.894171367 1.744983461 1.845928447 2.107941749 1.162050681 0.660269089 0.671178405 N-delta-acetylornithine 23.15191741 17.63756158 20.65708599 23.86852257 22.17514538 34.91633244 25.67795583 31.05494255 31.51465454 29.20492804 0.732140667 0.494233989 0.718914725 0.719723435 0.788602278 1.126058094 1.886909207 1.464932189 7.481494973 1.56946959 0.527446988 0.512946051 0.57666663 0.54067293 0.691025132 0.532187538 0.754653426 0.580241472 0.683185738 0.769181077 0.637487508 0.666892523 0.930971801 0.486275596 1.064911789 5.895953168 3.502572453 0.963774372 1.724372915 1.036225628 2-aminoheptanoate 1.465165156 1.070362651 1.309512938 2.196665986 1.231345047 2.537589239 1.465452548 2.304703825 2.506044629 3.18005635 0.881465645 0.666398524 0.599870002 0.70118905 0.94293795 0.808528554 1.119745699 1.198375565 0.879503591 0.93010604 0.589346627 0.656737324 1.146631607 1.173171033 0.927297926 0.707468696 0.991656236 0.496329711 0.62977621 1.308614503 0.523614476 0.444922834 1.009952621 0.606345719 1.008343764 1.780310437 2.143957788 1.079937902 0.623624145 0.967143325 benzoylcarnitine* 0.657696063 0.671414419 1.225194296 0.829267716 3.753381709 1.70366272 2.776834375 1.170732284 2.438178736 0.55043659 0.672279796 0.351910568 N-formylanthranilic acid 1.639276561 1.812658267 1.120253916 0.888997858 1.281859243 1.818462175 2.106600365 2.856810111 2.618470603 3.038635258 1.152717493 0.807007597 1.32288119 0.974792266 0.61196946 0.665177699 1.650424662 1.378288403 0.776409698 1.218066053 0.964919875 0.62152388 0.378104516 0.545291555 1.240163046 0.544605813 1.042213377 1.224157284 0.839953875 0.995107861 0.5210339 1.004892139 1.636403339 0.811482161 1.006535622 0.957372879 0.489317361 0.524087177 0.675325919 0.520340496 S-(3-hydroxypropyl)mercapturic acid (HPMA) 0.385579534 0.555619346 0.40061382 0.509879776 0.510033588 0.742743086 0.485833146 0.751342283 0.570769886 1.325272481 1.226244004 2.074380904 1.727529949 1.268152568 0.841784083 0.990477928 1.150332128 1.034709777 0.538851986 1.227776764 2.177580206 2.512269236 0.732519915 0.949848155 1.274973977 1.295270084 0.888192559 2.356764713 0.930474923 0.998663977 1.001336023 1.428632749 2.335746045 1.612712431 1.912623721 0.717560747 0.730951384 1.097493928 1.207189129 0.965485171 N2,N5-diacetylornithine 4.829902189 3.786724244 3.849734355 3.706031118 3.731356114 6.78599953 8.288266135 8.324081988 5.972545844 5.634014564 0.672944187 0.081497808 0.365260722 1.095947101 1.477821261 0.880167334 5.082132558 1.568945267 0.423102874 0.367589802 0.351965973 0.580755602 0.390275841 0.804542206 0.561453226 1.036400622 1 0.539716812 0.129818722 0.346138275 0.17827958 0.43078484 3.472383409 1.951159292 0.839578367 1.142598674 0.922625563 1H-indole-7-acetic acid 0.72302779 1.374871345 0.937473512 1.075709875 0.539111219 0.526200279 0.572788642 0.750136223 1 1.069685778 0.596082824 1.069912817 0.741629836 1.056759702 1.562102682 1.092616698 1.461463946 1.084034631 0.955227947 1.006341951 1.4093207 0.618256947 0.514893746 0.739783254 1.404568021 1-linoleoyl-GPS (18:2)* 1.630481508 0.666320118 1.810725884 0.649557274 1.047064458 0.894528421 2.20357218 3.944887041 2.668562951 0.892764526 2.0951452 0.970422634 0.933439245 0.818026774 1.706293951 1.983482466 1.799383221 0.815118099 0.988890966 2.040114011 0.605506623 0.730381048 0.731654323 0.815468542 1.58398944 1.211620681 2.537906222 1.430250216 0.765180011 0.876959559 1 3.143728243 0.541597552 methionine sulfone 4.874470711 4.178447964 5.73281217 8.435281844 4.926052953 16.87046141 10.38398939 16.30032593 9.546117183 15.02216025 0.71023258 0.494988374 0.682822057 0.625461104 1 1.84760567 1.512147226 3.147563395 1.424764249 0.336631233 0.504871846 0.435431852 0.680326472 0.785597884 1.156707055 0.743513865 0.822435036 1.394241063 0.372343327 0.721121786 0.355300391 0.932104405 2.665670024 2.166883723 0.624162172 0.835836873 0.566146639 1-linolenoyl-GPC (18:3)* 0.741493953 0.902805803 0.795037595 1.020543246 0.923295568 0.98294654 0.756119019 0.882193127 1.455298539 0.845840989 1.048104748 1.309561911 1.085825179 1.295106855 1.077650515 1.36867333 1.731052286 1.794376898 0.643798345 1.40381463 1.235554157 1.01705346 0.969932055 1.017945724 0.978193183 0.874970384 0.59114303 0.756491141 0.665290185 0.655126643 1.073913757 0.908744954 1.160556137 0.980694467 1.143581879 0.921136272 1.413914241 1.174867109 1.277793663 0.918625893 1-(1-enyl-oleoyl)-GPE (P-18:1)* 0.526592312 0.925159338 0.884732932 0.735571732 0.740102883 1.079327231 0.904588128 0.495348444 0.717445101 1.118487103 1.010050199 0.64102009 0.80530269 0.68699898 1.06997447 1.069444215 1.653287905 1.116093186 0.598429431 1.293346442 0.76067004 0.86793633 0.669618084 0.785130691 1.644802466 0.897105785 1.925419062 1.198848164 1.231735486 1.544601746 4.165051977 1.220249544 1.694594468 2.529303032 1.339949481 0.508171845 0.913627464 1.885991022 1.163038019 0.989949801 fructosyllysine 1.091061985 0.561269698 0.674500582 1.084079101 0.958872066 2.699515003 1.646646619 3.25825188 2.219529645 3.213281705 1.585850701 0.714525897 0.922325091 0.382638739 0.77376387 1.27309899 1.540055351 1.081840894 1.98054834 0.991162596 0.372509723 0.345860587 0.358823688 0.371015069 1.074808786 0.680317702 1.610233513 1.120804107 1.247539043 1.575032308 0.383559603 0.487178015 0.853846945 0.520846434 0.745851026 1.712566473 1.637819704 0.782981905 0.65707783 1.008837404 N-methylpipecolate 1.441797627 2.915683916 4.331664183 6.966416512 3.049259559 3.812200926 3.439357094 5.113218977 2.312641093 5.34725745 0.871662788 1.045877677 1.19023525 0.874940076 0.876835848 0.79939684 0.873632647 0.835111437 1.297265731 0.869488098 1.204150651 0.753819871 0.909416974 0.969850692 1 1.12905194 1.024326892 1.119250582 0.605169574 0.894355394 0.830779489 0.633527704 0.40354226 0.425925442 0.944233803 1.187202015 0.901119159 O-sulfo-L-tyrosine 0.806602682 0.877908924 1.23008917 1.062574365 0.963101218 1.480558165 1.189737935 1.227243891 0.934414267 1.194312164 1.087555646 0.92072153 1.039730447 0.739595671 0.878115853 1.149541896 1.169663059 0.8979838 4.161892315 1.44810292 0.805510857 0.730577905 0.699685522 0.569094003 0.944948608 0.924890069 1.830208971 1.367419509 1.348583486 1.251563542 0.690586073 0.741305561 0.846499217 0.753887414 0.658294194 1.815516983 1.576404601 0.917149275 1.036898782 1.118279219 ferulic acid 4-sulfate 5.978372144 2.57263489 7.167292586 36.78340513 15.57658963 48.0233929 9.414985364 27.5033562 37.63818079 38.29733409 0.156620211 0.274720608 0.240234174 0.266367251 0.940780287 0.07890253 0.106999869 0.22138844 0.21635895 0.467843943 1.651147713 1.061421644 0.939322819 0.943649788 0.133824981 0.592134213 1.420200096 0.493120713 0.216928656 1.056350212 1.117364673 1.271866836 1.407012976 1.815216043 0.463223382 0.09453624 1.067842195 0.708623356 3-(3-hydroxyphenyl)propionate sulfate 12.41535054 7.690049278 7.368433151 5.657481335 5.655982283 18.60788637 19.82540746 30.07967312 6.153790366 13.53405728 0.104052943 0.148231249 0.919769994 1.390621054 0.441524046 1 0.951395769 1.919773232 0.175207698 0.274090047 0.101362421 0.123916183 0.189693132 0.268077653 0.118327926 N-acetylmethionine sulfoxide 0.93591821 0.417802024 0.562127473 1.58719323 1.758316635 1.769294688 0.628392091 1.442295708 2.176419077 2.481829484 1.613393545 0.889580277 1.653818988 1.012710253 0.899823265 1.235850775 1.678788867 0.968305864 0.933284755 1.879193473 1.11612128 0.597062292 0.685835914 0.649120957 1.171551661 0.640635736 1.304202341 0.571357348 0.764865115 0.877323848 0.791343477 0.987289747 1.34944087 0.815901079 0.851289722 1.347651144 2.268433382 1.351147502 0.986299006 1.01582949 N-acetyltaurine 0.916419926 0.992931242 1.09999702 1.14226961 0.773415243 1.979122352 1.742953402 1.602010432 1.793945477 1.616901372 1.025458342 0.757355476 0.898366124 0.489831362 0.773334128 0.976394862 1.638844338 1.172491776 2.286482496 1.505582159 0.811598619 1.040853389 0.643484375 0.60275185 1.116504413 0.724805857 1.178312397 0.91371004 0.866889662 0.904425487 1.007068758 0.932659465 0.94549765 0.902211745 0.873783563 1.113853621 2.641899897 1.218284532 1.332760013 0.733365477 1-oleoyl-GPG (18:1)* 0.337676676 0.643156292 0.200255907 0.44319644 0.834657638 1.338129424 1.430042935 1.234176585 1.350394764 1.490797745 3.935593605 3.699514325 0.625497697 1.693956435 0.805865932 0.515909705 0.670092239 0.821902724 1.146539984 0.824205453 0.695460539 0.826642491 0.779290306 0.823879071 1.155256997 1.110711557 1.724200977 1.00448776 0.776624367 1.143985968 1.448711006 1.447975923 1.265914398 0.99551224 1-palmitoyl-GPG (16:0)* 0.450740042 0.63456435 0.454545794 0.603829414 0.43978107 0.303792676 0.439163382 0.432842048 0.724779108 1.126041881 0.978673591 1.182742109 1.203922814 1.539690783 1.482263277 1.53171564 4.107333171 4.199009956 0.671732701 2.156269964 0.650556977 0.542904999 0.991662464 1.036367599 1.878766368 0.968469293 0.704054197 0.775568964 0.961983574 0.874797477 4.288103911 1.313465215 2.819484555 3.090051619 1.18905099 1.008337536 1.176268844 1.978438222 1.167140518 0.949721978 1-palmitoyl-GPS (16:0)* 0.837749636 0.807952893 0.501815 0.618294255 1 1.235938184 1.230073428 0.464332588 0.928948955 3.769642794 0.808473153 1.354510305 2.737871425 1.153748832 1.004942476 N-linoleoyltaurine* 0.92124713 0.680237305 0.524976535 1.255367126 0.619404437 1.593779686 1.182025755 1.102984632 1.521693568 0.868093451 0.85058666 0.936577109 0.860674116 0.79928178 1.064760501 0.735201444 1.657718026 1.318787177 1.343172295 1.284290463 1.278160459 0.944012064 0.935087562 0.805673058 1.135981858 1.096080745 0.788105208 1.140819691 0.954580889 0.796782635 1.045419111 0.947935437 1.075085092 1.065656501 0.815002251 0.882442232 1.291244049 1.488489026 1.234560328 0.63098286 methyl glucopyranoside (alpha + beta) 745.1271482 662.8046749 480.9436026 470.4955177 650.7448751 21.70272481 7.721330397 28.84530275 11.83024479 28.25757147 0.90561602 0.585773362 2.343302342 1.03482839 0.924189745 0.922104361 1.285003647 0.597627123 0.96517161 1.28862917 0.674761544 0.097400528 0.802748883 0.218611255 0.794587915 0.71317297 0.537607721 0.146387577 2-keto-3-deoxy-gluconate 1.196851621 1.069756276 1.165455984 1.376641388 0.897349458 3.112771007 2.486204196 3.18359537 3.224900531 4.173178171 0.664134845 0.424894234 0.551503154 0.503232205 2.396190461 2.074973927 0.843254007 2.453695607 1.768967214 0.385415133 0.361416613 0.461661006 0.685328159 1.144344527 1.531925745 0.654996675 0.857018721 0.424063062 0.409679692 0.6655343 0.311245617 0.930243724 1.887752411 1.326917461 1.08322032 0.514736382 sphingomyelin (d18:2/14:0, d18:1/14:1)* 0.804718603 0.847624343 0.787751631 0.741462776 0.80073036 0.642394535 0.73125736 0.883541896 0.692930973 1.642504346 1.280240089 0.68447786 1.404090578 1.567769761 1.077197155 1.111656791 1.423608905 1.374278051 1.16388946 0.881041943 1.234152165 1.509840938 1.480666249 0.843222557 1 0.686984823 0.926393899 1.111944169 0.921041195 1.74092774 1.46423665 0.7695744 1.335556812 0.928499 0.839245995 1.914936169 1.577489206 1.701718192 0.973262182 sphingomyelin (d18:1/24:1, d18:2/24:0)* 0.98843426 1.17830521 1.583819941 1.524737562 1.415801225 1.589884984 1.11437263 0.870746647 1.272561528 1.159863496 1.035243071 0.811746083 0.599141719 1.07522561 1.01156574 0.859573922 0.777603072 0.871918878 1.339195162 0.866397136 0.700224084 0.969943176 1.102818464 1.018115249 0.76688181 0.954267434 1.072170772 0.848654569 0.978591606 1.190281054 0.869158281 0.923252122 0.86962676 1.041031736 0.895142588 0.92203283 0.884199153 1.122438645 1.673566761 1.045190445 octadecenedioylcarnitine (C18:1-DC)* 1.239101164 1.101634259 1.387374098 2.053314645 1.058628222 4.545822097 3.569197181 3.295804639 2.710764741 2.251880947 0.933535569 0.892399147 1.385467728 0.835717725 1.031814077 0.394564641 0.879052108 0.450528111 1.949726235 0.44062871 1.598275446 1.005090595 0.944189676 0.978594996 1.725036786 0.929036732 0.842877638 0.77978856 0.801804925 0.845597523 1.026621793 0.994909405 1.010790102 1.28924261 0.977342868 0.766350858 1.228341691 0.922986826 0.570352519 0.636293801 octadecanedioylcarnitine (C18-DC)* 0.810624716 0.769718555 1.121154314 1 0.875162494 2.552996755 2.055839736 1.755434955 1.550296452 1.5823936 0.699896427 0.770495355 1.50716558 0.892167535 1.0364356 0.584148004 1.0705408 0.841775965 2.476833406 0.621703886 1.437628806 0.909595324 0.843176318 1.243788245 1.727655122 1.070736321 0.76984538 0.864546233 0.725055221 1.10986694 0.868387956 0.919017322 1.00174912 0.743180545 1.020534988 1.079180714 1.613058688 0.727633985 0.694347858 myristoleoylcarnitine (C14:1)* 1.018394722 0.82988078 0.799425142 0.679559116 0.370652332 1.31144582 1.46779706 1.11914496 0.683942786 0.63325233 0.526912734 0.738857512 0.793876276 0.416640734 0.715633795 1.737449691 2.251610484 1.105653827 6.684124762 1.198539258 1.395936941 1.069939815 0.851089263 0.877841237 0.861839527 1.422529753 1.95251022 1.214273409 1.397555793 1.276056403 0.945665812 0.781350505 0.785717752 0.981605278 0.68252323 2.802539101 2.743085664 1.116308415 1.777373937 0.860698399 N-formylphenylalanine 1.628843939 2.457789946 2.000813787 4.170233309 1.964565762 0.420231585 0.991248336 0.778077393 1.009703381 0.798546217 0.78709802 0.394783484 0.871883642 2.858683733 0.706615816 0.567734016 0.608961318 1.104916518 2.10834408 1.161123027 1.008751664 0.936945262 0.983634596 1.009855104 0.974972586 1.080295998 4-hydroxycinnamate sulfate 0.67270854 0.239606353 5.330824266 5.694407697 1.671780839 5.894151561 1.009088454 4.526864868 7.281277482 9.394535463 0.154291033 0.489802075 0.408553556 0.913078173 2.459880319 0.421695234 0.267208102 0.399014072 1.251726806 1.151191153 1.157936974 0.959985157 0.246699119 0.990911546 3.096102298 0.676075417 0.402356813 0.957852198 0.766368646 1.063172678 1.155668254 1.457371755 0.562630387 0.1904397 3.063589012 1.667355026 3-hydroxypyridine sulfate 7.195544957 4.594773544 34.93467382 38.41336513 21.91502719 61.46102289 29.42294004 106.4714921 26.99077737 101.9514209 0.46515094 0.562869221 0.380431052 1.01145376 1.756652756 0.25044713 1.296695753 1.332177118 2.915018156 0.903275342 0.47549365 0.98854624 0.957472946 1.115106679 0.859348183 0.346105902 0.625548751 1.892417755 0.759624591 0.679619894 0.287084711 0.589724134 0.892824237 0.573139667 0.852528318 1.104068434 0.633217712 0.215083193 1.044830452 1.382770582 maltol sulfate 0.277894795 0.201835938 0.688991731 1.187199066 0.812800934 4.162964737 3.068714856 3.926193353 0.509835025 4.611471307 phenylacetylcarnitine 1.472862471 1.832516275 0.982186157 0.668827917 1.078276139 1.353990406 1.744606758 1.363725917 0.52797106 0.800229303 0.238106534 0.400625313 0.240155768 4.137173506 0.476094462 1.117270894 0.61325479 1.208082945 1 0.269899317 2.205961229 0.222414407 1.266614612 arabonate/xylonate 0.890220047 1.022492011 1.308977785 1.370025422 1.001438874 2.05877812 1.993472393 2.017580353 1.828080465 2.158582368 0.872294241 0.603570008 0.859766989 0.754795291 0.988285613 1.24921252 1.360724711 0.998561126 2.244449523 1.279196149 0.674748067 0.676430312 0.712111682 0.756870655 0.820290902 1.092921405 1.210849028 1.354560491 1.200407698 0.892968464 0.84714037 0.949675801 0.860780217 0.899967752 0.798480483 0.924932749 1.027516699 1.078082172 1.073402861 0.638246146 methyl-4-hydroxybenzoate sulfate 0.505565553 0.444655302 0.450348461 0.854039198 0.695559991 1.4589929 1.223400844 2.857599058 1.145960802 2.039250074 N-acetylpyrraline 8.884488937 3.008496177 6.028776181 18.85699334 17.34125078 31.08281925 8.948136382 31.56168347 22.85923436 37.82467093 0.335389654 0.522465615 0.314210779 0.439313903 1.175821605 0.89767648 0.389518919 0.78829744 1.363550171 1.3965375 0.498294608 0.485550343 1.614051937 0.241747011 0.28581631 0.644502727 0.809168483 1.922216886 5.268146725 0.381502961 5.317929396 1 0.50501767 0.268959403 0.347776834 1-dihomo-linolenylglycerol (20:3) 0.973913775 1.156982603 1.497879636 0.995494624 1.900851021 0.396321428 1.004505376 1.348242623 1.137451079 1.106685591 0.798284437 0.683022133 0.711312485 0.800854915 0.793679055 1.137237834 2.59934844 2.087337879 1.103634167 1.588123043 0.694961995 0.679033414 0.886378089 0.340383005 0.488218037 1.610753323 1.330146475 1.273976315 0.622471033 0.887261436 0.990020654 0.648623844 0.60939556 0.786186635 0.36246906 2.28792046 4.382232999 1.578727364 2.237279915 1.694584447 ribulose/xylulose 1.037431001 1.526292021 1.643949018 1.668374524 1.32489043 2.104992641 1.744867492 2.429535435 0.6172655 0.429171554 0.948696039 0.912431407 1.263855903 0.863723347 0.568966806 0.962568999 1.066164598 0.593418304 0.651099928 0.908734117 0.531259645 1.303843817 0.391808781 0.813579256 1.200625095 1.199039614 1.498643569 0.807627204 1.739227338 0.471524694 N-acetylhistamine 0.142289632 0.37657672 0.427033692 1.240289577 0.759710423 1.295930871 1.374746503 1.28346446 N2,N6-diacetyllysine 1.397901617 1.049593764 1.25198243 1.514313607 1.571466832 2.443777978 2.389480687 3.041719583 2.698629917 2.793872949 0.718821391 0.717762449 0.739629963 0.558847161 0.599269602 0.932404229 1.698379375 1.262167029 1.174746342 1.487057586 0.805575611 0.677971917 0.464312558 0.501064495 0.583753269 0.830454567 1.553445078 1.089695314 0.950406236 1.050210863 0.469641824 0.641052129 0.796595589 0.507129343 0.600358164 1.35611909 2.145497092 0.866261109 1.108835251 0.801621242 4-vinylguaiacol sulfate 0.616012231 0.486708143 2.457970769 1.010246907 0.625796466 3.516950964 3.718690331 5.100282536 2.871618908 5.959571335 1.535401504 0.989753093 0.658474777 1.038547443 2.471273195 1.949669671 2.283089902 3.133693607 7.179406605 2.9747268 0.669137386 0.988376818 0.892544864 0.833393222 0.795942572 0.669156174 1.04272324 1.487025203 1.291049281 1.986706969 0.286824163 0.617012732 0.861548145 0.618558105 0.957234486 0.709744544 0.88037446 0.494420919 0.260848734 1.943516359 vanillactate 0.886981518 1.925302132 2.268487216 1.900402842 1.539525092 2.618069192 2.418672443 2.632745602 3.70926537 0.741492743 0.907062896 1 0.963035689 0.718536812 0.774165469 1.004858398 0.603878621 0.862244175 1.316969979 0.831109941 1.206664103 0.879289054 0.448268184 2-acetamidophenol sulfate 0.648654605 0.677893799 0.221703612 0.587835124 2.083084368 1.895096435 1.629421387 1.146401669 1 p-cresol glucuronide* 0.012854204 0.014952428 1.048538133 0.28744441 0.00815013 0.022726316 0.044099049 0.034656517 0.031143005 0.022547346 1.076807813 1.098017132 1.375147693 0.804891307 0.78390449 1.327491468 2.075866946 1.261248507 1.226816846 0.972001716 1.406758844 0.930245488 0.830408065 0.929435352 1.393595723 1.390451263 0.835014222 1.690901133 1.307855228 1.265543526 1.027998284 1.635972372 0.474953349 1.328142244 0.33143456 1.223991369 0.553065329 0.748631317 1.54204475 1.248631317 benzyl alcohol glucuronide 0.220806948 0.222131434 2.327879439 4.562860362 5.089953017 0.725383343 0.278945946 0.356319643 11.17323089 5.276830723 0.179154833 0.305086421 2.050903747 3.731755372 5.686320895 0.138174845 0.595247666 0.211410347 0.419855427 2.459649308 2.826604374 3.040729587 0.119058758 0.399691612 1.223943541 1.352893112 1 0.83797123 0.210316493 0.580269773 0.905711104 1.580348847 1.59201882 1.161013989 1.076444579 3,4-dihydroxyphenylacetate sulfate 0.480656769 0.346875592 0.759621368 1.137000862 0.862999138 2.09346748 1.563699893 1.749266584 1.284611609 2.091905953 0.801620278 0.392144434 6-hydroxyindole sulfate 2.506719194 3.488999913 2.250111375 1.120911346 2.134776456 3.264293968 4.53854255 3.966483403 2.427290526 2.022353501 0.616472564 0.900206364 1.677997607 0.967215661 0.664152979 0.753351916 1.640224013 0.976221241 2.412051364 0.977825723 1.192478054 0.367948602 0.355433645 0.442072239 1.189166677 0.809553152 1.305495008 1.080573995 1.022174277 1.580574848 0.428990593 0.930865618 0.431062764 0.628120418 0.3466841 1.344763842 0.974586035 0.750453607 0.785496169 0.588278067 4-methoxyphenol sulfate 0.639347299 0.652991987 1.071478474 1.38331622 1.584503911 0.788136849 1 sphingomyelin (d18:1/20:0, d16:1/22:0)* 0.326489694 0.446395952 0.473686805 0.490230785 0.493462685 0.289548773 0.227718119 0.197822986 0.314153974 0.270950398 1.749712697 1.250813225 0.733544796 1.276069403 1.444308329 0.988913611 0.679777181 1.011086389 0.592868354 1.117788328 0.786494619 1.543408619 1.864459491 1.765707311 0.956989367 1.578891204 0.626708514 1.739683757 1.230587686 1.052858125 1.734687882 1.6056018 1.07365145 1.327064993 1.235850667 0.613201176 0.79164919 1.470270361 2.174598884 0.741683406 sphingomyelin (d18:1/20:1, d18:2/20:0)* 0.663515247 0.748192802 0.772433725 0.673411781 0.814765506 0.435098483 0.492687602 0.430130767 0.428335532 0.548328572 1.870357186 1.39224118 0.835052301 1.495306365 1.805870314 0.783249795 0.607364292 0.876143284 0.600789447 0.928411114 1.071588886 1.664579978 2.174012062 2.107123037 1.313832644 1.374940818 0.574313484 1.473667844 1.188169477 1.072872285 1.947686276 1.761305963 1.118711596 1.420254916 1.242418795 0.448960053 0.588318911 1.499581959 1.381079358 0.667336218 sphingomyelin (d18:1/20:2, d18:2/20:1, d16:1/22:2)* 0.869670333 1.047294041 0.684934864 0.856547639 0.797630521 1.499738294 0.991401083 0.94638347 1.435341963 1.357390914 0.966879632 1.24397245 2.143477286 1.209344156 1.336284105 1.221170782 0.680182613 1.003796816 0.739697916 0.928545911 1.040074275 0.962206308 0.441215812 1 1.78233525 behenoyl sphingomyelin (d18:1/22:0)* 0.365944967 0.566269416 0.569150693 0.566904167 0.588315667 0.354532738 0.276824687 0.246104029 0.410786124 0.324944059 2.645701585 2.088618734 0.799743906 2.213427054 1.962658453 1.012723383 0.628449988 0.854699217 0.532883222 0.976935918 0.930477366 2.158147438 2.247855902 2.183256266 1.123519586 2.36345418 0.78909532 2.08013762 1.77073808 1.457406669 2.537835385 2.308956045 1.77912372 2.187879519 1.873388658 0.54236146 0.762475374 2.01871117 2.140269241 0.987276617 sphingomyelin (d18:1/22:1, d18:2/22:0, d16:1/24:1)* 0.515532703 0.78443975 0.786988538 0.714833783 0.907350972 0.508289218 0.386623372 0.337148397 0.500346297 0.43212601 2.300466954 1.681978772 0.844636278 1.979602843 1.915151332 0.644605237 0.468169807 0.632822001 0.427174896 0.698215343 1.092649028 1.910863945 2.213298364 2.111550744 1.245167488 1.570283835 0.608287333 1.430925479 1.194148323 1.103041051 2.375960902 2.187443831 1.299005916 1.857078046 1.491052441 0.401468634 0.538558917 1.713796563 1.23416507 0.702364738 sphingomyelin (d18:1/22:2, d18:2/22:1, d16:1/24:2)* 0.802901549 1.023904664 1.129825238 1.036792898 1.133193568 0.849891461 0.707184057 0.678678098 0.578445636 0.736471039 1.767630568 1.322324871 0.745448463 1.512894365 1.656741472 0.51269979 0.482152719 0.557236652 0.686757581 0.5724791 1.075726858 1.304652905 1.92321704 1.897672427 1.164225899 1.043659109 0.66381167 0.885078098 1.023116706 1.125027139 1.856930448 1.765857723 0.941318655 1.379347441 0.976883294 0.403236995 0.450043107 1.461930478 0.866342475 0.732982571 lignoceroyl sphingomyelin (d18:1/24:0) 0.761248899 0.942828487 1.021753357 0.996659903 1.089370118 0.972386276 0.803733044 0.734506685 1.200639856 0.890237367 1.179238693 1.039117954 0.656600832 1.116099889 0.930201505 1.024672979 0.82814015 1.003340097 0.803962006 1.022126381 0.564417008 1.093748046 1.024759499 0.976205243 0.72761507 1.186488403 0.892015757 1.22463293 1.057948528 1.170031105 0.906049298 0.957406303 1.054094831 1.104154964 1.113798588 0.74046174 0.893409148 1.096947697 1.888908784 0.780375579 sphingomyelin (d17:1/16:0, d18:1/15:0, d16:1/17:0)* 0.605372566 0.559473206 0.451725248 0.432548251 0.548252813 0.669595818 0.502611781 0.570452618 0.627489275 0.587523451 1.060005073 0.894307563 0.641432231 0.98053902 1.109873151 0.770311772 1.12001621 1.04346036 1.334417057 0.987970941 1.012029059 1.211729277 1.526825927 1.502567272 1.121116815 0.872824848 0.926885239 0.852586253 1.037078296 0.914356065 1.454852004 1.437641124 1.291035307 1.274135291 1.338962221 1.193507617 1.631165388 1.385658893 1.210921137 0.719041443 2-docosahexaenoylglycerol (22:6)* 0.815777243 1.05313117 1.265495971 1.126425414 1.988990805 0.415118402 1.639020364 1.918135613 0.754425429 0.992318475 0.637165049 0.706023639 0.895938756 0.871786196 0.61610592 2.737813108 8.194852709 5.889725867 3.140769714 4.051666251 0.844257632 0.962852798 0.773331797 0.657904423 0.304911194 1.863889023 0.95959949 1.481634611 1.007681525 0.855690687 0.608550809 1.047290087 0.401528869 0.873938957 0.643697691 3.631706927 9.536297624 2.379830233 3.815795834 1.40102693 dopamine 3-O-sulfate 1.151361801 0.554329903 1.689448646 1.465419533 0.70119975 2.493584276 3.870320881 3.93934914 2.828680275 3.518507989 0.88673452 0.441651978 2.046454768 0.399025796 0.742214894 1 0.616042152 0.511362559 0.746460454 0.398286613 1.38352192 1.323458615 0.677659635 daidzein sulfate (2) 0.258986259 0.049823014 0.27864977 1.335827677 0.664172323 1.794347705 0.283638964 1.519597625 1.692681091 1.446104177 3-hydroxyhexanoate 0.869378198 0.695567768 0.579427427 0.678689557 0.787281441 1.709412089 0.854523578 0.841327613 0.648435905 0.636669765 1.24986558 0.749042608 0.862905101 0.590381439 0.898055454 1.257657825 1.045375243 0.871365894 1.987457627 1.209070711 1.140878849 1.014152421 1.010962238 0.895144953 1.68172943 0.777052812 1.38063171 0.910304683 1.223875976 1.26806593 1.137790368 1.038463926 0.989037762 0.944814904 1.030164662 1.464240552 2.351801153 1.270781999 1.242734405 0.955629822 3beta-hydroxy-5-cholestenoate 0.755694587 0.76471702 0.632459354 0.717077588 0.874006997 1.146853262 1.221263634 1.220967277 1 1.49146738 0.551743157 0.490677094 0.509364067 1.308409138 1.264770529 1.45223297 2.196954106 1.698234205 0.753430747 1,2,3-benzenetriol sulfate (2) 5.184780488 2.217443902 8.604702439 14.53816585 8.941190244 93.56552195 22.86058537 93.62593171 28.02452683 65.13715122 0.601521951 1 0.931512195 0.809053659 1.746653659 0.701736585 1.238829268 1.534653659 0.965970732 0.792409756 0.575960976 0.698068293 0.554146341 0.879707317 0.713209756 0.367707317 0.459726829 3-methoxycatechol sulfate (1) 0.509245795 0.316888649 0.497747212 1.521078981 1.04447704 1.709951198 0.146413322 2.265730057 0.95552296 4.158972535 3-methoxycatechol sulfate (2) 0.780644253 0.824512273 0.598452729 1.173618173 0.826381827 4.269755472 3.016951141 4.608879989 1.676864469 3.887639043 0.245560788 0.181323237 N-acetylkynurenine (2) 0.841415794 1.261721416 1.929193339 1.752215959 1.04475223 2.174943719 2.310112159 2.407632387 2.691381245 3.491686506 0.846703738 0.653917717 0.934482345 0.646630076 0.543439796 0.96703579 2.248011183 2.292276226 1.875997593 1.700329992 1.489202807 0.963384539 0.473930178 0.528000526 0.907284775 0.810225199 1.953068696 1.017062166 1.117333568 1.121432734 0.456053911 0.81893513 0.982937834 0.604105746 0.63692242 1.649617945 2.3236324 0.978836546 0.896511464 0.838758023 C-glycosyltryptophan 1.097932776 1.463644778 1.337623916 1.489419608 1.18985748 1.291990568 1.293089165 1.002528116 0.958247872 1.572319572 1.229999121 1.359801767 1.013696975 0.997471884 1.019135606 0.922187922 0.681996083 0.594946005 1.143874985 0.898188242 1.187717837 1.010708125 0.966926662 0.897836537 1.206620359 0.847600975 1.030409336 0.965044083 0.925985692 1.023945646 0.958974302 0.967206107 0.950206626 1.018772391 0.796111426 0.520612286 0.380617881 0.86401215 0.57863075 0.624885656 arabitol/xylitol 0.947401716 0.941166363 1.14086301 1.452329357 1.289159778 2.134141293 1.759851237 1.702010631 1.941226092 2.303751598 0.695847364 0.748377681 1.156704431 0.755046731 1.004613255 1.085771703 1.204702407 0.967634247 2.437656329 1.17837752 1.052327591 0.720683441 0.739134106 0.712327268 0.955687273 0.748909063 1.116367065 0.877371101 0.909002158 0.995386745 0.7413685 0.751768405 0.933843531 0.959442255 0.872746959 1.373548887 1.826184539 1.098194155 1.138834579 0.86438549 N-acetylglucosamine/N-acetylgalactosamine 1.198893881 1.153036828 1.33938575 1.376829093 1.234574759 1.218386001 1.311789065 1.183268809 1.03741142 1.800863339 1.066022068 1.154092165 1.040981293 0.809559522 0.925326272 1.051483625 1.022045929 0.756591496 0.716216103 1.161717261 0.982828781 1.095725855 0.907933695 0.861252744 1.004802674 0.749117193 1.280091374 0.995197326 0.897294642 1.031016395 0.825177454 0.882329444 0.994343396 0.972914287 0.970219556 0.720962912 0.643265356 0.896810972 0.961155002 0.827030226 adipoylcarnitine (C6-DC) 0.285709185 0.334870247 0.391243366 0.471600201 0.509975605 0.573745145 0.428324578 0.50110755 0.507120877 0.506062788 0.920242712 0.67711396 1.176005499 0.428172277 1.050137717 1.25559828 2.499361558 1.4164934 1.003995343 1.654502954 1.634721353 1.141791767 0.689960415 0.695395509 1.101910117 0.762771443 1.048948825 0.943687546 0.980408046 1.095874564 1.162447822 0.829436518 1.070604672 1.066762905 1.191338681 1.593867602 3.434820858 1.671653543 1.858611393 0.996004657 nonanoylcarnitine (C9) 1.509942785 0.634533637 0.999737249 0.44816777 1.026611183 0.706319672 0.796502356 0.808140802 1.220346302 0.837915182 0.403504162 1.041268212 0.940070352 1.330534729 1.962836001 1.011840093 1.31171442 1.239618787 1.354390081 0.6082015 1.032355044 1.033960066 1.36422797 0.735083785 0.729401029 0.927580511 0.589478959 0.707142552 1.000262751 1.063758888 0.842514344 0.978370903 0.370674537 2.532215521 2.560136386 0.912581295 1.968099169 1.334148065 suberoylcarnitine (C8-DC) 0.481827489 0.98556999 0.517794827 0.814616667 0.484173185 0.624285991 1.257332056 0.849440029 0.542086749 1.66709065 1.311329883 0.772397261 1.57055816 1.072779002 1.156318865 0.556885078 0.716041252 0.678766067 0.446746615 0.660418761 1.01443001 0.67110783 1.566136765 1.086679943 1.323656102 1.063129343 0.878034734 1.363320681 1.769171343 1.100790014 1.860146267 1.169706343 4-hydroxyphenylacetate sulfate 7.506977321 7.843856229 4.251302103 4.523592945 7.126299679 2.066157845 2.728077507 2.311135409 2.908132444 2.50323677 0.843288472 0.911757228 0.679999269 1.185131518 0.922647089 2.31720515 0.878686614 0.777680105 2.52381894 1.211298203 0.586037381 0.862948937 0.606084475 0.594636273 0.733474802 1.402231923 3.078026465 1.151478191 2.424557246 2.065968408 0.720063545 0.961010863 1.013889281 0.978430209 0.868249851 0.748512338 0.668669603 0.535160792 0.553313514 0.986110719 phenol glucuronide 0.866114339 0.777761949 8.663250234 4.116243674 0.523966261 5.575122774 21.652806 9.245218369 5.129334583 4.236153702 0.540693533 1.580865979 2.466984067 0.496382381 0.825851921 0.402601687 0.920742268 2.651928772 1.824787254 1.001147142 1 0.372093721 0.193656982 0.285135895 0.400359888 0.991325211 1.073139644 6.342935333 2.458264292 1.118200562 0.283673852 2.31190253 0.54150328 0.686972821 3.83651359 1.459298969 0.492716026 0.989645736 0.748213683 linoleoyl ethanolamide 1.269179827 0.984101066 0.809900309 1.091738621 0.883351364 1.009104604 1.411676238 1.137913777 1.456670981 1.151828504 0.803245 1.056515783 0.835222332 1.122024953 0.990895396 0.562251026 1.076833054 0.950495925 0.491047055 0.783549532 1.319689908 1.196974905 1.124648656 1.046716074 0.927863325 1.18454391 0.569897175 0.663463288 0.538898045 0.635264797 1.386842052 1.308843751 1.035316361 1.130613916 0.863259054 0.579327847 0.680663964 1.37533365 0.836933553 0.471953168 indoleacetylglycine 1.735338176 2.106029482 2.984240917 2.6414238 1.898480234 3.068359319 2.921734522 3.448956784 2.342869586 3.923759828 1.230512334 1.005212801 0.909960465 0.758802341 1.015735472 0.895649528 1.589673564 1.290416263 1.279801772 1.320688289 0.595182815 0.878140601 0.420686453 0.511565493 0.620711638 0.642032442 1.121355696 0.899136097 0.995687043 0.933125556 0.702468932 0.898448752 0.908766793 1.008450143 0.656327638 0.72395239 0.81243097 0.684288401 0.915412 1.004312957 1,2-dilinoleoyl-GPC (18:2/18:2) 0.688478605 0.712900831 0.520556446 0.575950963 0.584746503 1.400470273 0.930552794 1.191833699 1.402045124 1.001084843 0.976695383 0.954995767 0.789347388 1.038051517 1.065723424 1.432379454 1.614559391 1.399760683 1.399480679 1.238616192 0.836688417 0.761888617 0.967451928 0.889005258 0.916395439 0.863361606 0.885786426 0.829303999 1.015833741 0.998915157 1.081120847 1.117860654 0.968147614 0.936976568 1.112037378 1.466235254 1.62182151 1.225880357 1.180966351 1.056152935 1-stearoyl-2-oleoyl-GPC (18:0/18:1) 0.337867731 0.407251842 0.505888571 0.540045729 0.502077374 0.679648212 0.411983298 0.402419841 0.642446726 0.402394535 1.08351726 1.040503282 0.875929334 1.073628393 1.060129717 1.273365209 1.383664312 1.285026352 1.551965212 1.14435707 0.888153671 0.908740291 0.967557102 0.903193825 0.877077603 1.039502227 1.117026978 0.994385935 1.104206605 1.121074576 1.005614065 0.982570904 0.877255831 0.935146087 1.046475515 1.479005435 1.751638514 1.222966511 1.381160769 1.186159021 1-palmitoyl-2-arachidonoyl-GPC (16:0/20:4n6) 0.557466783 0.652964516 0.668953208 0.778984307 0.739554225 0.620281552 0.561159388 0.509777083 0.705601483 0.549736104 1.160182238 0.951147852 0.851243435 1.109758748 1.146950915 1.216275396 1.354135376 1.298810158 1.270880812 1.301287179 0.929252326 0.966799821 1.079198934 1.056619912 0.87688758 1.079825676 1.000306972 1.06721368 1.139666217 1.020678656 0.972343037 0.989623142 0.869890616 0.999693028 0.861733122 1.339242951 1.480025979 1.266410467 1.553396792 1.211291474 1-palmitoyl-2-docosahexaenoyl-GPC (16:0/22:6) 0.775588436 0.887320267 0.906374438 0.940624844 0.93511454 0.797813896 0.682795362 0.640913131 0.776486773 0.671808802 1.219991946 0.999387063 0.757568314 1.070840479 1.034608293 1.208779257 1.146866485 1.260969059 1.185757491 1.258634717 0.803678423 1.044408664 1.023165102 1.000612937 0.736459466 1.12117595 0.893618592 1.147529613 1.096953467 0.98057197 0.954387934 1.01630249 0.843577471 0.944110181 0.831486158 1.091875576 1.049102797 1.084358952 1.365549391 1.077363508 1-stearoyl-2-docosahexaenoyl-GPC (18:0/22:6) 0.78775449 0.877481879 0.864351943 0.878774923 0.945522069 0.810331154 0.781546965 0.800329327 0.992501108 0.809991972 1.184052897 1.054704724 0.80359746 1.07381974 1.076448102 1.351490847 1.285088024 1.322850746 1.214089617 1.315820099 0.838711933 1.007498892 0.953479681 0.949328308 0.741129215 1.1921823 1.07136889 1.239876104 1.192627683 1.039316974 0.963373057 0.968301172 0.795873739 0.897966785 0.851771333 1.13331725 1.026273719 1.062647662 1.374728555 1.142443772 1-(1-enyl-stearoyl)-2-oleoyl-GPE (P-18:0/18:1) 0.431533091 0.418292777 0.402411659 0.424525429 0.348505466 0.419440201 0.423919326 0.296220183 0.709036327 0.528110017 1.165395558 0.86738386 0.732425389 1.274038918 1.157045447 1.281968454 1.612490605 1.513766711 0.918773386 1.350446556 0.846207566 0.869753326 1.031741547 0.985244937 1.233230926 1.027625338 0.928289575 0.848397609 1.014755063 1.204885522 1.062885131 1.103152482 1.119423989 1.257002575 1.343348334 1.036642603 1.259305563 0.940139278 1.118957286 0.844463536 sphingomyelin (d18:1/17:0, d17:1/18:0, d19:1/16:0) 0.429492985 0.445909199 0.523724292 0.490494741 0.429178891 0.664050743 0.605468368 0.582236048 0.712932843 0.650920845 0.925348746 0.861269135 0.575720592 0.941122294 0.942694537 1.171185375 1.494138143 1.54771555 2.239983489 1.454960898 0.819221313 1.134057424 1.352719011 1.339077639 0.890129588 1.021539522 0.978460478 1.067326776 1.073015187 1.118271171 1.038668578 1.142840385 0.930671059 1.069772898 1.047074951 1.406388607 2.150546769 1.258759397 2.104360913 0.70556759 1-palmitoyl-2-stearoyl-GPC (16:0/18:0) 0.386154015 0.452414786 0.463178703 0.536875637 0.529942892 0.431752259 0.318725202 0.300971733 0.629635989 0.447140085 1.059543962 0.966376834 0.805282123 1.127296152 1.216359107 1.088308886 1.487976488 1.353870716 1.356053407 1.119344524 1.052756498 0.821884073 0.974052204 0.913995256 0.972973763 0.918251476 0.947641717 0.856609803 1.01942452 1.046079266 1.262392353 1.06267109 1.225054649 0.98057548 1.42420296 1.478456394 1.195041438 1.027557627 1.56823376 1.116016471 2-hydroxybutyrate/2-hydroxyisobutyrate 0.395650492 0.359358981 0.396379562 0.472711122 0.416670518 0.674997168 0.594497626 0.61128717 0.591316565 0.730548684 0.952417163 0.623811454 0.741557165 0.730478833 0.860310863 2.064529611 7.00214714 3.780670388 4.003134386 3.773920531 0.830635982 1.081928583 0.708806794 0.760488525 0.713609019 1.527191616 1.609135584 1.430504833 1.541992078 1.456629922 1.244292991 0.973160171 1.348312053 1.026839829 1.206358211 3.837544383 9.409217656 2.913400147 3.596784354 1.475907617 2-methylcitrate/homocitrate 0.661455418 0.510237329 0.759953892 1.109346245 1.189666914 1.632906261 0.572935225 0.978083772 0.963300571 1.56975373 1.181605675 0.795526206 0.767412741 0.79827201 1.272073219 1.026152854 1.155487866 0.743028226 1.021916228 1.189836455 0.617267779 0.884178054 1.057556737 0.691312596 1.022617123 0.607512079 0.966266115 0.630480596 0.891909683 0.931608753 1.12811697 0.94926657 0.868766889 1.100969603 1.279033864 1.030931253 2.870934928 1.336646483 1.560804059 1.04141721 oleate/vaccenate (18:1) 1.14087847 0.741298016 0.50909306 1.370941249 0.33464137 0.103482937 1.183565122 0.674116366 1.112657127 1.049697637 0.211579687 0.817716556 0.741723049 0.431491339 0.886314854 1.363557325 3.230214108 2.467530056 1.342067476 1.905476907 1.376656504 0.88911141 0.525150093 0.951293701 0.434080502 1.048706299 0.48032678 0.817958699 0.37827923 0.199651831 1.762963925 1.223328006 1.656624412 1.370137141 0.474467928 1.396863231 2.122633006 2.187781427 1.537268776 0.696279168 indoxyl glucuronide 2.035399442 2.77240009 1.164917711 1.064158105 1.382055728 1.581906386 2.803236484 2.14182385 1.112800893 0.796342557 0.431298749 0.74305393 3.01256669 0.715121583 0.511911528 0.878095302 1.029433727 0.953310757 1.1460828 0.63502147 1.834915116 0.32168371 0.251149121 0.337897973 1.717348974 1.358992117 1.611265282 1.106355946 1.031525787 1.842796164 0.473706752 0.603847544 0.451744896 1.105687251 0.346664247 0.864654531 0.414801087 0.419080735 0.970566273 0.736866909 phenylacetyltaurine 1.941831777 2.765690579 1.440214026 0.990767818 1.320188142 0.229932103 0.658778407 0.443492454 0.493693721 0.31178442 0.950445834 1.233498131 1.131612525 0.761310041 1.105848694 1.538107569 1.719439523 1.334759172 0.56173908 1.676848932 0.399541127 0.956137743 0.526297716 0.58097181 0.440642207 0.987655725 0.90398981 2.191372207 1.282879522 0.999166174 1.249189515 1.649932553 1.401686325 1.000833826 0.924890191 1.166261916 0.484183596 0.822873663 2.296807745 1.341680895 3-hydroxystearate 2.093482555 1.172006805 1.151976446 0.884112086 1.373950558 0.76274535 0.654388143 0.673500973 0.885152 1.424555786 0.698968947 0.908262483 0.660718173 0.981181281 1.223212282 1.058244877 1.402245046 1.266902439 1.156480968 1.136439998 1.137976877 0.933992912 1.023473923 0.856879796 1.018818719 0.952239501 0.822598379 0.702565491 0.771860156 0.714364971 1.272114033 0.825032272 1.032498532 0.720187425 0.776906565 1.311347772 1.442959424 1.433909347 1.083243122 0.715964103 2-hydroxylaurate 1.09630458 0.313569318 0.614433095 0.670622031 0.364286192 1.418276912 1.389613328 0.739712852 1.031920358 0.440735698 0.978978236 0.868634958 1.202439236 0.737945743 1.338475307 1.200299356 1.297555784 1.021021764 1.464438004 0.971753293 2.013254738 1.223658769 0.837851412 0.919263619 1.514267055 0.870225641 0.695270494 0.699715299 0.683398711 1.046023081 1.116397261 1.135377318 0.975094011 0.513881479 1.065025902 1.295745992 0.363071127 1.148114159 1.354720756 0.521743832 1-palmitoleoylglycerol (16:1)* 1.290979747 1.52401987 1.526353662 1.070029786 1.707591441 0.160249336 0.810010792 1.002379517 0.567125688 0.705934674 0.440705241 0.79656391 0.780241383 0.642087894 0.753939369 1.328934701 5.907384579 3.089111812 1.958923088 1.271315983 0.650471189 0.774064051 0.541832954 0.753328929 0.266058484 1.243835977 0.677589237 0.732073314 0.707915018 0.445275201 1.102030524 0.997620483 1.016007295 1.270999916 0.311224247 2.079071416 3.901178044 2.67538294 1.446792792 1.170284726 2-palmitoleoylglycerol (16:1)* 1.387525837 1.319597356 1.602930844 1 1.923139952 0.278330105 0.673558445 0.873805 0.414522602 0.464699176 0.686486787 0.602799225 0.744973908 0.670286503 1.859638325 8.000001854 4.323438412 3.302553598 1.778521972 0.684692317 0.720989554 0.672776145 0.809107677 1.336505788 1.161024034 0.647733276 1.421845079 0.701068711 0.961554219 0.989594668 0.886800078 1.249093959 3.068108298 6.305202666 3.367640216 2.291521685 1.992423554 palmitoyl dihydrosphingomyelin (d18:0/16:0)* 0.459656466 0.468631928 0.529860713 0.523406571 0.488851406 0.826401769 0.555888672 0.604640598 0.735313583 0.669378049 0.903182578 0.930677565 0.698405809 1.031143999 1.012631907 1.179841251 1.329164543 1.151703064 2.934844679 1.02415842 0.884316177 0.980224351 1.055067852 1.064400247 0.853472273 1.135278956 1.425590109 1.123728068 1.452096603 1.591047689 0.95178208 0.987368093 0.966090768 0.975440816 1.076221609 1.828394221 1.578443053 1.074358901 2.080326256 1.094139413 tricosanoyl sphingomyelin (d18:1/23:0)* 0.761312831 0.779753868 0.71850672 0.655404457 0.751610437 0.840766834 0.849461909 0.818200495 1.015759953 0.884911515 1.081796158 0.866127061 0.571070086 0.939456692 0.914112595 1.426420016 1.624742865 1.666552737 1.08709191 1.914024977 0.668476481 1.244519831 1.228490996 1.177077345 0.778133895 1.083246926 0.884654214 1.264393442 1.000961496 0.879588011 0.926522991 0.999038504 1.150181695 1.238438214 1.144813829 1.214384799 1.724461701 1.348260847 2.854256663 0.825951998 sphingomyelin (d18:2/23:0, d18:1/23:1, d17:1/24:1)* 0.88835004 0.936152117 0.884074708 0.793542199 1.003380137 1.018714398 0.815895366 0.726284998 0.965887766 0.891844158 1.288483961 0.966600056 0.714289337 1.232173468 1.263881736 0.899260086 0.897050738 1.037775073 0.798319461 1.019074487 1.119422456 1.494008754 1.755943125 1.646792528 1.088070114 0.996619863 0.925016207 0.908748565 0.888902885 0.939720067 1.344392455 1.40135586 1.184955313 1.53580452 1.237940205 0.690082102 1.027665096 1.39529701 1.531256167 0.749852285 sphingomyelin (d18:2/24:1, d18:1/24:2)* 1.216574318 1.34902858 1.786297161 1.65148764 1.664168895 2.298728485 1.4267017 1.250998562 1.644938136 1.492425173 1.08485692 0.873194018 0.687348 1.094818164 1.116574491 0.838811012 0.768484778 0.842167105 1.404790171 0.888615934 0.753416621 0.934950787 1.101297542 1.088038557 0.871320805 0.893305442 0.893502593 0.858237972 0.853239659 1.111633989 0.988478419 1.011521581 0.741134141 0.968649905 0.824568175 0.834572185 0.899226922 1.029785771 1.367206708 0.761520564 1-stearoyl-2-linoleoyl-GPE (18:0/18:2)* 0.383000163 0.371222507 0.332259736 0.496807937 0.48237274 1.026214062 0.572188719 0.813177457 0.964169778 0.641257058 1.039307352 0.949729737 1.282547538 0.96840137 1.000629829 2.380044375 3.17936356 2.460768396 2.009968798 1.920518485 0.682736771 0.622469271 0.939738069 0.806710943 0.956253521 0.891041791 1.153591167 1.078369926 1.072869872 1.543639058 0.871329459 0.999370171 1.229069974 0.850003412 1.861333898 2.045571128 3.790124754 1.695546359 1.307022006 1.257392669 1-stearoyl-2-arachidonoyl-GPE (18:0/20:4) 0.461338397 0.54480751 0.562141215 0.712392497 0.663908065 0.745800469 0.564001901 0.621362952 0.798183509 0.520491618 1.28914387 0.973827731 1.242323479 0.917425088 1.034510973 2.110430179 2.709160116 2.579262451 1.513285744 2.089803881 0.94770295 0.945583413 1.026172269 0.953849425 0.931038538 1.307876059 1.212246419 1.585287843 1.189062687 1.240935674 0.699433985 0.88744458 0.916320401 0.90985623 1.16482806 1.782137801 3.040257149 1.760203022 1.838123332 1.362844366 1-stearoyl-2-linoleoyl-GPC (18:0/18:2)* 0.661252636 0.687360343 0.623051332 0.653516436 0.674366734 0.892840516 0.721312755 0.828197091 0.916904797 0.76326227 1.040335207 0.961273147 0.889413609 1.026818732 1.064182857 1.256329369 1.369869443 1.251781958 1.311424008 1.200018016 0.912749021 0.867636309 0.978783255 0.943960659 0.894353172 0.998971563 1.074771429 1.001028437 1.074742297 1.073186943 1.03224619 1.017013076 0.939746177 0.961246908 1.053871301 1.351890903 1.468111703 1.157631285 1.126833957 1.091642833 1-oleoyl-2-linoleoyl-GPC (18:1/18:2)* 0.73931422 0.723346835 0.61928453 0.669946301 0.686748755 1.58864817 1.04872776 1.227485125 1.096131888 0.98847825 0.955680619 1.087296352 1.175576025 1.044214139 1.087038035 1.01152175 1.175500714 1.037773432 1.194044094 0.846551526 1.191473113 0.669883896 0.896722014 0.87761666 1.173530544 0.757341019 0.973292342 0.872151441 0.849198736 0.958018678 1.09461071 0.981765228 0.95429457 0.931995171 1.132888852 1.254431974 1.509854861 1.190236233 0.960259007 1.122435396 1-palmitoyl-2-palmitoleoyl-GPC (16:0/16:1)* 0.646883232 0.851881806 1.021648384 1.795444078 1.170482656 1.316525432 0.507746574 0.501818905 0.879129831 0.652504295 1.113038365 0.94300519 0.795220111 1.018323537 0.991658302 0.802424246 1.226873118 1.020573719 1.663663509 0.840310987 0.708908647 0.885576589 0.856505149 0.919796819 0.728799761 0.848908366 1.071936863 0.807254301 0.962097549 1.02182262 1.135199578 1.008341698 1.141774929 1.025217526 1.17702154 1.166455367 1.642150605 1.153553263 0.8626068 1.112681754 1-palmitoyl-2-dihomo-linolenoyl-GPC (16:0/20:3n3 or 6)* 0.788112748 0.940366173 1.170921707 1.088863836 1.077880799 1.150678604 0.804573884 0.845632302 1.043599263 0.860429253 1.126853945 0.904535608 0.79785904 1.072528276 1.06098291 0.747787358 0.769344999 0.762820101 1.052782122 0.904368024 0.896957642 0.878946377 1.02488742 0.959354388 0.861699734 1.178504168 1.134130499 1.068013055 1.215067077 1.019149732 1.004179117 0.995820883 0.832191341 0.945208516 0.616898714 1.125778629 0.826328922 1.223737743 1.397550806 1.381872624 1-palmitoyl-2-arachidonoyl-GPE (16:0/20:4)* 0.624440895 0.753631563 0.729316356 1.013929629 0.894992455 0.982368871 0.600045484 0.730455459 1.010068048 0.626862122 1.115420256 0.899178718 1.036043915 0.794965655 0.829146775 1.345551587 1.71749992 1.45434462 1.530340977 1.440557147 1.026240242 0.989931952 0.9490099 0.871985311 0.828783285 1.163131338 1.198815709 1.316821959 1.037040163 1.103739728 0.654321138 0.704025168 0.90117923 0.919783299 0.965924203 1.396908384 2.501187304 1.429740865 1.220815505 1.077850643 1-palmitoyl-2-docosahexaenoyl-GPE (16:0/22:6)* 0.843960991 1.030446082 1.00313192 1.091337627 1.152813715 1.11443431 0.722412235 0.851852345 1.099731966 0.681577265 1.432485967 1.081976346 1.068556091 0.687630975 0.893990505 1.680180552 1.602212409 1.529702892 0.698145597 1.640499593 0.949474009 1.193329917 0.945758996 0.960747474 0.591543139 1.183037726 0.926022677 1.716318094 0.951850372 1.012533744 0.779444844 0.899134431 0.979929923 0.99686808 1.188466348 0.806106121 1.240169696 1.192664783 0.928301909 0.929567978 1-stearoyl-2-docosahexaenoyl-GPE (18:0/22:6)* 0.864214467 0.999763456 1.074977655 1.084042395 1.226149935 1.071269696 1.038163205 1.128810601 1.41550781 1.055003739 1.08953781 0.860915732 1.192007571 0.619935427 0.783203592 1.844494475 2.354005227 1.987658063 0.765204568 2.1096232 0.764656983 0.911552999 0.751289329 0.70266192 0.762494722 1.000236544 0.76470667 1.629723226 0.874635424 1.016703433 0.654367261 0.731800633 0.823952696 0.745578055 0.976642253 0.986876388 1.532460093 1.104566827 1.194553632 0.842301714 1-palmitoyl-2-arachidonoyl-GPI (16:0/20:4)* 0.708005376 0.863604797 1.084621379 0.942171535 1.080880494 0.894034334 0.745293146 0.695747546 0.876719454 0.735435645 1.215309233 1.000895202 0.663254025 1.038060728 0.896663084 1.064985001 1.084152926 1.113525809 1.143241491 1.114860329 0.849708483 0.999104798 0.980477999 0.971893002 0.729491302 1.095946173 1.074461454 1.071411075 1.063862794 1.124748131 0.785362543 0.958888809 0.763051381 0.881566397 0.790346005 1.176864335 1.443027925 1.06614933 1.414049824 1.152741335 1-stearoyl-2-linoleoyl-GPI (18:0/18:2) 0.416336307 0.483921987 0.411546289 0.338512094 0.441006373 0.658893717 0.54728776 0.570752837 0.870989344 0.610724268 1.019582574 1.014769714 0.760580027 1.099881573 1.085522637 1.106514875 1.306515749 1.212628491 1.709200504 0.917695527 1.218557047 0.950393589 1.295763949 1.17250231 0.985230286 0.810239521 1.130293993 0.759187062 0.797840849 1.22808201 1.143507989 1.094978164 1.141777448 0.887067573 1.541552501 1.714489857 1.631110788 1.04524521 0.928871905 0.877240205 gamma-tocopherol/beta-tocopherol 0.565815375 0.746356593 0.843982216 0.82308746 0.53139733 2.564005547 1.718720361 2.110744487 1.873792895 0.738108873 0.472876729 0.620847413 0.343098266 0.447599112 0.985478386 3.17860242 4.946836702 2.762408334 4.475146179 1.530533284 0.997697644 0.559830205 0.351356071 0.366022046 0.237673931 1.002302356 2.180254618 1.250383593 1.709429204 1.638543391 0.714868772 0.886495128 0.944754604 0.821239419 2.43024387 6.695538641 6.137798496 1.573663447 1.688046697 2.536472279 1-(1-enyl-stearoyl)-2-arachidonoyl-GPE (P-18:0/20:4)* 0.384585149 0.430573766 0.384925086 0.426325021 0.411680915 0.490301683 0.400617718 0.394058058 0.766522293 0.469842795 1.009826308 0.838398487 0.64048152 1.210410834 1.190905873 1.528030938 1.628342506 1.591659912 1.214503322 1.679228004 0.770581075 0.892911195 1.039501404 0.947139957 0.910579826 1.182605451 1.136742203 1.153108779 1.402732402 1.280475566 0.976723565 1.109696761 0.888626072 0.990173692 0.895152849 1.516957377 1.782298706 1.235126159 1.937015169 1.086689754 1-(1-enyl-palmitoyl)-2-arachidonoyl-GPE (P-16:0/20:4)* 0.805084034 0.699782283 0.631999521 0.904643212 0.68130622 0.790701215 0.68063524 0.580501458 1.006830424 0.876277671 1.053398208 0.974945531 0.780537561 1.143743604 1.269839414 1.0512848 1.047859421 1.134363234 0.716329946 1.18837667 0.837104636 0.915348367 1.130395287 1.074007436 1.171105879 0.993169576 0.791404587 0.951736568 1.255859272 1.100502421 1.1304663 1.194981551 1.195735825 1.195867707 1.169766411 0.869401194 0.960801381 1.02701268 1.209974748 0.865576787 1-(1-enyl-palmitoyl)-2-oleoyl-GPE (P-16:0/18:1)* 1.058688913 1.006403884 0.90717363 1.337509792 0.941389222 1.06287058 1.278931716 0.679515528 1.395544397 1.330703947 1.341597119 0.959807082 1.036333629 1.384940034 1.230392536 0.555456874 0.724158957 0.742303054 0.291795336 0.837514278 0.993596116 1.034075818 1.189318429 1.064080804 1.645357524 0.923805381 0.554451537 0.787996385 0.848911565 0.803090904 1.192240098 1.394862597 1.56361156 1.526418157 1.543201549 0.263321795 0.304494295 0.765957693 0.548964147 0.592228927 1-(1-enyl-palmitoyl)-2-oleoyl-GPC (P-16:0/18:1)* 0.865335109 0.881219688 0.996700689 0.181094037 0.93318791 0.344159182 0.745525579 0.740758098 0.527514372 0.967730278 1.561298872 1.44349319 0.989618104 1.681928202 1.70698924 0.309945628 0.455676539 1.002026834 0.37311363 1.380000204 1.523221596 1.828185216 1.726275606 1.597348995 1.270352935 0.910204465 1.253278561 1.168536862 1.422438892 1.544772627 1.682632119 1.636332903 1.868147265 1.75879529 0.387959094 0.337138528 1 0.665493578 0.508834556 1-(1-enyl-palmitoyl)-2-linoleoyl-GPC (P-16:0/18:2)* 0.91406488 0.848864427 0.730797822 0.732168733 0.700315128 1.304086173 1.079923014 1.257037581 1.226742788 1.224572179 1.014636916 1.09510919 0.756777105 1.445745677 1.299443244 0.343893431 0.486786495 0.572674098 0.783965541 0.645178855 1.332317812 1.125263022 1.434005699 1.388406443 1.518043757 0.927002022 0.72261424 0.684511378 0.985363084 1.050139063 1.489246827 1.699773667 1.566753126 1.450897281 1.696676407 0.434214975 0.298374188 0.819673642 0.434095966 0.342621742 1-(1-enyl-palmitoyl)-2-arachidonoyl-GPC (P-16:0/20:4)* 0.752357811 0.736513038 0.513680395 0.418700788 0.553044034 0.501037298 0.706292533 0.720984987 0.681423895 0.726470458 1.184530065 0.941574193 0.993501658 1.240585879 1.525329777 0.409521634 0.503220378 0.673269117 1.493602523 0.889804546 1.458787923 1.058241605 1.548114242 1.490133038 1.633277155 1.23524365 1.118479498 1.006498342 1.405594775 1.178610412 1.327071699 1.503252966 1.217096288 1.378524865 1.165492532 0.740687648 0.51721361 1.1169548 0.853218158 0.678810848 sphingomyelin (d18:1/21:0, d17:1/22:0, d16:1/23:0)* 0.291676111 0.43908827 0.29495786 0.262211254 0.368793916 0.250264631 0.225894424 0.206416535 0.277955649 0.241008182 2.709487958 1.942326528 0.910243329 2.329354621 2.190787068 0.826008461 0.724338199 0.939397376 0.439472326 0.981469379 1.421966937 2.991384097 3.492228889 3.467215041 1.56163559 1.977933078 0.652259624 1.688597111 1.294904433 1.018530621 3.380317107 2.945655885 2.162790011 2.904556211 2.425036918 0.450105556 0.785827375 2.339050966 1.549790526 0.615685149 behenoyl dihydrosphingomyelin (d18:0/22:0)* 0.249375082 0.407334368 0.448810346 0.456914976 0.415809009 0.389154652 0.303442218 0.24153806 0.439354878 0.38064161 1.201016909 1.014359208 0.510246491 1.056065592 0.866356605 0.894077392 0.75424142 0.745953185 1.430739433 0.792694913 0.508031228 1.097295963 1.05421994 1.000829224 0.696161371 1.331785423 0.999170776 1.271414508 1.381600437 1.56794853 1.555024563 1.131829344 1.461521507 1.02744798 1.555704182 1.251595945 0.826025059 1.154295982 2.516009055 1.080223478 sphingomyelin (d18:0/18:0, d19:0/17:0)* 0.314556542 0.302457685 0.300497178 0.40930264 0.262653592 0.523941223 0.357934482 0.327311491 0.574436982 0.551485722 0.956147319 0.829048969 0.623998795 1.002021157 0.99238115 2.2845514 3.60332623 2.474910019 12.58447017 2.16050525 0.731214221 0.901682146 1.101374835 1.15994805 0.951456682 2.55319168 3.448295581 2.163677555 3.668333088 3.606183635 0.997978843 1.037594115 0.938655126 0.980146055 1.094637048 6.206515325 5.222332334 1.767047405 10.84110301 2.963326684 N-palmitoyl-sphinganine (d18:0/16:0) 0.209832476 0.107742867 0.120745631 0.259716825 0.285405668 0.378602353 0.243860758 0.378173119 1.698704514 0.583986121 0.62341276 0.560472435 0.982044579 1.229149632 1.295500557 2.710304715 6.437490814 4.160759915 3.926653136 3.02770205 0.443018322 0.212749742 0.552718871 0.514697245 0.967825017 0.885114758 1.802301341 0.922808812 1.734420608 2.128213538 1.017955421 1.059022648 2.22598849 0.677594619 2.479376634 4.466446951 6.033325231 2.049431571 2.532262898 1.832632006 lactosyl-N-palmitoyl-sphingosine (d18:1/16:0) 0.205463637 0.304151389 0.288692431 0.269248176 0.141411068 0.216741766 0.294652802 1.072273619 0.987747516 0.555311936 1.320871405 1.169642092 0.58731735 0.906909021 0.779750776 1.621624086 0.778657785 1.019794671 1 1.21767328 1.050971828 0.888242492 1.174276594 0.925211952 0.845775123 1.050756526 0.983606233 1.124759158 1.240708478 1.215778396 1.05359281 1.197171185 1.117600341 2.050834518 1.451249305 1.22162123 0.967807844 myristoyl dihydrosphingomyelin (d18:0/14:0)* 0.559499642 0.801646506 1.061972203 0.763863362 0.938700494 0.953499826 0.793862441 1.579131981 0.92898643 3.901113554 0.992908653 0.833019008 1.012500951 1.029923 0.614993133 1.007091347 1.610160126 0.972563576 1.481114435 1.80407302 0.9281856 1.198589739 0.678991435 0.8046336 1.946696778 2.059689839 1.621664044 1.842040354 phenylacetylglutamate 1.262655631 0.852549361 1.56019086 1.922946784 0.608685962 0.97168502 0.674048485 0.338320957 0.986050187 0.949944788 0.528188348 0.304707682 1.519263304 2.243924183 1.615240449 5.823140278 2.156639078 0.663066933 0.365248047 0.478163528 1.568943684 2.492326083 2.232841325 1.859448288 1.385944829 0.76585183 0.233834122 1.77992321 1.569004468 0.774381781 1.013949813 0.808683936 palmitoyl-linoleoyl-glycerol (16:0/18:2) [1]* 0.912155447 0.874146508 0.811681899 1.328745196 1.003862828 0.583284327 1.058836343 1.321163344 0.923043346 0.878657085 0.996137172 0.734090182 1.009286981 0.429471884 0.638033804 3.239896066 4.330157905 3.895103495 2.759359049 2.547806017 0.562798103 0.653635196 0.656948632 0.66117376 0.518526021 1.18038207 1.158835399 1.196420313 1.060620345 1.270930438 0.913268035 0.759141494 0.913179717 0.847244693 0.961943904 2.950695901 3.304641406 2.386624397 1.691578298 1.760480664 palmitoyl-linoleoyl-glycerol (16:0/18:2) [2]* 0.75340455 0.653803299 0.638740747 1.162777597 1.027024239 0.682938371 0.809864426 1.300195816 0.957754481 1.1920278 1.37552497 0.682013515 1.224826743 0.342046377 0.679005182 3.71595925 5.903818085 4.127932524 3.894411796 3.765516271 0.465506775 0.580566186 0.57742806 0.530695647 0.729701146 0.962343251 1.535905809 1.099499982 1.330361057 1.448713427 0.964165023 0.696104978 0.972975761 0.955609546 0.890674898 3.699905843 6.730545859 3.028064702 1.808255552 1.871165803 1-palmitoyl-2-oleoyl-GPI (16:0/18:1)* 0.136680209 0.14646655 0.187826224 0.173842817 0.198474135 0.166619792 0.186265697 0.193718855 1.162673066 1.07882445 0.846479459 1.100509691 0.796200245 0.980614896 1.096903647 1.079863375 1.251004512 0.721478954 1.359333719 1.082437152 1.399295956 1.253855018 1.113089004 0.768502552 1.00280795 0.589917768 0.804450783 1.195607701 1.080927501 1.201105207 1.360549998 0.99719205 1.650204659 1.370077677 1.408903991 0.852764361 0.871042784 0.821258069 1-(1-enyl-palmitoyl)-2-linoleoyl-GPE (P-16:0/18:2)* 1.860748278 1.796537294 1.129909525 0.928630334 1.152434018 1.162705562 1.905496503 1.060150127 1.36701641 1.580543737 0.900716229 0.656446452 1.28364463 0.828535114 0.64522932 0.623443494 0.635535235 0.971207075 0.998708538 1.082293256 1.001291462 1.258163068 0.885194625 0.572439468 0.990349826 1.03014875 1.450383378 1.521519053 0.872158498 0.403063658 0.780550715 0.351011786 1-palmitoleoyl-2-linoleoyl-GPC (16:1/18:2)* 0.71047934 1.001763275 1.027046211 1.656900052 1.138493635 1.890747638 0.828009588 0.892578373 1.407798915 0.807629111 0.967609475 0.796826383 0.508921568 0.973428292 0.848966042 0.988228011 1.25388675 1.056011907 1.591138209 0.940830873 0.60067288 1.071410043 0.982815235 0.955120549 0.588052728 0.937482206 1.003240209 0.832850014 1.028872106 1.033238596 0.991042817 0.998236725 0.934190715 1.018714732 1.049878253 1.216037482 1.574944452 1.136317504 1.28731373 1.192018551 1-oleoyl-2-linoleoyl-GPE (18:1/18:2)* 0.557349526 0.57512062 0.581972503 0.597078398 0.549766465 1.670284665 0.836018791 1.253592812 1.011518518 0.8810043 1.069034217 1.008439937 1.354007657 0.991560063 0.934627005 1.817132742 2.084711251 1.92324349 1.468282585 1.106904691 0.582148869 0.610929346 0.955194833 0.894697068 1.055554273 0.639640714 0.975740498 0.747496851 0.857917272 1.578242425 0.924783753 1.032003195 1.696478779 1.044150879 2.307525617 1.181077545 2.787205506 1.417763837 0.672746853 0.862905173 1-linoleoyl-GPA (18:2)* 1.395504502 0.977513952 3.778785907 2.479285788 4.961892697 2.396784161 0.653036943 0.986621358 1.316165645 1.132879104 2.895564419 3.457236279 1.245031157 1 0.716840141 0.965633239 0.38401753 0.67239874 1.752289691 1.717379395 1.789258568 0.991739994 0.379998802 0.538368371 0.792108912 0.697084603 1.312677612 0.897503167 0.859361626 1.101880542 0.661677851 1-oleoyl-2-docosahexaenoyl-GPC (18:1/22:6)* 0.975461532 1.105631125 1.087697595 1.013620037 1.054778849 1.098518251 0.999128488 0.932514288 0.813288686 0.907222915 1.20389449 1.015313174 0.887988722 1.160265161 1.105847179 0.911422506 0.950822192 0.868245554 1.208279161 0.750919781 0.75777383 0.980294571 1.087192631 1.029330265 0.826438283 1.073427218 1.1563811 0.961149025 1.106331717 1.000871512 0.895258137 1.044109803 0.819055817 1.056188289 0.754329649 0.895217269 0.976938412 1.187293784 0.950372731 1.297318887 1-linoleoyl-2-arachidonoyl-GPC (18:2/20:4n6)* 0.385979514 0.505081491 0.386054679 0.441936152 0.473658118 0.648054849 0.487277559 0.540289981 0.716541255 0.48571219 1.197973126 0.890651861 0.686470562 1.25673735 1.265978916 1.053195998 1.22531247 1.174590999 1.140986202 1.025171409 1.040223972 0.974828591 1.188394453 1.135110487 0.843711581 1.030620598 0.924949307 0.777458032 0.964430057 0.831303562 1.102753066 1.2113981 0.741036791 1.111932173 0.726200889 1.173916273 1.269335838 1.281118325 1.230768801 1.161312739 1-myristoyl-2-arachidonoyl-GPC (14:0/20:4)* 0.337573704 0.53156664 0.58904909 0.92884165 0.614915001 0.948367271 0.491868307 0.495148052 0.892253935 0.517206708 1.152363226 0.771935839 0.708710292 1.158104748 1.194724677 0.835389863 1.474340856 1.321974478 2.492596108 1.050628654 1.027892269 1.004351049 1.064045089 1.076231598 0.77158619 0.995648951 1.103462071 0.744473387 1.006908595 1.038928513 0.843149689 0.914104948 0.670050174 1.136172148 0.629119989 1.487042446 2.296057794 1.472097751 1.776256599 1.4813039 1-palmitoyl-2-gamma-linolenoyl-GPC (16:0/18:3n6)* 0.356783676 0.473568554 0.497244818 0.943102437 0.560309889 0.770824765 0.390782087 0.443119258 0.935845468 0.337448736 1.324881363 1.419346356 1.076731456 1.105400837 0.970625384 1.392924566 1.756738757 1.616986749 0.586013888 1.621142574 0.990499844 1.161414959 1.020192177 1.060835999 0.822693005 0.999546059 0.529796021 1.0861095 0.835054042 0.843159222 1.000453941 1.060197829 1.102060326 1.208576463 1.318922208 0.876688477 1.939319387 1.338998471 1.465158196 0.845362867 1-(1-enyl-palmitoyl)-2-palmitoyl-GPC (P-16:0/16:0)* 0.976401226 1.026180228 0.934086613 0.986419783 0.942321227 0.990636 0.72625464 0.774574159 0.938804945 1.009364 1.451980474 1.17651286 0.925596049 1.444312333 1.385497056 0.500938239 0.479824233 0.531770067 1.333662144 0.616528306 0.983211354 1.200791104 1.500775415 1.378191636 1.283984574 1.051517865 0.820287015 1.066080363 0.954285365 1.214072959 1.371876504 1.512138381 1.429355381 1.675870907 1.555963488 0.549493837 0.565908493 1.095277428 0.640544075 0.530167335 1-stearoyl-2-oleoyl-GPI (18:0/18:1)* 0.06561727 0.227289227 0.132731738 0.765283475 0.854473482 0.693272179 1.175844309 1.155534754 0.823893634 0.790681261 1.075399711 1.28674649 0.578122891 1.511004685 1.069748116 1.440679747 1.235351666 1 0.669030657 0.843032347 0.678092723 0.527472367 1.025713674 1.311976798 1.000182056 1.279371902 0.679344687 2.154867463 1.493139245 1.366045644 1.01161534 0.814200539 0.771133575 1,2-dipalmitoyl-GPE (16:0/16:0)* 0.597482051 0.585110963 0.562672588 1.85828252 0.762553115 0.710550815 0.202535983 1.453215063 0.964133314 1.421268442 0.732684873 1.025555944 1.332680365 1.067166349 1.600775447 2.359755644 1.805619738 1.120523427 1.592103513 0.483491316 0.274905042 0.665058666 0.713467759 0.809057403 0.819350112 0.889627267 0.516328348 0.897169843 1.236355849 1.045972296 0.666420207 1.40477441 0.989943983 1.337806431 1.49722169 1.789294771 1.294809689 1.169509597 1 1,2-dilinoleoyl-GPE (18:2/18:2)* 0.962392999 0.560121633 0.512070328 0.754348116 0.857320025 2.169321632 1.363229857 2.213955654 3.001673905 2.433399614 0.973215644 0.900461333 1.631546583 1.127688058 1.182090438 1.646762876 2.693281098 2.008306624 1.106048401 1.061459442 0.452759831 0.223986879 0.651659729 0.613127057 0.998249112 0.757380484 0.618278328 0.63937629 0.819448278 1.624854719 0.964119477 0.989831708 2.058235556 1.001750888 2.790405136 1.160170075 2.359916784 1.470387937 0.3700494 0.874883352 1-oleoyl-2-arachidonoyl-GPE (18:1/20:4)* 0.612658359 0.767239985 0.734760988 0.974159227 0.799609927 0.830379722 0.552196059 0.628951674 0.785505036 0.608684045 1.422566236 0.987940688 1.165482434 0.998095372 1.006803492 1.160358933 1.360730796 1.208024271 0.903254816 1.194219861 1.276319351 0.994934922 1.091224831 1.021608453 0.994276694 1.161689599 1.227955101 1.144185568 0.9399035 1.051997133 0.804936959 0.856147072 0.97626965 1.100610337 1.013581614 1.001904628 1.76893666 1.349741564 0.894111106 1.24080296 1-oleoyl-2-docosahexaenoyl-GPE (18:1/22:6)* 1.009947302 1.272526227 1.189109616 1.349703597 1.291831774 1.193565786 0.877450326 1.070861036 1.19950995 1.133069655 1.443780121 0.940561582 1.103074043 0.754105946 0.861131458 1.233939941 1.226161996 1.09455587 0.583537184 1.252877772 0.863961209 0.994837934 0.997322447 0.93651493 0.76145642 1.074725956 0.875680824 1.357101354 0.856713252 0.930497031 0.785956445 0.793028837 0.889316314 1.002677553 0.963873351 0.667487482 1.042808711 1.045342289 0.72507067 0.945044204 1-linoleoyl-2-arachidonoyl-GPE (18:2/20:4)* 0.431755672 1.242833083 1.007197264 1.632731308 1.166863219 1.763289113 1.144392955 0.60275243 1.823815371 1.621415435 1.355749585 0.925467709 1.178326747 1.089823816 0.952734858 1.031293403 1.272797305 1.209510929 0.764456812 1.095589038 0.999810591 0.762810475 0.858811236 0.936715007 0.944821158 0.869788661 0.956574468 0.685878912 0.770974693 1.000189409 0.773602639 0.829496258 1.037691832 0.931406026 1.110380082 0.898405729 1.519335891 1.20887164 0.660678947 0.911523338 1-(1-enyl-stearoyl)-2-linoleoyl-GPE (P-18:0/18:2)* 0.888153326 0.909546889 0.659187359 0.609481761 0.733963764 1.003418466 1.066441624 0.769447222 1.32509391 0.910063188 0.874180828 0.80540267 0.628114194 1.074964264 1.076861356 1.410101731 1.753885859 1.728189007 0.972796049 1.543868202 0.753701768 0.875765241 0.996581534 0.97373683 0.90164664 1.043430302 0.817795323 0.990352832 1.188043614 1.175949023 1.028841124 1.183336971 1.05575375 1.103453765 1.217179945 1.101918345 1.504562694 0.954801081 1.257231294 0.786071903 1-linoleoyl-GPG (18:2)* 0.310567059 0.36564195 0.237393578 0.381712913 0.309243151 0.135128113 0.428767475 0.308224532 0.67831721 0.760225826 1.339438392 1.468035666 1.550315362 1.560624255 1.523248048 2.266581659 4.607996304 4.878498683 0.570626011 3.309695172 0.705652853 0.641001617 0.973597598 1.09999575 1.45032146 1.112029198 0.515639085 0.681181612 1.026402402 0.802685516 0.776666389 1.190288381 1.715787665 0.899222915 0.774609194 1.161781843 1.746689212 2.173420189 1.984302333 1.319822222 gamma-glutamylserine 1.039585992 1.003300389 0.996699611 1.155918284 1.238360086 1.33577297 0.870971863 1.345420079 1.081123842 1.094322686 0.967583081 0.88870316 0.979991193 1.205161138 1.083495252 0.996240654 1.630448809 1.516257356 0.380919105 1.216484617 0.584771467 0.586254352 0.802137741 0.855274165 0.93154082 0.779883263 1.205247821 1.549501089 1.233470054 1.705723988 0.63873466 0.847912657 0.554100938 0.73963875 0.5940519 1.270477113 1.179832862 0.60786741 1.309772572 0.989750526 thioproline 1.611864245 1.495845978 1.208231995 1.748130161 1.275031281 0.843379828 0.803610497 1.366859582 0.722473155 2.248709597 1.45652811 1.391961107 0.679125784 1.137786475 1.286714941 0.852178612 1.00414388 0.808119949 0.433464212 0.896485881 0.566991136 1.277336937 1.210547147 1.309246665 0.826830206 0.797573148 0.632234039 0.673439765 0.698650919 0.644155947 1.491842371 1.326832148 1.166704289 1.223354717 1.258220104 0.510290641 0.671779796 0.99585612 0.670376203 0.554319091 palmitoylcholine 1.039582021 2.764247436 3.192627345 0.809780723 0.638307389 0.179775851 0.988309021 3.816841731 0.563113275 1.055930775 1.66345067 1.811135866 1.864326134 0.549027525 0.302771092 1.17654696 1.01275962 0.718291045 1.011690979 1.266552146 0.391494876 0.418631584 0.430033643 0.44424028 isocitric lactone 0.782806628 0.672498673 1.043953354 1.195904256 0.859696853 1.909343045 1.022161045 1.580424661 1.153821927 1.497829748 0.870873775 0.755472804 0.728281187 0.587092437 0.691973737 0.977838955 1.096022079 1.145459974 3.169274175 1.083130468 0.931883308 0.776627917 0.854923803 0.609931244 1.046390016 0.899901321 1.466047398 1.120869103 1.025426336 1.41904343 0.947439477 0.657759283 0.810429424 1.039963354 0.742531057 1.41520293 1.223198882 0.730075183 1.405111703 0.83221991 (S)-3-hydroxybutyrylcarnitine 1.642110435 0.996275575 0.589651457 0.505620429 0.851038458 1.204421266 0.926462312 1.163733455 0.691536124 2.424141273 0.917568679 0.655528535 1.101695612 0.565563222 0.970499691 1.470630698 1.998898286 1.372573156 1.939640044 2.21699732 1.003724425 0.955806488 0.919675233 0.83781176 1.87125779 0.671233239 1.064332696 0.62401181 0.890774559 0.711263215 1.368201039 0.899632091 0.914400599 1.193779437 0.678777751 1.96499097 1.801050446 1.247268079 1.521590552 1.068358262 glycosyl-N-palmitoyl-sphingosine (d18:1/16:0) 0.596663877 0.646514193 0.960916104 1.055330047 0.869972385 1.172912605 0.784034771 0.696460764 1.064198847 0.832332119 0.976339268 0.961347347 0.79060303 0.888383939 0.973437049 2.234502536 2.687429372 2.014580344 7.015618952 1.882460023 0.860521349 0.996529243 0.924476112 0.936527324 0.80783375 1.925795529 2.521011939 1.730170176 2.489076774 2.305806413 0.86752214 1.155541032 0.965418185 0.886162229 1.003470757 5.492805425 3.990500164 1.665880985 3.417567809 1.898045106 14-HDoHE/17-HDoHE 2.031415611 1.205423449 0.957125823 1.488840491 0.713162671 1.347428807 4.83182118 1.936961909 2.243750364 2.440182281 0.723996784 0.410689748 0.538291846 0.310824316 0.49247031 1.371374066 1.554741004 1.339666057 0.820628673 1.932959194 1.042874177 0.592098094 0.486802584 0.652335321 0.511794912 1.478850426 1.257921305 1.230721196 0.759238132 0.538524462 1.539561172 0.638418897 0.667418082 0.747884924 0.531577052 0.58882815 1.426999219 1.368710226 1.104824654 0.516339805 catechol glucuronide 0.788269375 0.583957282 0.146826262 2.454243646 2.572805713 3.905793668 1.00808415 0.99191585 ascorbic acid 2-sulfate 1.098640125 1.351785064 1.655398659 1.304363588 0.957643205 1.475461776 1.954376904 1.676335224 0.837646981 1.160716751 0.983215119 0.955575825 0.734989672 0.805199536 0.946343427 0.9726591 1.173431895 0.766406544 2.731139945 0.962699868 1.002697125 0.997302875 0.895108745 0.975173625 0.274324672 1.19058821 1.878983893 1.457513604 1.137033181 1.274567841 0.707314749 0.674242013 0.56367771 0.690905755 0.368335683 1.191136899 1.61171646 1.10401656 1.27855474 0.963634242 arachidonoylcholine 0.660762359 2.063738987 2.578173438 0.305494371 0.569882934 0.54533264 0.990985479 4.839303924 0.669710597 1.808645374 1.47725465 2.23358215 1.987151248 0.389658794 1.053174457 0.929041238 0.363854218 1.009014521 1.102606461 0.433441426 caffeic acid sulfate 7.374685094 1.762819714 10.52060906 22.68824189 11.7926633 20.7898515 4.977432427 18.34078362 29.11316835 29.68239886 0.485664675 0.940572871 0.298414229 0.174860087 2.547670645 0.764398984 0.340910938 1.078280845 1.245889294 1.016415735 1.866200922 0.212678582 0.462880393 0.688921817 0.542615899 0.30312224 0.991052612 0.952351026 0.897640035 0.893853039 1.150046863 1.008947388 0.674935935 0.227162895 1-linoleoyl-2-linolenoyl-GPC (18:2/18:3)* 0.839652986 1.151113935 0.901354087 1.559853892 1.015826114 4.93296863 2.095170591 2.306642556 4.19468519 1.967000205 0.947945865 1.045094607 0.58576177 0.996983008 0.862071362 1.708289933 2.443127486 1.964431032 2.00414174 1.531871282 0.501897086 0.982375989 0.898285589 0.920104832 0.518180785 0.771385031 0.810483861 0.772277027 0.730589492 0.952831957 0.881147578 0.932689009 1.003016992 0.916709925 1.06224404 1.17711376 2.12469614 1.096356361 1.334994749 0.838463657 1-palmitoleoyl-2-linolenoyl-GPC (16:1/18:3)* 0.304606147 0.686773401 0.626213374 1.583662873 0.63984692 2.575126097 0.690244618 1.007394816 1.850898637 0.750656808 1.058457782 0.926835703 0.537626372 1.021908815 1.001506954 1.053658987 1.691787053 1.322906979 1.925490713 1.238138447 0.617964716 1.079526882 1.036410986 0.967484688 0.585974686 0.970653989 0.736972669 0.651002385 0.879041581 0.860439392 0.993931776 1.00756138 0.756072248 0.980348495 1.022960101 0.998493046 2.279971773 1.222764693 1.333610391 1.195369805 hexadecatrienoate (16:3n3) 9.456198129 3.475683971 1.526345859 4.181014239 2.043553911 1.293279205 6.312897898 5.737624898 14.38724178 11.35488215 0.478453586 0.763092334 1.005527921 0.589186593 0.873130792 1.216584674 2.088233555 1.541977429 0.978744314 2.187675433 1.779017037 0.657270825 0.551077538 0.83515615 0.606761158 0.531591697 0.564745706 0.43952077 0.231422252 0.802999572 1.286234533 0.925970051 1.508820301 0.994472079 0.496363791 0.899624517 1.128713798 1.396192396 0.721501307 0.414111181 hexadecadienoate (16:2n6) 2.838617256 1.249094523 0.991219914 2.422000302 0.51580228 0.155211212 2.524613937 2.194362239 2.997148544 2.438338585 0.094193847 0.730877609 0.619571362 0.314695139 0.762744683 1.708201551 2.975734562 2.387763865 1.603566251 2.423599581 1.653937063 0.754014589 0.539518542 0.656591484 0.184958837 0.748879687 0.293266768 0.529792187 0.209153571 0.170054598 1.391216505 0.877361292 1.079521514 1.008780086 0.431533747 1.546013303 1.602266648 1.532663254 1.355532644 0.532457101 palmitoleoylcarnitine (C16:1)* 1.059633383 0.974735189 0.852714071 0.708842153 0.490527908 0.993695704 1.062564173 0.820514513 0.646195986 0.589907285 0.458527045 0.586399938 0.712891348 0.351189557 0.703813213 1.658115926 2.742860493 1.217627554 13.59591362 1.446673109 1.120647012 0.962950882 0.709054407 0.675131065 0.806025484 1.910970404 2.697941142 1.498999 2.331384461 1.952808536 1.050568806 0.860466408 0.746711761 1.006304296 0.651653612 3.045448024 4.731287672 1.604102493 2.440699858 1.065981894 pimeloylcarnitine/3-methyladipoylcarnitine (C7-DC) 0.459983915 0.447181887 0.598737056 0.768817747 0.613489865 0.461506314 0.347374945 0.438904739 0.267463303 0.284776422 1.030425855 2.295907711 12.49119355 0.719008416 1.906232252 2.353513034 2.093243799 1.783847507 0.731412966 2.843378174 5.079148779 0.954940674 0.765082594 0.920400017 3.03950319 1.101361434 0.945721179 2.925126013 0.969574145 1.250475631 0.270638849 0.308388333 3.757372898 1.465602097 3.49746263 0.748912938 3.469597798 2.114338191 3.505406962 1.163573889 trans-3,4-methyleneheptanoylglycine 0.657164542 1.184094292 1.17233221 0.888044067 0.747397886 1.224581833 1.179770314 1.170381969 0.739143107 0.644292368 0.943131026 1.173834501 1.432865367 1.067399686 0.99805465 0.676349079 0.943025396 1.685002905 1.155752231 0.714253578 1.05251761 1.365483286 1.399380696 1.09581021 1.240069324 0.968257244 0.632690686 0.556253778 1 0.692991653 0.971506341 indolepropionylglycine 2.718226095 5.297706748 11.02283463 1.893242615 6.184708387 7.868303189 4.511980225 9.413886781 8.111701216 0.930394772 0.813872097 0.657921143 0.538755231 0.947037372 0.7596368 0.723659414 0.754472699 0.661249663 1.207175898 1.227293864 0.813994469 0.651386475 0.645414719 1.493942583 0.849971854 0.787904746 0.636506033 1.055801659 1.012310629 0.70799579 2.186715289 0.651092782 0.987689371 1.017499205 1.560023495 1.384786705 2-hydroxyoleate 0.789686938 1.033777488 1.090965043 0.617517461 0.517006517 1.056395882 3.335582366 1.275465777 1.358951145 0.863974019 0.690426436 1.166101804 0.655447606 0.606766451 0.740640217 0.930306782 1.407086133 1.001433367 0.826188855 1.033890016 1.585019278 1.314886099 1.051276196 0.882147789 0.829487292 1.142443486 0.485453364 1.084806102 0.481419923 0.590284824 1.222651571 0.826770184 2.038217466 1.585726405 1.277778425 0.873576026 0.955000025 1.032804968 0.998566633 0.434969193 2,3-dihydroxy-2-methylbutyrate 0.887850944 1.428316877 1.754376665 1.686066638 0.83785288 1.532830852 2.090177554 1.041889994 1.713051403 1.61860065 0.858073105 0.644347899 1.06066679 0.996756364 0.843757072 0.963985655 1.058893086 1.408565563 0.670541632 1.273539803 0.511010216 0.694647696 1.025327269 0.82398537 0.444759317 0.782480698 1.003243636 0.542887957 2'-O-methylcytidine 1.062406335 1.025539854 1.099713281 1.266140496 0.848102843 2.378097155 2.023441286 1.764133095 1.752151777 2.030546051 0.761565868 0.803960587 1.025205229 0.374033592 0.552749942 1.236676429 1.311799654 0.948903885 0.905111969 1.007070794 1.150330338 1.078330122 0.712016467 0.77513619 1.007156761 0.79652166 2.213444745 1.255278137 1.085362322 1.287265292 0.653165057 0.598434521 0.625827982 0.761442463 0.720000776 0.958257197 0.904290197 0.651975383 0.948698673 0.992929206 2'-O-methyluridine 1.773517326 1.922808954 3.043790248 1.766856792 1.295970561 4.050021466 1.867795155 1.868408464 3.217405704 1.299441889 1.179122968 0.477534499 0.375038332 0.812486967 1.226973321 1 0.715657774 1.244980067 0.946090156 0.766918123 0.960453849 1.334596749 1.252143514 0.646869059 0.46492487 0.303440662 0.632505366 1.043373198 0.775921496 0.320245324 0.672382705 0.710346519 0.65058571 gamma-glutamyl-alpha-lysine 0.8551882 0.99547969 1.524979649 1.774468995 1.225210666 1.006169859 0.840700431 0.868112913 0.921433782 1.125025089 1.155868641 1.197994004 0.846987071 1.334569593 1.185589297 1.110158542 1.636506185 1.253571919 1.00452031 0.869130376 0.474071011 0.638118659 0.705573728 0.690439868 0.974554463 0.699136507 1.852729352 1.419470017 1.25996537 2.744989639 0.622460379 0.697508225 0.883383919 0.813196708 0.881749419 1.636024015 1.563882627 0.645768879 0.930300513 1.27523367 palmitoyl-oleoyl-glycerol (16:0/18:1) [1]* 0.428028186 0.40168938 0.457464843 1.096523423 0.561775016 0.210117502 0.407614333 0.474064101 0.392712558 0.338955168 0.978619878 0.741921439 1.240113663 0.472485593 0.724929885 3.875670842 5.398851023 4.801580631 3.196397117 3.092228748 0.502152804 0.537151701 0.797551238 0.60132133 0.744004144 1.297774718 1.306750254 1.021380122 1.278537431 1.636164594 1.080910371 0.912369795 1.097621851 0.95469562 1.186097743 3.594638795 3.960878781 3.511182682 1.803978458 2.5003476 palmitoyl-oleoyl-glycerol (16:0/18:1) [2]* 0.348117933 0.276002345 0.33682648 0.865358094 0.499855848 0.23628283 0.284525685 0.4010403 0.352167144 0.398879213 1.241722379 0.666863674 1.536764535 0.436758874 0.807851434 4.238517051 7.344154551 4.646649224 5.005435053 4.281402087 0.441776416 0.436766545 0.671600715 0.604546046 1.002155797 1.162854137 1.974036405 1.077389958 1.775316896 1.941152067 0.997844203 0.792413832 1.290743125 0.956547879 1.044216126 4.934779366 8.875894535 4.080398764 2.078877102 2.495302502 oleoyl-oleoyl-glycerol (18:1/18:1) [1]* 0.594251202 0.574998368 0.71812188 0.766289974 0.685518621 0.371856947 0.440704913 0.498446721 0.524473808 0.275813071 0.860700384 0.82526385 1.007951919 0.361194068 0.732204216 2.890988917 3.995077245 4.099353539 2.419071278 2.464173351 0.750196119 0.857249518 0.858920054 0.708997812 0.562127018 1.321365991 1.680206141 1.307976517 1.192819453 1.351927593 1.247877112 0.992048081 1.035744339 1.179326976 1.071515914 2.75828903 3.143197864 2.684485484 1.965431347 3.424269862 oleoyl-oleoyl-glycerol (18:1/18:1) [2]* 0.457177075 0.404620971 0.442007404 0.63246289 0.585572562 0.345322255 0.226884408 0.362972953 0.404316604 0.302716951 1.334825748 0.584110727 1.200306812 0.393437227 0.824638934 2.951059402 5.111412288 3.732087186 3.41183202 3.871165906 0.626169875 0.66276399 0.734798675 0.595575623 0.800059012 0.956574004 2.521390183 1.341718973 1.530016864 1.519478301 1.226709235 0.965416344 1.162997536 1.362561935 1.034583656 3.579225381 6.934574583 3.415495077 2.334282732 4.987967192 stearoyl-linoleoyl-glycerol (18:0/18:2) [1]* 0.922823331 0.745344714 0.501329327 0.77542069 0.883852611 0.606191735 2.196548589 2.750058304 1.258446575 1.296959664 0.788654999 0.542567076 1.183026501 0.369074241 0.282032124 4.461952901 7.232399504 5.213281128 2.289114829 3.364154718 0.662702886 0.30282613 0.809192028 0.616894118 0.381115192 1.077176669 0.448030387 2.52009656 1.426263037 1.389339332 0.829385834 0.504728111 0.719365408 0.547274505 1.225843953 3.077212751 1.990131032 2.677470256 2.097367835 2.746490549 stearoyl-linoleoyl-glycerol (18:0/18:2) [2]* 0.565726935 0.357703845 0.407974879 0.667745963 0.606392754 0.655398281 0.953007044 1.255893462 0.957427818 1.102828501 1.388136108 0.718546271 1.340285229 0.237354371 0.353224192 4.703949296 8.075779 5.157346397 4.606643032 4.923156597 0.59128993 0.434993176 0.440150343 0.557754141 0.883546918 1.254636939 1.67785406 1.620998793 1.814943272 1.518743124 0.871165384 0.457868732 1.042572182 0.73770873 0.874879123 4.903953066 8.107473962 3.457891754 2.295940565 1.98537126 linoleoyl-arachidonoyl-glycerol (18:2/20:4) [1]* 0.705775394 0.631895625 0.7041132 0.450234453 0.673122138 0.501360079 0.96553127 1.137478421 0.582774529 0.587630646 1.235649133 1.191746628 1.101243061 0.761622032 0.918965983 2.192832871 3.003904767 3.061062765 1.509853751 2.468040003 1.074156945 1.03446873 0.72259971 0.751807896 0.573481323 1.036824523 0.882198052 1.448715827 0.891937637 0.885957823 0.872544373 0.701754123 1.092078678 0.927820879 1.065781491 2.082327703 2.230281118 1.754124449 1.546524993 1.867661013 linoleoyl-arachidonoyl-glycerol (18:2/20:4) [2]* 0.715098734 0.597326972 0.700958918 0.563296877 0.542864648 0.605870604 0.927037598 1.115413486 0.453830688 0.906462473 1.785120712 1.08133422 1.335269381 0.599489798 0.985564342 2.492574774 4.162018921 3.272966319 2.255169341 3.586429934 0.930568784 0.927492385 0.575321294 0.526784271 0.819622719 0.892177966 1.246955031 1.294910265 1.104792908 1.077400495 0.903665766 0.713459092 1.236131466 1.014435658 0.983731761 2.512561496 5.021201367 2.16211075 1.691574571 1.942100114 palmitoyl-arachidonoyl-glycerol (16:0/20:4) [1]* 0.41008277 0.195219557 0.290087785 0.308037676 0.37641919 0.17806864 0.457732275 0.407875544 0.318961379 0.365733866 0.539536413 0.678789089 1.130398852 1.454238305 0.845512131 2.257828979 5.18090504 2.812823316 2.558452183 2.809280859 0.498066987 0.271789791 0.869601148 0.84696404 1.316662394 1.3148902 1.254009701 1.30688036 1.466778503 1.819676999 0.865094744 0.572657556 1.442568558 0.350309168 1.700778865 7.323190576 4.283632237 4.316697359 1.305529289 2.368923584 palmitoyl-arachidonoyl-glycerol (16:0/20:4) [2]* 0.296184521 0.180188036 0.184612149 0.385671051 0.261839605 0.195504699 0.504303055 0.484213092 0.281515217 0.568781202 1.295706183 0.687245364 1.981068422 0.929571197 1.248138015 2.931621093 7.694779475 6.09198186 5.668721171 3.772215715 0.412667168 0.237784466 0.611278756 0.580616921 2.242029377 1.039596126 2.023369625 0.960403874 1.79729355 2.043797629 0.586276803 0.557742247 1.838668946 0.523842764 1.344425234 8.398372773 12.92214137 5.00781642 2.113788394 3.30602447 linoleoyl-linolenoyl-glycerol (18:2/18:3) [1]* 2.31719806 2.215723063 1.343413777 2.240255565 2.474104454 2.118463736 3.04352414 5.915080998 3.841550416 3.149725523 0.464673125 0.434483774 0.496859851 0.292037235 0.389064596 2.990101165 3.892089736 3.25605556 2.595040544 1.730347796 0.184804026 0.528697655 0.47276529 0.529307783 0.277853529 0.742669602 0.814767454 0.884643762 0.858221095 0.915983846 0.747928145 0.509434741 0.717319046 0.574776343 0.620233857 2.394882586 2.56954704 1.652915379 1.263517454 1.084016154 linoleoyl-linolenoyl-glycerol (18:2/18:3) [2]* 2.520368046 2.148218532 0.753590255 1.414979928 1.604344235 1.716673506 1.58850014 3.765444162 2.184033241 2.097110574 1.317217726 0.848071536 0.966409041 0.27991718 0.679574523 1.987197297 5.377732879 3.099610438 0.84973443 3.408177177 0.860845936 0.936771685 0.470997533 0.458216229 0.39309481 0.55187262 0.416546528 1.112777611 0.682352227 0.588224371 1.002655869 0.740767534 0.932004582 1.145371454 0.872944549 1.946952343 3.935263069 1.560885317 0.997344131 0.647814543 linoleoyl-docosahexaenoyl-glycerol (18:2/22:6) [1]* 3.764484037 3.710355438 2.719592533 1.622936305 2.705486713 2.050153453 4.471906274 4.367839247 1.57304143 2.250226963 0.726404727 0.650358075 0.993781055 0.212822159 0.29439687 1.694424898 1.467565069 1.72602411 1.25090243 1.641681504 0.56039423 0.697499942 0.386342461 0.348874178 0.197509884 1.006218945 0.651314643 1.349162925 0.550652403 0.518486902 0.421748916 0.287110769 0.278356548 0.391836303 0.308702645 1.231703199 0.924377733 0.841646428 1.473933597 1.048563866 linoleoyl-docosahexaenoyl-glycerol (18:2/22:6) [2]* 2.400031424 1.946043834 1.066988293 0.93414672 1.798562712 2.140950311 2.369301347 3.452990716 1.45755315 2.686122969 1.301168617 0.519479353 0.985484816 0.132563936 0.351108244 1.658624815 2.5501578 1.601304839 1.329719371 2.219308353 0.429413187 0.417650506 0.19695298 0.169970385 0.304366942 0.559439735 0.733518875 1.014515184 0.745138126 0.548812203 0.338790823 0.23906117 0.368652651 0.380294102 0.283418383 1.778684759 2.270160984 1.197605871 1.251251054 0.870194084 palmitoleoyl-linoleoyl-glycerol (16:1/18:2) [1]* 1.509249075 1.816131454 1.586095635 1.523613263 2.032246745 0.595962472 1.518120658 1 0.545425307 0.775745328 0.459576993 0.623729764 0.358786865 0.512669817 2.6167375 5.115193909 3.746301021 2.676419605 1.69377823 0.514531238 0.548825439 0.637934494 0.489562588 0.29110043 0.835662822 1.044549918 0.870263463 0.897485671 0.991567196 1.084622552 0.788437924 0.775640108 1.038326196 0.889769882 2.95654459 3.777039971 2.171702593 1.195552873 2.231825647 diacylglycerol (14:0/18:1, 16:0/16:1) [1]* 1.04239428 0.61485251 0.494277449 0.625207602 1 0.481861659 3.32856051 4.297250144 3.771846147 3.37905569 1.385024944 0.829120027 0.878402652 0.812295825 0.505245268 0.814962801 1.164846222 1.601801418 0.939291623 0.660174982 0.752006682 0.846689176 2.92557943 4.010706604 2.267752161 1.26588818 1.889393045 diacylglycerol (14:0/18:1, 16:0/16:1) [2]* 0.37940097 0.454502415 0.564005369 1 0.519313251 0.353902572 0.437332129 0.460889905 0.540480405 1.307708894 0.559705375 1.013045292 0.436360256 0.812017481 4.789386267 8.218084034 5.09257798 6.074301446 3.37416504 0.319218251 0.333577604 0.693345792 0.562931933 1.21753091 1.132713855 1.760464437 1.065406148 1.753544135 2.09447329 0.915107945 0.827889331 0.629003705 1.015490601 0.956815692 5.83492057 12.24590587 4.007426551 1.919157939 2.384360337 oleoyl-arachidonoyl-glycerol (18:1/20:4) [1]* 0.462945959 0.438703057 0.5390902 0.452608633 0.49791758 0.243330917 0.456418035 0.5046783 0.326397412 0.329651777 1.336943979 1.092439808 1.155613971 0.901150916 1.099710015 1.623098117 2.528720732 2.387951739 1.037109622 2.050434036 1.190008056 0.998130792 0.798229466 0.7674231 0.737473624 0.936153208 1.001869208 1.273024593 0.98808834 0.858338531 0.950170361 0.879631953 1.33847235 1.023829794 1.051103633 1.878550394 1.986767465 1.927889141 1.092189747 2.093178831 oleoyl-arachidonoyl-glycerol (18:1/20:4) [2]* 0.345327002 0.271481423 0.380821761 0.415826419 0.414338015 0.353955188 0.381375353 0.412616762 0.33188986 0.430091703 1.617584641 0.946574157 1.226043954 0.731474904 1.084709624 2.022019268 3.230568167 2.661075115 1.909766887 2.888665502 1.009770604 0.842979664 0.599278037 0.599648126 1.013340227 0.907368712 1.464616754 1.190431329 1.116043689 1.114308156 0.827499654 0.74987051 1.323933232 0.990229396 0.951055126 2.405470476 4.195938996 2.267032635 1.587550985 2.565959767 palmitoyl-linolenoyl-glycerol (16:0/18:3) [2]* 1.23267016 0.576084337 0.482285419 1.791576406 0.96783459 1.005070607 0.994929393 2.650004551 2.046277365 2.669587065 0.430533251 0.914539214 0.386295259 7.456069282 7.121946894 3.01414497 7.229822394 2.59554328 0.201810251 0.556602755 0.348342349 2.257179901 0.795016081 2.223908494 0.456050888 0.459569326 0.475732446 0.354456696 0.316114211 6.6360289 8.325095189 1.806962263 0.554141735 2.886190791 diacylglycerol (16:1/18:2 [2], 16:0/18:3 [1])* 1.117633709 1.00655338 0.862411384 1.141869623 1.425718353 0.723141482 0.460423628 1.43980915 1.062045118 1.045070692 0.951687525 0.486441004 0.797591901 0.300507998 0.596742082 2.990776421 4.946548588 3.070591395 3.500400596 2.283895494 0.412088768 0.465092931 0.557636563 0.534944082 0.425778415 0.817654077 1.257099975 0.658932146 0.99344662 1.231684324 1.0377651 0.77224695 0.777456143 0.978304189 0.7887923 3.197341193 5.657565354 2.565088875 1.258886535 2.152436058 linoleoyl-linoleoyl-glycerol (18:2/18:2) [1]* 1.351516121 1.276971617 1.02043119 1.021476499 1.341369642 1.010767072 2.088832283 2.596140205 1.565130442 1.277123906 0.591452425 0.567446108 0.640491235 0.226706264 0.391795496 2.379785772 2.974727207 2.871615717 1.902268199 1.927222631 0.415963622 0.65067697 0.500350613 0.479923055 0.248149982 0.694724551 0.692287437 0.989232928 0.596848132 0.730234497 0.663013922 0.493612781 0.579730854 0.624670823 0.656847883 1.537096804 1.833095444 1.379368186 1.264600146 1.047703476 linoleoyl-linoleoyl-glycerol (18:2/18:2) [2]* 1.354803513 1.081362983 0.674040538 0.898020331 1.288054081 1.388531223 1.547170528 2.64763154 1.881896088 1.707788778 1.052650563 0.595229649 0.603946523 0.201979997 0.416619047 3.412089064 5.858939452 2.953130526 3.111100456 3.432576188 0.441969896 0.610278866 0.462346515 0.424630195 0.317309988 0.665100759 0.940103118 1.132387397 0.933181013 0.947349437 0.837304643 0.575075451 0.583780927 0.844814178 0.695104354 2.769976055 5.012417995 2.193144431 1.451826445 1.345539213 palmitoyl-palmitoyl-glycerol (16:0/16:0) [2]* 0.99920331 0.192870068 0.549913569 0.187582495 0.714426605 2.345998434 4.694697914 2.86585892 2.861169604 2.307093898 0.385410404 0.274296331 0.662538095 0.956401212 1.001268583 1.00079669 0.485718319 0.447070461 0.347380548 2.991848489 5.922046792 2.027016381 1.052649661 1.212961071 stearoyl-arachidonoyl-glycerol (18:0/20:4) [1]* 0.724170322 0.668652077 0.710718889 0.979325675 0.756687621 0.57126314 0.605489073 0.57316366 1.138161575 1.039913383 1.345291064 0.678646384 1.529955055 0.775614512 1.141656091 1.074730848 1.499862435 1.572693468 0.935704374 1.398182161 1.121171183 0.719372109 0.853057163 0.704124565 1.675320827 0.898456233 1.149160815 0.940342094 0.97674403 0.867159386 1.107481303 0.812408687 1.132546435 1.147554121 1.020674325 1.513129388 1.742187517 1.618422343 0.978136969 1.533624173 stearoyl-arachidonoyl-glycerol (18:0/20:4) [2]* 0.755412944 0.65063525 0.741600547 1.226739219 0.841799662 0.75518297 0.663660159 0.696918889 1.380642129 1.605043058 1.412515786 0.626142549 1.688467114 0.668114605 0.950037425 1.815066672 2.279077759 1.884425272 2.158427481 2.246973257 0.982722526 0.80616366 0.879142178 0.775101011 2.34284206 0.884166333 1.287300866 0.943327228 0.980191502 1.017277474 0.949247324 0.83806258 1.15029889 1.146880636 0.907106707 2.007537321 3.401712655 1.663122463 1.660306149 1.107565045 1-oleoyl-2-arachidonoyl-GPI (18:1/20:4)* 0.542722632 0.755764091 0.853071422 0.790533604 0.793399389 0.971394683 0.801795833 0.686213617 0.681910875 0.715495262 1.169202382 1.032132239 0.975108499 1.17320483 1.123283931 0.817116247 1.035902219 0.845585913 1.028006977 0.892864616 1.207723368 1.105200434 1.258675021 1.109480817 0.898205814 0.925819425 1.528228747 0.95538061 1.024891501 1.058961043 0.760599166 1.041467006 0.814476405 1.031057088 0.6463082 1.186146648 1.629565913 1.25098058 1.391782298 1.694743466 perfluorooctanesulfonate (PFOS) 2.69894904 2.751817313 1.985948623 1.805616783 2.770543512 3.193705005 3.396514742 3.096330386 3.250381494 3.013897972 1.075733721 0.69939849 0.767297781 0.766592655 1.177355241 1.256802982 1.916970113 1.838227497 2.302509655 2.054305438 0.565903678 0.772543162 1.1541157 1.078758764 0.67685331 0.924266279 0.886022634 0.841928061 0.824154589 0.815012178 0.498391937 0.453078196 0.55277004 0.470531401 0.394189442 0.740804435 1.115702502 0.756174559 0.722664944 0.533521726 N-palmitoyl-sphingadienine (d18:2/16:0)* 0.578441223 0.434306367 0.448004858 1.158316805 0.636986361 0.826955169 0.414497654 0.532516987 1.735204261 0.996157083 1.114619101 0.809145821 0.685094901 0.883949452 0.991332687 1.132145946 1.707651467 1.403803308 1.979358339 1.618826068 0.682754784 0.650623691 0.98722911 0.781574096 1.277591384 0.743281813 0.944119711 0.923849382 1.132134297 1.212309856 1.299533433 1.210161959 1.003842917 1.182524704 1.075706476 2.259269453 3.010079829 1.491335599 1.405233298 0.937086257 palmitoyl-docosahexaenoyl-glycerol (16:0/22:6) [1]* 1.117186373 0.706214111 0.728997522 2.081934776 0.785283274 0.579053833 1.889442959 1.615341819 0.67878989 0.944813027 0.929398828 0.717090838 1.055186973 0.551453807 0.480220382 5.422859864 7.13285999 6.698549891 4.643640132 4.8777243 0.863775282 0.836014889 0.55898939 0.524553569 0.445052185 1.959213348 1.635060656 2.28863846 1.640968975 1.523377608 0.717946277 0.497700069 0.619453286 0.5430645 0.731437346 4.866387909 4.082516217 3.037407132 4.065443882 2.531573316 N-behenoyl-sphingadienine (d18:2/22:0)* 0.170279102 0.357399264 0.329432764 0.491010308 0.427414755 0.277792459 0.090556748 0.114760617 0.389505636 0.288861833 1.209100885 1.016149399 0.568105328 1.127365593 1.11631703 1.182262382 0.900744567 1.121902658 0.566528492 1.004881542 0.823017601 1.362171004 1.132685334 1.097545966 0.840089914 1.15676123 0.585059141 1.133240558 0.995118458 0.828062759 1.981414839 1.60823076 1.259820062 1.575268489 1.533054407 0.816572968 0.989272069 1.066829284 1.358132858 1.065796645 glycosyl-N-behenoyl-sphingadienine (d18:2/22:0)* 0.206583688 0.407916356 0.509366218 0.621595356 0.637767114 0.313721823 0.287062131 0.243414885 0.426448525 0.44598579 1.7475328 1.382434969 0.60609064 1.866900132 1.527270244 0.874645183 0.791129574 0.622782404 1.731455059 0.73356787 0.969860863 1.303852965 1.381168462 1.35161664 0.770519185 1.282974858 0.951288429 1.271564215 1.392794535 1.260230272 1.729120017 1.659244193 1.011646107 1.257551686 0.988353893 1.416426577 1.113281834 1.027399562 1.322717134 0.71277964 sphingadienine 0.785442576 1.051165394 1.053344586 1.377151119 0.88934898 0.603071222 1.182462592 1.100069131 1.63402382 3.327340263 1.351300848 0.477536074 1.782947559 1.369845035 1.35293261 1.157535232 1.021532242 1.102420272 1.092080514 0.96838066 0.641865052 0.493988799 0.712767749 0.678025252 2.028173339 0.872592712 0.777818913 0.549673998 0.673666868 0.978467758 1.331042433 0.959033997 0.65249607 1.024164117 1.153497937 0.633179866 1.023848292 0.816307445 0.653361079 0.57947559 glycerophosphoserine* 0.907440695 1.081158054 0.930881416 1.351805413 1.212385879 0.917061941 0.657079852 0.741498173 0.998447799 1.262072903 1.2613443 1.150286784 1.074381126 0.895971195 1.084727286 1.344226099 1.001552201 1.040738121 0.81505939 1.142952797 0.89571849 0.920088871 0.954536106 0.993369714 1.323922982 0.827061969 1.37845752 1.102730232 0.928083212 0.903301493 1.450889864 1.186432862 1.241692314 1.26849383 1.01549895 0.810261679 0.656216596 0.962716748 0.742223087 0.933471184 palmitoleoyl-arachidonoyl-glycerol (16:1/20:4) [2]* 1.020058689 1.014348476 0.599963026 0.528328467 0.748326885 0.561760451 0.52869775 0.782908206 0.439945319 0.191493402 1.874297821 1.607843575 1.473476918 0.478354419 0.981469506 2.6354826 3.698305195 4.466027199 0.660275636 3.855459362 1.307209206 1.648105475 0.752755092 0.755954179 0.764801019 0.781896096 0.770179333 1.068017179 0.685250578 0.706528585 1.139941694 0.743956578 1.050810862 1.539384396 0.990254343 1.107250101 1.833500689 1.748536829 1.249360308 1.009745657 heptadecasphingosine (d17:1) 0.874498785 0.827497633 0.630430457 1.474696558 0.658546733 0.781762709 0.707839153 1.335345228 1.512393953 1.364468456 0.518694942 1.182294524 1.201908988 0.981265866 0.952727514 1.268584901 1.145803059 0.950960825 1.239702859 0.768220106 1.06619354 0.892412887 2.167003322 0.767858327 1.087417921 0.703437506 0.998498616 0.845086134 1.964171797 1.192201246 0.991781582 1.610984823 1.802323829 1.001501384 1.588831875 1.063534462 0.82406676 0.609616092 ceramide (d16:1/24:1, d18:1/22:1)* 0.219988147 0.543096141 0.555840872 0.723582913 0.662956751 0.326250639 0.300659464 0.180283845 0.906339099 0.879717906 0.587622076 0.985504586 1.096697866 0.844938438 1.184286079 1.058179374 1.217514566 1.017904991 0.9581729 0.775881115 1.211391022 1.058323259 0.806270604 0.920009159 1.188887916 0.731009856 1.029395443 0.909006427 1.548300062 1.3534759 1.073895082 1.361304729 1.100827363 1.449245212 1.0964225 1.179425249 1.014495414 2.468899149 glycosyl ceramide (d16:1/24:1, d18:1/22:1)* 0.28701278 0.699463514 1.100190846 1.028750843 0.818333543 0.402843848 0.14589294 0.136663583 0.201624433 0.186137022 0.842732869 1.218957097 0.415030232 1.760259488 1.880494957 0.677677614 0.712333847 0.589446309 2.743980666 0.525690287 0.835605886 0.901737967 1.607220974 1.318685261 0.982783529 1.672012313 1.967530663 1.043638695 1.326867082 1.26257418 1.017216471 1.363665261 0.804353528 0.809741193 0.776807945 1.939270855 1.108334092 1.71857819 1.89449655 3.140553446 ceramide (d18:1/14:0, d16:1/16:0)* 0.374791246 0.34488016 0.526329713 0.586121595 0.405639326 0.549183059 0.776458448 0.738063938 1.784390581 4.77318503 3.06751198 2.797995158 2.052176793 0.280330613 0.816844069 0.734206918 1.088636735 0.604138522 0.911363265 0.514795002 1.235754774 1.24887268 1.114268751 0.8670661 1.318579728 0.728271954 1.678786998 6.641575845 9.087265575 2.775515397 2.039394105 1.709661329 ceramide (d18:1/17:0, d17:1/18:0)* 0.713050682 0.571582197 0.337929061 1.224592213 0.522132691 0.648051811 0.592616914 0.587194819 0.681515174 0.646379998 2.241009112 4.664766925 4.111541532 4.691184577 2.876936516 0.542251676 0.810497778 0.765780556 0.964428044 0.926072746 1.724931094 0.914059794 1.389197982 1.57329317 1 1.128693426 1.036553957 0.99159274 5.201626629 5.951535507 1.85171775 2.463387303 1.405913096 ceramide (d18:2/24:1, d18:1/24:2)* 0.743285979 0.988448326 1.366785135 2.091206767 1.354522654 1.887268626 1.038984475 0.989649704 2.047646662 1.461361565 0.67309087 0.449535719 0.560078019 0.580301431 0.706648919 1.597635449 1.817750146 1.627047762 2.914571552 1.69762042 0.545073064 0.636825928 0.628580338 0.613742058 0.890175249 0.760925351 1.488898492 0.787247042 1.010350296 1.142041715 0.85266417 0.713078116 0.711468663 0.888744083 0.696169496 2.175656603 2.071427762 1.077768658 1.818335198 1.829619159 glycosyl ceramide (d18:2/24:1, d18:1/24:2)* 0.770376486 0.94579561 1.324061186 1.381174175 1.143787013 1.742890623 1.014352919 0.991384099 1.186426559 1.045403668 0.815231326 0.857593447 0.614575575 1.008615901 0.98070801 1.119486404 1.170290108 0.90014103 5.411694156 0.884309413 0.6490338 0.723167 0.792154918 0.793018186 0.661167966 1.401703046 1.915273195 1.224079899 1.685286059 1.847006375 0.703784969 0.822435387 0.719320718 0.789298961 0.740704147 2.861365185 1.56911427 0.957129268 1.688161996 1.166116451 glycosyl-N-tricosanoyl-sphingadienine (d18:2/23:0)* 0.626175937 1 1.359043873 0.881492785 0.964180494 0.953298738 0.683098244 1.429053442 1.069257158 0.564334739 0.627191693 0.60586552 1.023719783 0.764210591 1.76024397 2.01209502 1.186226631 5.095424631 1.487948479 0.628369688 0.745677747 0.91855377 0.911657446 0.593951549 1.379932706 2.053204922 1.423504405 1.514066574 1.262053285 0.984175839 0.958511541 0.95883837 0.884093308 4.534492204 4.278183114 4.042073929 2.01377619 glycosyl ceramide (d18:1/23:1, d17:1/24:1)* 0.262410346 0.682354247 0.728277036 0.848346512 0.924117474 0.930386162 0.46551138 0.474133997 0.541215721 0.519043729 1.161505944 0.923858394 0.634503689 1.25068458 1.245952398 0.822820222 0.823525555 0.550021282 3.164206725 0.719234603 1.203938022 1.190858164 1.382716167 1.314495547 1.076359445 0.994630692 1.812616157 1.010653491 1.259683658 1.383464856 0.940502986 1.591036877 0.908200422 1.005369308 0.988755383 2.094769485 1.071584964 1.159453393 1.208384687 1.303444976 ceramide (d18:1/20:0, d16:1/22:0, d20:1/18:0)* 0.159386877 0.247562123 0.261504394 0.426124123 0.299909866 0.211969052 0.117191814 0.141544674 0.40379451 0.225344528 0.941438693 0.830225061 0.520960836 0.76720625 0.935425073 1.745388262 1.727596701 1.889370491 1.700904441 1.774355641 0.704381065 1.070213814 0.982703183 0.975653345 0.730086073 1.212601638 1.01273171 1.354846478 1.252972336 0.98726829 1.490640247 1.1141134 1.156550944 1.215054621 1.529224253 1.926031977 2.051517785 1.200343543 2.18252912 1.238985794 linoleoylcholine* 1.476981818 4.625177273 4.569545455 0.774727273 1.043177273 0.241904545 1.320245455 0.461918182 2.066513636 0.293136364 7.647209091 1.295890909 0.956822727 0.413768182 0.368313636 2.267927273 2.621081818 3.446922727 3.336286364 0.406736364 0.827104545 0.382868182 0.418072727 0.440413636 0.487286364 2.142431818 1.812018182 1.309059091 1.566895455 3.01695 0.232331818 0.621672727 0.626213636 0.519131818 docosatrienoate (22:3n6)* 0.33105315 0.23761649 0.405657276 1.832157828 0.335588615 0.355442849 0.370869781 0.277353139 0.346446623 0.415617495 1.062311535 0.822394881 1.029117962 0.970882038 1.409405442 1.434332382 2.497093035 1.341828402 1.07059785 1.71808903 1.516480705 0.624305243 0.653212513 0.508029325 1.11163041 1.572011185 1.882005446 0.649411114 1.149081657 0.819323523 1.381578918 0.528992934 0.914971328 0.900987836 0.412447724 2.912080691 2.076577292 2.86531472 2.183533565 4.153520499 nisinate (24:6n3) 1.663796559 1.363787171 1.500779844 5.239643516 1.267595007 0.955427317 1.450164446 1.20127289 1.878700098 2.023554411 0.938147399 0.760187379 0.850305361 0.557289773 0.84731656 1.621395655 1.878858395 1.493801734 0.811569677 1.665703959 1.044572683 0.616500065 0.534531201 0.522787119 0.615213123 1.194661058 0.917228759 0.824265803 0.637131923 0.417706307 1.081261848 0.625146038 0.730967601 0.634361564 0.409732743 1.68835793 0.86391448 1.602226119 1.81164438 1.747031096 sphingomyelin (d18:0/20:0, d16:0/22:0)* 0.244612007 0.249314712 0.788697388 0.587962318 0.276039131 0.568375862 0.524405109 1.107241888 1.113651784 1.082614461 2.629010232 1.25110581 0.615845565 0.811825076 0.980058761 1.249423724 1.24133042 1.278652111 1.549034518 1.593031699 0.92724021 0.86743433 0.977351303 0.704582528 1.019941239 1.74055049 1.749978363 0.797517437 4.484072048 1.320067363 sphingomyelin (d18:1/19:0, d19:1/18:0)* 0.32400992 0.334572748 0.269783997 0.269913526 0.271028558 0.33721145 0.283558382 0.274714921 0.293238768 0.366742452 1.525955221 1.08047098 0.592829869 1.107526496 1.381814733 0.981267022 1.120543757 1.528992335 0.986508534 1.25876461 0.822775686 1.585852147 2.256199896 2.075708083 0.891590261 1.368147421 0.641287141 1.150406402 0.949117769 0.77063546 1.472559005 1.429518692 1.013491466 1.334264966 1.176402828 0.622972626 1.242806881 1.467588581 1.861336021 0.650293415 sphingomyelin (d18:2/18:1)* 0.520440491 0.561585781 0.598162648 0.592343659 0.545471202 0.625916891 0.675705792 0.459822751 0.446201303 0.571391084 1.325823614 1.017316917 0.787148605 1.268744865 1.105964791 1.132533754 1.152030634 1.302162672 1.181606601 1.278671476 0.833729164 1.16713684 1.135435035 1.154283676 0.755637607 1.074671137 0.71262805 0.953455875 0.852967421 0.982683083 1.824988043 1.453105114 0.892002459 1.22816947 1.092918713 0.717338841 1.088592064 1.175590908 1.710708815 0.83877313 sphingomyelin (d18:2/24:2)* 2.071702789 1.983661485 2.572673567 2.10770121 2.205326571 3.606511431 2.650833946 2.510467233 2.62035743 2.633753389 1.104553227 1.000675958 0.854907984 1.120993943 1.310431271 0.93690383 0.870346673 0.946248394 1.553112788 0.999324042 0.744159712 0.830245886 1.060510675 1.061135405 0.973388663 0.940091258 0.707133907 0.970055491 0.935156175 1.289617191 0.988567625 1.080569137 0.713106621 0.98413253 0.869016016 0.800210958 0.838588423 0.945253283 1.249712353 0.521395778 sphingomyelin (d18:2/21:0, d16:2/23:0)* 0.339311891 0.554329517 0.440360131 0.446090957 0.27132145 0.374425957 0.300878855 0.269041925 0.349867284 0.263060949 2.568662346 1.772806555 0.864710658 2.189854922 2.366286262 0.689485673 0.748657258 1.1453026 0.552884537 1.013374917 1.696140262 2.618394395 3.621470899 3.500965596 1.672951864 1.502942892 0.67308505 0.986625083 1.041742615 0.741152756 2.803471707 2.703009997 1.66063603 2.576438341 1.733743875 0.407382585 0.763685897 2.472293961 1.239014101 0.766822164 sphingomyelin (d18:2/23:1)* 0.775396715 0.842865576 0.859255448 0.880039915 0.926467835 1.356567281 0.959836131 0.826507316 1.102937992 0.972206503 1.237697453 0.900607667 0.725927611 1.143999519 1.19997432 0.864360153 1.017975478 1.141460202 1.160564718 1.02355435 0.869073141 1.173316053 1.506102818 1.490462814 1.028654167 0.982024522 0.913161839 0.936256199 0.834453437 1.104075014 1.0583836 1.176835314 0.883063175 1.106921969 0.945832409 0.771374609 1.2382469 1.463228703 1.374570948 0.741684282 sphingomyelin (d18:1/25:0, d19:0/24:1, d20:1/23:0, d19:1/24:0)* 1.099604348 1.154842921 0.707241512 0.291361407 0.940320991 0.820594813 0.997821582 0.841221457 1.037660106 0.990511422 1.104802005 0.344403877 1.249259257 1.000893875 1.24998111 1.073265585 1.73490501 0.438712499 1.809656099 0.565813145 0.987226914 1.754782472 1.583677781 0.893389345 1.187789283 0.977521298 0.892501901 1 0.849394946 0.751518864 1.205579966 1.431080801 1.434464985 1.45900796 0.317568339 0.536578935 1.371626868 1.488769491 0.672983275 sphingomyelin (d17:2/16:0, d18:2/15:0)* 1.108267743 0.882523503 0.922374409 0.428430798 1.318346362 1.096105744 1.004080847 1 1.621510361 0.730265837 1.40295235 1.262789563 0.860145962 0.708501318 0.592282187 0.989368319 1.531610906 0.754952278 0.751148857 0.538452589 1.547258628 1.082431326 1.656846382 heneicosapentaenoate (21:5n3) 26.55327873 17.56254914 13.14241498 44.31544272 10.89193479 13.44520357 22.1704153 17.39613957 27.82412595 30.20010251 1.01296265 0.433514794 0.545675302 0.586294921 0.868218867 1.28028682 1.280366437 1.732959465 0.403514097 0.488266438 0.369940586 0.732760422 0.405146247 0.434714026 0.822662991 0.620271494 0.431638817 1.059583404 0.98703735 0.502597506 linolenoylcarnitine (C18:3)* 1.104527355 1.000642697 0.860593885 0.890035931 0.595784954 2.353114732 2.329053807 2.171413075 1.815455922 1.273802174 0.410727893 0.608294502 0.666062688 0.325955572 0.505871506 1.651498949 2.563458905 1.585448012 4.336753972 1.741349122 1.241294434 0.687180403 0.564713114 0.565008248 0.676373867 1.067696549 1.19239972 1.001062575 1.0733371 0.792215769 0.767348986 0.628008859 0.637115997 0.770231181 0.575428352 2.046054552 2.644295496 0.999357303 1.55132901 0.747302886 behenoylcarnitine (C22)* 0.161271852 0.243203071 0.266666492 0.359643755 0.282223119 0.263364674 0.229702787 0.164746725 0.43449216 0.300010455 0.962381766 1.131732156 1.008554768 1.095690758 0.877515161 0.933917439 1.002363451 0.826109201 2.140146645 0.768043888 0.899231641 1.172118293 1.01645894 0.997636549 1.092944815 1.272573644 1.019498552 1.18409582 1.413862848 1.355916182 1.014524522 1.076293482 1.766713525 1.190621449 1.684824914 1.145139357 0.863584861 0.808612257 1.090378483 0.749656757 arachidoylcarnitine (C20)* 0.19708389 0.260634652 0.322117281 0.468694239 0.311586488 0.491611014 0.301402205 0.2911124 0.39275797 0.357520332 0.948014336 1.00625716 0.948230133 0.865396444 0.812681158 1.173251166 1.308889977 1.131902768 11.4361783 0.973803967 0.827508401 1.009565412 1.038333896 0.99374284 1.008371874 2.794573706 3.721347732 2.276229543 3.713727345 3.164760461 0.802750698 0.810400555 1.16565597 1.028961941 1.41544659 2.01670905 1.618905995 0.984053845 1.764638778 1.065322293 lignoceroylcarnitine (C24)* 0.301543496 0.416909514 0.400430028 0.497515918 0.482299256 0.43617366 0.331812817 0.360080169 0.563295309 0.447562263 1.008848817 1.051974287 0.953096238 1.073904332 0.991151183 1.015781059 1.135718806 0.894841762 1.764628372 0.800578988 1.03032135 1.035372646 1.115544725 1.053892558 1.068946348 1.177867043 1.089721585 1.195939056 1.296538007 1.110884209 0.828849167 0.952001941 1.180821927 1.023816081 1.293190647 0.944778452 0.771527814 0.811353427 1.095161964 0.906786845 arachidonoylcarnitine (C20:4) 0.813835394 0.991341115 1.080072227 1.000042557 0.656757743 2.189635124 1.961271905 1.694635436 1.41301293 1.114639591 0.758342872 0.863553166 0.917403855 0.555085828 0.696067203 0.96989252 1.541858211 1.184941649 3.43426474 1.148796235 1.477134537 0.999957443 0.874803201 0.905582702 0.885724494 1.639502398 1.600747116 1.384602596 1.279592852 1.00055993 0.66939929 0.550346451 0.634257045 0.861792132 0.535288057 1.393252384 1.870073966 0.997013395 2.128779407 0.956854474 eicosenoylcarnitine (C20:1)* 0.266516475 0.38918549 0.434440137 0.475043576 0.380365412 0.596903929 0.510918421 0.432591277 0.33585323 0.491493426 0.768503556 1.006071962 0.973680706 0.637263401 0.781830328 1.361355781 1.989219179 1.382178376 13.29675601 1.364160616 0.94173667 0.957143215 0.959460428 0.993928038 1.21496579 2.635645765 3.551933184 1.988777864 3.085973853 3.081597379 0.985057302 0.769919182 1.023834568 1.145893202 1.009721199 2.957541019 2.901635459 1.195413062 2.216144442 1.233380112 dihomo-linoleoylcarnitine (C20:2)* 0.437226528 0.709332165 0.624347948 0.610589101 0.428221931 1.402932217 1.040430153 0.938045602 0.865905103 0.994897743 0.787236563 0.72086917 1.005102257 0.468266638 0.708706735 1.668213977 2.118052218 1.558893842 10.05414726 1.536675425 1.098800758 0.965744971 0.871745723 0.919454556 1.095187503 1.908181472 3.064579486 1.982818167 2.453806868 2.26666458 0.886875728 0.690114462 0.969979973 0.877691298 0.911066183 2.472767402 2.337233832 1.222965496 1.798402852 1.154873413 dihomo-linolenoylcarnitine (C20:3n3 or 6)* 0.564059569 0.72778643 0.874542147 0.744210331 0.51992644 1.864257411 1.447733166 1.294344154 1.230801477 1.038188392 0.629408049 0.71431498 0.757550897 0.419053698 0.59640186 1.370761719 1.522527974 1.086953635 4.624149973 1.253232712 1.181835167 0.817568272 0.68782448 0.752683573 0.797580185 1.533925215 1.720223677 1.143709372 1.415632724 1.071133882 0.61490566 0.557598888 0.756460207 0.744363027 0.533519288 1.734592338 2.083833312 0.966654274 2.071146211 1.033345726 erucoylcarnitine (C22:1)* 0.44460678 0.438765091 0.493573664 0.355008716 0.302278091 0.398554762 0.406541352 0.922613767 1.063732511 0.913737652 0.832195523 0.98783121 0.847243311 1.213449992 0.880280057 5.369898685 0.730926038 0.96877578 0.963357333 1.279595219 1.288301558 1.164009651 1.53747839 2.025712516 1.155884371 2.256063472 2.185929732 0.921480341 1.110317766 1.480921853 1.321546338 1.320116403 1.47284918 1.067008448 0.901831894 1.131991554 1 pentadecanoylcarnitine (C15)* 0.736149425 0.850199572 1.093981265 0.967048445 0.826719107 1.813223578 1.703168421 1.410619218 1.32015718 1.341713266 0.488212293 0.524220005 0.614123517 0.388427935 0.482147708 1.229165048 2.028405655 1.426446851 7.987661636 1.384935112 0.860694797 0.707827042 0.580888129 0.630674187 0.6761078 1.478627466 2.075728103 1.310902899 1.811893269 1.719370774 0.621415845 0.406179946 0.697856831 0.793278588 0.61893294 2.248481442 2.888704406 1.032951555 1.485424229 0.649017221 docosahexaenoylcarnitine (C22:6)* 2.039072086 3.590562037 2.801239718 2.060458332 1.600494123 7.048659499 5.06483981 4.904266495 3.212486523 3.222539934 0.577329366 1.078477815 1.083049553 0.442046749 0.436129409 0.60165498 0.633706775 0.488227363 2.384141751 0.647741843 0.95724681 0.878893077 0.66295707 0.630320711 2.210437789 1.600951848 1.180572598 1.553205042 0.584663999 0.367829087 0.575823836 0.696018066 0.578090403 0.625544927 1.04275319 0.799392273 nervonoylcarnitine (C24:1)* 0.369726565 0.397331099 0.45986839 0.608523471 0.540904683 0.432443311 0.38273751 0.477283569 0.539982065 0.351911923 1.08530619 1.090099749 0.916756014 1.040496348 0.979234501 1.000635187 1.279891435 0.851305885 1.820372322 0.799120167 1.067163056 0.999364813 1.091621562 1.030384047 1.071628122 1.133861253 1.032595289 1.214066176 1.270192792 1.16724381 0.903152972 1.069699749 1.115986793 1.178628513 1.245924892 0.822224149 0.69369938 0.812739431 1.009982019 0.746618123 adrenoylcarnitine (C22:4)* 0.464114695 0.437282358 1.070642772 0.763870968 0.505162883 0.763545998 1.357878136 0.720038232 3.594876941 0.803600159 1.145137395 0.929357228 1.222225408 1.557103943 1.408598965 1.61418399 1.154816408 0.45780008 0.585156511 1.371584229 docosapentaenoylcarnitine (C22:5n3)* 1.103342153 1.78151084 1.730015785 0.915378675 0.728914226 2.985117594 2.635264658 2.335578091 1.314341847 1.744364446 0.680962331 0.34205685 0.38190036 2.010220653 0.625356303 0.533773578 1 0.287654587 0.588578989 glycosyl ceramide (d18:1/20:0, d16:1/22:0)* 0.219804293 0.296590675 0.371556863 0.380641223 0.355821884 0.171795857 0.140584634 0.117517409 0.191553109 0.170951924 1.115649173 0.981051652 0.49253005 1.060862902 1.211743539 1.132415367 0.968592839 0.859875382 2.219378842 1.027512337 0.6341696 0.929056029 1.147349747 1.120497837 0.546676053 1.349594801 1.071561004 1.338078674 1.451766552 1.105396854 1.018948348 1.066250292 0.710903701 0.792217625 0.845899023 1.865565945 1.368925091 1.059959368 2.074673762 1.031723752 N,N,N-trimethyl-5-aminovalerate 3.892078398 4.410046308 3.921710134 4.24273485 4.361301603 3.782333616 5.150978518 3.546741052 3.181953878 5.19490257 0.720405817 0.561629594 0.966281869 0.745531689 0.787612405 1.474691028 1.754774186 1.300199725 1.805741169 1.690473436 0.479093991 0.666057007 0.530638735 0.535003068 0.758684797 0.619702384 1.194189858 0.715637628 0.975359771 0.481953039 0.379716435 0.279811803 0.790736304 0.43710804 0.557651235 1.425097099 1.59987085 1.024640229 0.972524035 1.054379342 carotene diol (1) 0.920212845 1.662290192 1.079787155 1.917436326 0.609515056 0.539031899 1.120296673 0.749719689 1.829064302 0.280953931 (N(1) + N(8))-acetylspermidine 0.993045846 0.925613827 1.419248592 1.314166328 0.863991491 1.213565936 1.953369328 1.040912063 1.006954154 0.699532253 0.796872359 0.948308497 0.901550491 0.611109588 0.563748961 1.406163187 0.89414335 0.821232239 6.981980076 1.201577507 1.094724829 1.169671917 0.728896959 0.768647528 0.768082357 1.829756954 2.812779532 1.819189283 2.575153154 2.487129513 0.505842112 0.542434194 0.722721277 0.695843663 0.667795873 1.530998509 1.372013256 0.743355456 1.366503181 1.009885892 isocaproylcarnitine 1.09847244 1.063995901 0.62856545 0.921171057 0.712700325 1.352570347 0.706408249 0.651571456 0.562284582 0.590449802 0.40233692 2.140703433 0.410897126 0.865641558 1.278472488 1.142326962 1.578187949 1.149778358 0.758536755 0.453844877 0.602598608 0.658484081 1.879445162 0.528753298 1.193300959 0.669788653 0.491395297 1 1.038091596 1.098436361 4.254915685 3.067360815 1.477182805 2.659188813 3.153657991 5-dodecenoylcarnitine (C12:1) 1.383802583 1.025815194 0.821353264 0.959910518 0.466684107 0.79257786 1.085524413 0.642276979 1.023806946 0.848907595 0.567991958 0.870794811 0.974633718 0.572295741 1.033773104 1.362833345 1.602151141 0.769081122 2.740455487 1.1600003 1.686204735 1.167548815 0.979239806 1.049498847 0.956513647 0.982756808 1.466319366 0.765409213 0.910738871 0.866491818 1.065015546 0.956458718 1.098094733 1.110351289 0.892922289 2.370977379 1.882875517 1.017243192 1.244646253 0.881317762 2-butenoylglycine 1.162158635 1.166028757 1.072837111 0.652113132 0.388375076 0.923031747 2.974881851 2.221779102 0.768201748 0.458087477 0.371837957 0.897810695 0.636145739 2.969990237 3.028865291 3.461606226 0.474689851 4.991481715 2.536192673 2.900536346 0.777324897 0.54910814 0.57382974 0.723092986 0.896402694 0.743010815 0.664990952 2.901326935 1.637385584 0.773173676 2.592183959 0.90087015 1.119670111 5.166475503 1.473161378 5.528613056 1 N-palmitoyl-phytosphingosine (t18:0/16:0) 0.207388691 0.106848163 0.082690275 0.194898502 0.201045915 0.325753179 0.267420578 0.370588059 0.756546371 0.382688751 0.810340167 0.72324133 0.963418518 1.191398192 1.156355775 2.73564035 5.595330119 3.943195652 4.433020327 2.716030112 0.552630712 0.390512106 0.891695832 0.804915719 1.124294175 0.964525819 1.537409623 0.928366026 1.478261906 1.810760627 1.035474181 1.044116093 1.356052091 0.964160405 1.698321404 4.052008501 5.88742857 2.139862003 2.285748795 1.488542899 3-hydroxypalmitoylcarnitine 0.676129413 0.791878954 0.841796817 0.907250747 0.807354527 0.926148233 0.862697982 0.89139877 0.800846102 0.981052102 0.713258286 0.687874555 0.95784076 0.508508742 0.585768307 1.877579374 3.402850183 2.759795236 7.195633851 2.458266903 1.161547127 1.018947898 0.841606599 0.879228157 1.129007692 1.528806988 2.019763215 1.444972455 1.695979335 1.778480323 1.053876152 0.785935807 0.972937912 1.058756631 0.865863134 3.444859534 4.903703813 1.635409917 3.824467456 1.354964228 3-hydroxyoleoylcarnitine 0.574611689 0.704701241 0.761104301 0.617713833 0.562910956 0.884341675 0.931792438 0.819450371 0.519870395 0.802880718 0.677348778 0.634897375 0.901492243 0.423307588 0.565829108 1.899891091 4.089706749 3.359274564 7.758705481 3.025063231 1.189456345 1.127121455 0.841334087 0.916250296 1.068207562 1.49124118 1.988262899 1.511235225 1.539746609 1.58276341 1.20690222 0.813388587 0.869005132 1.15494282 0.876453742 3.200454452 6.827155495 2.134136076 5.271854622 1.588879988 isocaproylglycine 0.953321809 1.163353608 0.957461144 0.667232505 0.622259437 0.337375133 1.524782398 0.483521865 0.792295885 0.421793624 0.451127284 0.67094919 1.215020583 0.166024392 0.65968154 4.274827879 2.309525242 0.561158599 0.562428622 2.964837792 1.355903913 2.057621418 0.490531895 0.578258948 0.477163449 0.511299816 1.440329321 0.58323943 1.089123663 0.385827621 1.520525469 1.491572954 1.211178693 1.653289228 1.042538856 1.815985689 3.0232969 1.528914123 2.93626919 1.823051749 8-hydroxyoctanoylglycine 1.275161383 1.202266247 1.616275002 15.09234585 0.28148949 0.582334298 3.1301237 1.181776746 0.859467252 0.837334775 0.214636266 0.235464962 5.546029828 20.74311275 12.04403176 1.140532748 14.10207651 0.41984927 0.562703385 0.312716634 0.575953191 0.56989008 1.189355635 0.663232317 0.342809595 0.336152892 0.409376623 0.531985033 0.21093692 7.740717186 36.53818594 8.27126064 7.868954113 2.066259633 trans-2-hexenoylglycine 1.640274181 1.570319705 1.302299843 0.409175761 0.316348289 0.345330589 2.117847577 0.70088762 0.571197733 0.249389439 0.452767264 1 0.610664719 0.226029469 0.64599243 3.007459548 1.851340284 2.2265312 0.401155455 4.131276239 2.673831079 3.211730158 0.835469376 1.153049856 0.49186533 1.091078794 0.741011282 1.532033262 0.95141333 2.453748589 1.92540452 0.739911902 2.415565443 0.581734068 0.474961448 2.236514155 1.125425179 3.00233157 0.950306572 2-hydroxyarachidate* 0.758356068 0.975736578 0.807241512 0.707114898 0.721536132 1.056140196 0.811842624 0.786646843 1.307372538 0.753415664 0.866865644 1.972564348 0.985272577 1.038808786 0.976848238 0.778829364 1.219085239 1.566027899 0.893101365 0.880448305 1.920608737 1.805109221 1.571106226 1.579571942 1.557755275 1.315242427 0.829320232 1.2425625 0.893749603 0.873320442 1.633193663 1.33197801 1.479930818 2.027173598 1.581820088 0.887810637 0.812217775 1.149125154 1.014727423 0.605269764 3-hydroxyarachidate* 0.628298906 0.772729046 0.757231748 0.574394835 0.579749156 0.800914818 0.843505569 0.913189771 0.776717967 0.923839897 1 0.763190746 1.090243236 0.83182164 1.558419646 2.584128192 1.771441668 1.592554665 1.662843545 1.103204791 1.057522383 0.847201904 0.896093003 0.903193087 1.25206273 1.016638383 0.987818675 1.423869156 1.137232528 1.705697622 0.865508027 1.031979636 1.098981801 0.998039675 1.597509119 1.891002009 1.749224647 1.867370823 0.799607935 18-methylnonadecanoate (i20:0) 1.750962527 0.713710214 1 3.00104961 1.147780478 2.449363813 0.733048414 1.43584499 3.143604338 2.315401278 0.917634448 0.736117273 0.592366067 0.539807133 0.933551611 0.416731322 1.149848941 1.478476074 0.367460397 0.552592383 1.420720609 0.843714989 2.204096478 1.23916268 1.060770498 1.317642753 1.033789753 0.455844482 0.69866811 1.51996835 0.656706008 1.051579298 2.004261494 0.588039213 0.17632372 0.404055263 0.685571438 3-hydroxyoleate* 1.056196147 0.395134362 0.284956538 0.508625349 0.400523972 0.93132047 0.449949574 0.358443851 0.41433323 0.43185379 0.891259571 0.950857391 0.779851081 0.467645968 1.502386041 1.643712378 1.662137336 1.238127016 1.917640582 1.890489951 1.610444385 2.214607023 1.072483946 0.72017226 1.303664755 0.900318529 0.981195933 0.545185965 0.827228918 0.637929231 1.595307251 1.018804067 1.150618628 1.05332253 1.181955683 2.117575621 3.340724018 2.06917398 1.848953072 0.980039718 lyxonate 0.687034106 0.707468 0.766895392 0.802482486 0.707693886 1.391505015 1.299844692 1.591794427 1.543329692 1.476576497 0.758589016 0.828653612 0.966552956 0.609187648 0.882683144 1.455489249 1.591725342 1.536293743 1.581035795 1.441058564 0.639461749 0.82777263 0.824661953 0.718444903 0.600372414 1.381931665 1.254214548 1.544813198 1.494318609 1.125804113 0.991717866 0.839159756 0.587989889 0.752815249 0.764777896 1.54177632 1.320662938 1.008282134 1.633509913 1.088565593 heptadecanedioate (C17-DC) 1.015859661 0.837604852 0.564769702 0.772690743 0.497664373 1.39836255 1.017693003 0.999416093 1.024448742 1.108864082 0.710790346 0.942482043 1.394903059 0.822850218 1.000583907 1.193524285 2.099628309 1.491699734 2.819189814 1.388071977 1.006109046 0.631196946 0.959955297 0.817821086 1.579587121 0.601970214 0.880575368 0.481735647 0.612781908 0.91663946 0.986086694 0.678480838 1.249679793 0.90283289 1.371578181 1.476844643 1.428210859 1.194779999 1.057047064 0.530702195 nonadecanedioate (C19-DC) 0.325832381 0.28270623 0.289068749 0.36479165 0.345397669 0.331598942 0.323125234 0.400891766 1.319058482 0.907482896 2.42917204 2.227998702 1.423879592 1.527250617 3.766365028 3.573358973 2.090151366 2.270825668 0.957092206 0.257299585 1.006913841 0.946772717 3.031461534 0.325788951 0.713962918 0.503459333 0.652738453 1.545457507 0.670771621 0.922184006 2.337698467 1.836630205 2.033101022 2.433635696 1.146517685 1.072075974 0.993086159 1.073839721 dodecenedioate (C12:1-DC)* 1.332940421 0.716181193 0.999758208 1.587373909 0.836049719 4.424919717 2.979039631 4.101938116 3.699512637 4.179175639 0.665737278 0.39468057 2.07256791 0.562212399 0.578397371 1.383641241 2.051584873 1.34577808 2.912516529 1.274691148 0.991363482 0.413563036 0.647126828 2.719596509 0.52027655 1.057357664 0.641051796 0.877071291 1.000241792 0.684468624 1.145710076 0.566632665 0.575042503 0.660939212 3.538018059 1.231372549 0.692251313 0.59621444 hexadecenedioate (C16:1-DC)* 1.245096371 0.868522832 0.461798284 0.387464537 0.486185019 2.554393402 1.292164066 1.253743722 1.141928089 0.854485461 0.881683807 0.6058017 2.397065392 0.651720302 0.868133532 1.408265762 2.041980465 0.897009442 3.608051929 1.326018128 1.821012237 0.943087902 0.71210507 0.504468958 3.043901577 0.867131131 1.015808028 0.559106378 0.932742299 0.981984058 1.139451237 0.984191972 1.431085893 0.835409757 1.053660408 2.561592632 3.436158078 1.411669787 1.273114692 0.835520717 octadecenedioate (C18:1-DC) 1.056284839 0.941283596 1.116417022 0.845974506 0.943715161 3.390848162 3.032055038 2.341598704 2.137029581 2.232112146 0.917017432 0.56023859 1.602502741 0.630013574 0.640279913 1.179993574 1.998518647 1.15577808 4.358226216 1.229898165 1.399325552 0.47408408 0.622784454 0.585623071 2.26938858 0.810522789 0.838231533 0.567363985 0.862573404 0.920194144 0.857777041 0.740822917 1.099886082 0.784920129 0.925944295 2.406155273 2.591700491 1.33766552 1.087554791 0.623487277 heptenedioate (C7:1-DC)* 0.858945606 0.769397817 0.830340763 0.990118786 0.964605118 1.579655109 1.948234269 1.476868923 1.026162631 1.764212988 0.652267932 0.661761603 1.328322785 0.685791598 2.888747478 4.963359934 2.532810493 3.385518712 4.466290589 0.453366355 0.48372317 0.810587507 0.373784627 0.339958265 1.240199046 2.213859842 1.260362777 1.150543478 0.881076867 0.736183728 1 0.501401119 0.536704274 0.435124289 2.645399927 8.993157219 2.279978444 2.037167492 0.647119795 octadecadienedioate (C18:2-DC)* 0.49883398 0.348925679 0.484493103 0.439878183 0.373488275 1.857462822 1.623374017 2.049230661 1.30843431 1.075196583 0.910822894 0.637339892 1.79739081 0.603550209 0.839055524 1.461585787 2.167451338 1.246465318 4.055784398 1.037497217 1.328564272 0.297367373 0.448778609 0.270591389 2.402275497 0.903847281 0.687001219 0.78260169 1.297002625 1.227548252 0.739480916 0.802717003 0.978166419 0.669122731 1.027405869 2.507130887 2.710813812 1.237475537 1.021833581 0.651884382 glucuronide of C14H22O4 (1)* 1.321409128 0.881267232 1.2417154 1.269813673 0.70575839 6.28064907 7.22034315 8.9493353 4.42906064 5.137365436 0.517622886 1 0.664225629 0.933530021 0.45538521 0.98689918 0.538398047 3-carboxy-4-methyl-5-pentyl-2-furanpropionate (3-CMPFP)** 14.26965615 14.74739555 19.74487622 18.22337435 17.22898692 39.65707894 34.81003842 39.20233452 28.92088906 33.79744176 1.13504207 0.754340742 0.934526531 0.36309518 1.039832693 0.540343369 0.821516463 0.960167307 0.672457565 1.179281163 0.81824814 0.857448568 0.846962696 1.182102038 0.854530422 0.56176256 0.553689023 0.606838189 methylnaphthyl sulfate (2)* 0.436584052 0.610668103 1.017349138 1.291828305 1.134177443 0.955818966 1 glucuronide of C14H22O4 (2)* 1.498346223 0.810447979 0.822364901 0.403752614 0.759849701 4.764275986 2.646310618 4.386302836 1.645799893 2.39158033 0.345177295 1.177635099 0.387506688 0.420703828 N-acetyl-2-aminooctanoate* 0.835626342 0.871422901 1.033279977 0.87980372 0.898347983 1.283754509 1.189416763 1.2768926 0.952480352 1.331944725 1.363327589 1.101216824 1.238270333 0.919872567 1.112881298 0.557301486 0.460222755 0.485083616 0.50203725 0.666409587 1.149526504 1.080543325 1.002006825 0.997993175 1.059954549 0.746302459 1.562963974 0.726387602 0.722057004 1.119268396 1.002475541 1.092338438 1.175919074 1.023365824 1.202627168 0.76585242 0.820096533 0.952764385 0.483161208 0.951509396 hydroxyasparagine** 1.207817767 1.616992207 2.373082694 2.244734669 1.551855888 1.51718287 1.689065528 1.541139359 0.933210372 1.320595761 1.135601299 1.20471875 1.178119665 0.902264418 1.177262283 0.783286892 0.749205198 0.714322331 1.089523748 0.737847131 1.035606096 1.066032673 0.992708504 1.007291496 0.852914725 0.921952733 1.203043707 1.261522573 0.861283945 1.422443629 0.760835318 0.665305397 0.860514999 0.928404085 0.788922831 0.494077018 0.324360298 0.823091463 0.681864716 0.711148368 daidzein 7-O-glucuronide 0.150234925 0.024778653 0.262593442 2.212729223 0.583765955 1.760280923 0.226249232 1.416234045 1.876107921 1.457225017 genistein sulfate* 0.360520294 0.067365759 0.281085617 1.390329136 0.66029391 1.738254911 0.392017536 1.33970609 1.762737342 1.375429025 3-hydroxybutyroylglycine** 0.436878649 1.179667206 1.054602421 0.477276402 0.36264054 1.086940355 2.018884699 1.761686306 0.281641083 0.337340459 0.33099188 0.111430605 0.270192406 3.787947301 8.384031047 8.431847124 1.309730336 11.63603267 2.536368175 3.066108611 0.684430742 0.672370212 0.286146583 0.389737246 0.631520316 0.945397579 0.554954247 0.262870084 1.729858913 0.768109873 0.718286583 2.099211692 0.537510034 4.206470816 11.2033432 3.233248324 8.360775783 1.855093142 glyco-beta-muricholate** 0.175827383 0.753230646 3.185585438 0.974442104 12.08430686 1.278533191 1.205507373 0.133037856 1.302686657 0.249391262 0.108227773 2.393605282 4.41148441 2.046369 0.819480543 0.849415885 0.525562456 4.121560742 1.025557896 0.815472445 1.205119787 0.962928511 genistein glucuronide* 0.140613498 0.023448578 0.227057692 2.523631175 0.47004292 2.512090364 0.280388241 1.672708434 2.106541717 1.52995708 N,N,N-trimethyl-alanylproline betaine (TMAP) 1.015319005 1.039299462 0.984680995 0.718941238 1.190195552 1.072543602 0.802099008 1.217808438 0.844810826 2.727160624 1.553687337 0.809505799 2.078377681 0.700908931 1.568777497 0.592615396 0.80093566 0.610959744 1.896372513 1.330535196 0.877772081 1.301603122 0.942671852 0.77813082 2.280582013 0.580435462 1.078350396 0.527232133 1.356751238 0.771633541 1.269692656 1.516425879 1.289759034 1.533843374 0.794979659 0.619756153 0.544074447 1.332452152 0.858490281 0.832182395 3-formylindole 1.207801665 1.081827282 1.194918932 1.431028672 1.221188026 1.932372698 1.97873217 2.215243443 2.769959865 2.635733051 1.14731174 1.003611694 0.863954021 0.965419328 0.996388306 0.938300055 4.32585585 1.715389769 3.61706635 0.973393424 0.50464687 0.900210355 0.761537352 0.656207738 0.939244572 0.607636751 0.983390703 1.212956697 0.856901855 1.110638815 0.762791118 0.851128438 1.02326529 0.748050722 0.857403773 1.555974923 3.448961833 0.687593878 0.845351143 0.706526995 gamma-glutamylcitrulline* 0.899156077 1.255816044 1.165746669 1.381272742 1.085657184 1.849355318 1.685126438 1.5733751 1.315955757 0.276092266 0.348237405 0.787688166 0.370760981 0.767741879 0.51863153 1.387849278 1.515822416 1.507701419 0.737028326 1.001049045 0.51360705 0.517996054 0.64763124 0.69594191 0.14616579 1.174146982 1.560406453 2.251143926 0.998950955 1.315145149 0.309591389 0.465459986 0.291671352 0.322588987 0.409966433 2.082486907 1.94230176 0.542106712 2.161256027 1.162920801 glycine conjugate of C10H14O2 (1)* 0.029015002 0.069402162 0.044401309 0.058046685 2.082155842 1.652553959 0.933076541 1.012099315 1.916015271 0.95628187 0.559287553 0.569575421 0.220632604 0.987900685 2.327507232 1.916931231 1.526701976 1.362508578 1.248940163 1.079622546 1.591213457 0.930049627 1.117806246 1.0556984 1.350488878 1.647686026 0.820865385 1.633097393 0.904282947 0.203145958 0.38015218 1.119764034 0.552745415 0.834052781 dihydroferulic acid sulfate 0.923926436 0.719025236 1.016017889 3.138091544 0.983982111 3.401873317 3.391411491 10.61186282 1.406630767 6.319947063 0.378770593 0.825719892 0.49314334 0.392324191 0.557237713 1.161981472 tetradecadienoate (14:2)* 1.148108915 0.61093189 0.633975834 1.240183992 0.813514653 1.994276575 0.783022738 0.907562681 0.889862452 0.915178933 0.9739422 0.87400083 0.91354534 0.697471047 1.194287862 1.710700716 1.615865721 1.08795082 2.318413538 1.598564164 1.454389175 0.938337941 1.275929488 0.963134214 1.04024088 0.997932253 1.082374784 0.702258267 0.926832673 0.90241664 1.352275068 1.002067747 0.817848058 0.986200605 1.134437566 1.964495726 2.188594001 1.312331938 1.421469119 0.966078601 3-amino-2-piperidone 1.260418554 0.697023753 1.172616723 1.873102354 1.664847192 2.604101133 1.155128385 2.120412814 3.466784088 3.427765929 0.804712251 0.557532343 1.035519141 0.795446437 1.041034962 1.955722622 1.12598941 0.921228764 1.252063228 1.165114486 0.673173257 0.449677278 0.491550699 0.522596184 1.070571221 0.628002273 0.991594028 0.60826304 0.832094403 0.915544126 1.135948499 0.611877979 1.303939631 0.985938652 1.008405972 1.548552392 0.798934201 0.778519698 0.767329368 0.770344443 N,N-dimethylalanine 19.83565821 26.0588513 27.56607134 27.2922439 28.09355919 31.6006061 35.64983625 32.35785216 5.030465335 30.64276811 1.087585844 0.656608058 0.301225314 0.668563992 2.95761008 0.672913904 0.483006787 0.340989073 0.45996323 0.602041993 1.165739618 2.353188539 1.16126343 1 1.682212218 0.429614492 0.699586128 0.793833016 0.649533099 0.394135197 2.189581858 0.362704095 0.522682439 0.337372286 0.628995587 3-indoleglyoxylic acid 1.25862014 1.300664019 1.417048335 1.083502356 1.317681958 1.502610856 1.62065944 2.615255729 2.557805643 3.345122681 1.071302726 1.359466909 0.704388827 1.410627675 0.928588449 0.667197031 1.960779936 1.710212827 1.186154115 1.011571073 0.364636084 0.9343768 0.653719649 0.838652299 0.656702948 0.661695752 0.804727122 1.145213494 0.733632664 0.894751457 0.602613295 1.148883514 1.506444114 0.703520105 0.794240544 0.988428927 0.842964011 0.79296842 0.750457345 0.596181377 ethyl beta-glucopyranoside 35.96634366 34.08037944 30.08171438 24.34251567 24.43919715 5.494809417 1.841832488 7.749250075 3.743878881 9.593281297 0.505504688 0.925494323 0.537621912 0.600223014 0.591145383 1.2500746 0.690528167 0.855872976 0.587234778 0.545380302 0.591349552 0.4264759 1.074505677 0.342657013 2-hydroxysebacate 0.718692426 1.063363927 1.212419925 1 1.225722157 2.48644423 1.554072647 2.825838784 1.261482683 2.012585569 1.88857563 2.877460575 8.125610601 0.757890912 1.490473776 0.494881936 0.301560097 0.257436235 0.399061914 3.77274817 1.249514054 0.608444467 0.607440461 1.959182259 0.847680138 0.31548434 2.400224803 0.647771411 0.677712422 0.507626388 0.474073323 1.976960262 2.291547082 2.66269628 0.233527712 0.317852374 0.863972415 0.532941196 0.430667816 enterolactone sulfate 28.25272759 43.55762089 52.56529854 91.42458004 59.97100194 52.88843349 45.75725914 42.05164617 17.74423214 36.9568589 0.972291174 1 0.877561623 0.674921588 0.453655064 0.50085628 0.740903231 1.2117801 1.38792357 1.137485809 0.494313918 0.486809444 0.335392253 1.350535896 1.065750736 1.003579057 0.954819219 0.589370586 0.727433662 0.930420058 1.205564856 0.539052127 1.561507822 0.96220824 0.86112875 0.611364467 1.016875445 0.678346707 0.555523485 ascorbic acid 3-sulfate* 1.427357538 1.217297065 1.288022467 1.1767268 1.009430724 1.617048019 2.093202678 1.562411432 1.239850608 1.334548764 0.973886658 0.746430391 1.026889931 0.49316088 1.00704099 0.99295901 1.073841945 0.696964727 2.441533679 0.960468251 0.959299747 0.947552397 0.656920022 0.617906519 0.499110236 0.941096369 1.547981956 0.892577615 1.09495206 0.868291982 0.790457205 0.766234843 0.736932313 0.744062174 0.614461226 1.240312932 1.82388465 1.280318758 1.158986101 0.889263695 N6,N6-dimethyllysine 1.294892793 1.433268149 1.976434697 1.908466399 1.468785877 1.932687164 1.848410307 1.698879632 1.58110319 2.013141696 0.894755579 0.901460707 1.074566859 0.690487773 0.86712731 1.111752861 1.117331009 0.843437576 1.119344834 0.988939062 1.141897619 0.946794881 0.93585311 0.951894942 0.991002074 0.960187895 1.739934869 1.331946615 1.086483703 1.430473752 0.631483211 0.706484796 0.808086989 0.807605146 0.763100081 1.008997926 0.576436199 0.68886564 0.8313635 0.851180037 dodecadienoate (12:2)* 1.0860866 0.658692464 0.654140695 1.525735264 0.785298366 2.836167939 0.931657611 1.014561309 1.100094966 1.009795152 1.116288994 0.637834106 0.736142743 0.652814474 1.023436243 1.4355747 0.959250499 0.927293396 1.652304467 1.175027556 1.131092977 0.82995415 1.101621506 0.74574947 1.40287362 0.787548576 1.02213091 0.620579015 0.824244131 0.949732109 1.258872359 0.885675316 0.671163412 0.906954038 1.279534025 1.704728139 1.917198275 0.990204848 1.273936133 0.957199156 N-acetyl-isoputreanine 0.745145107 0.404611136 0.481370838 1.715903316 2.29847135 1.967683143 0.417832231 1.979535918 0.804663081 0.767736437 0.604100237 1.066495617 14.87670393 0.910880447 1 0.692219129 3.325890588 4.620778672 3.276157731 4.059587683 5.111083502 0.892742621 0.709647497 0.459077458 1.241332476 N-acetylhomocitrulline 0.812033505 0.761481428 0.658653792 0.951076782 0.899062561 1.270392841 1.324913432 1.628409508 1.956199915 1.07282892 0.629204788 0.53160054 0.551997324 0.46636057 0.800213577 1.428536347 3.129510058 1.561393114 2.368398108 2.955911541 0.47440799 0.348089188 0.305176753 0.30499314 0.465213836 0.657498046 1.425906067 1.194334364 1.056984155 1.509443101 0.62423598 0.620852098 1.082002798 0.470229955 0.796352077 1.569826908 3.320193571 1.746091752 1.687909045 1.048923218 2-naphthol sulfate 0.866232551 0.788675409 1.004760515 0.995239485 0.840306364 2.335611268 1.785545346 3.195946014 1.621111324 2.091808492 0.691854789 0.933403114 4-ethylcatechol sulfate 0.359150084 0.659518313 0.451190862 0.405069989 0.29969664 0.993186169 0.756458639 1.238420494 0.729584899 1.11442581 3.371100045 1.166008433 1.130002099 2.667946247 1.675052627 0.455693562 1.165174034 1.298286049 2.31144945 0.91128028 0.33841477 0.124348285 0.57607591 0.549667703 2.567121388 0.455296714 0.948538213 0.475742023 1.102708616 1.38121204 0.174363866 0.946823625 1.891566342 0.706913679 2.179209992 3.492199772 4.470776334 1.452883827 1.550213369 1.006813831 N2-acetyl,N6,N6-dimethyllysine 0.819158172 0.799064636 1.098184863 0.716573264 0.408896606 2.083553533 1.563920108 2.55247053 1.808512903 1.369783523 0.964979431 0.690333859 0.867866191 0.518774706 0.690423753 0.964253187 1.168244926 0.596478072 2.61728839 1.286679457 1.149081077 0.941344568 0.815406306 0.718725974 0.899144357 1.931222101 1.396304436 1.291493484 1.364792074 0.819347421 1.006585873 0.741816745 0.890169212 0.841082695 1.280488641 1.181842483 1.111401556 1.359443418 1 4-allylcatechol sulfate 8.559367872 7.228168785 4.620397524 2.715852069 2.118817204 62.41041056 76.30584881 110.2724177 12.52655588 49.36642229 0.526246334 0.452851092 0.541919192 0.428592375 0.714793092 0.485320951 1.054252199 0.363180189 1.078022157 0.718719453 0.334946237 0.499967416 0.727565982 1 0.388807429 4-methylhexanoylglycine 1.36128271 1.62634857 1.828333868 0.766530112 0.740187156 0.374032661 2.029301343 0.491569457 0.75844639 0.552413345 0.630711444 0.823149672 0.695881078 0.312316742 0.751568842 2.876358984 1.732193082 1.113248177 0.355835004 2.626067854 1.502451287 1.704013699 0.7042265 0.685896635 0.506175757 1.012075326 1.244623378 0.94992475 0.723895653 0.48691319 1.48951389 1.140438714 1.031073477 1.616916504 0.961657783 1.179866669 1.682318861 0.987924674 2.346603967 1.050486364 3-hydroxyoctanoylglycine 1.041896031 1.062963468 1.193462536 0.893870464 0.276871692 0.237803861 0.997626738 0.230919127 0.371965182 0.170969625 0.991773198 1.246807849 0.637285231 0.245113204 0.589289235 3.177615516 1.151134313 1.265938007 0.193011389 2.870103726 4.135719485 4.495189027 1.203596288 1.186213851 0.903769164 1.040531216 1.002373262 1.06671671 0.926808001 0.255660191 3.356671671 2.310957949 0.698785315 3.636151676 0.653898063 0.377606418 1.082271811 0.968984578 2.646838937 0.912325797 1-heptadecenoylglycerol (17:1)* 0.910834313 1.1444794 1.013189027 0.737638359 1.28658631 0.232772341 0.986810973 1.042539011 0.787394978 0.95762727 0.857783308 0.955411415 0.903638294 0.676600352 0.932564766 1.55077199 7.387303018 4.155220146 2.363351656 1.887832866 0.626321923 0.734428492 0.741161496 0.415800007 0.482326208 1.202935917 1.159746022 1.092180794 0.508876974 0.671854452 1.124871098 0.84622356 1.099223394 1.410993015 0.359188199 3.08398617 4.368205042 3.017075043 1.893451512 1.949141884 dihydrocaffeate sulfate (2) 1.575457961 0.921727975 1.078272025 1.357190927 0.608434727 5.460370511 4.976316761 3.515902195 2.272618452 3.872318223 0.479274166 0.245857644 0.106261427 0.184326001 0.177656675 0.099573691 3-hydroxyhexanoylcarnitine (1) 1.249460166 1.102414531 0.987602785 0.924661534 0.856285251 1.370109585 1.177953064 1.494935938 0.937576162 2.360550929 1.006062826 0.824780131 1.245891584 0.629011127 0.840866971 0.888029948 1.260835725 0.780302683 2.218843742 1.354044069 1.145963771 0.985277249 0.958394351 0.794615895 1.559822662 0.71815668 1.187871087 0.791174001 0.993937174 0.77599279 1.141076884 0.956349786 1.11596887 1.095400293 0.815376385 1.456319996 1.204777008 1.021826048 0.963576007 0.911189981 2,6-dihydroxybenzoic acid 64.83626894 53.85196327 36.2612112 58.89816784 36.24466352 244.176738 140.3550162 293.9456981 96.57328083 172.7136524 1.000151418 0.350002357 0.509410482 1.33832311 0.91464333 0.634722469 2.280522523 1.415235465 1.885297306 1.048097798 0.643077537 0.315938306 0.742327566 0.649661716 1.061370444 0.295305338 0.599360835 0.340955378 0.562733708 0.891136428 0.215990349 0.748640998 0.999848582 0.326138468 1.197807146 1.799783201 2.705419664 0.914647341 0.915212903 0.520647508 N,N-dimethyl-5-aminovalerate 3.126739652 6.19601757 4.589083615 5.355247529 3.480586495 10.69807378 8.87532776 11.82932364 10.78978508 9.075637032 0.993999462 0.742806078 1 0.558425405 0.851639363 0.565098272 0.731723852 1.093044755 0.670749199 0.812560229 0.438756415 0.563837655 0.791096121 0.777234934 0.920760404 1.385737657 1.371248963 4-acetylcatechol sulfate (1) 1.713748616 1.910804921 1.037530722 1 0.69923553 3.874959096 3.481128463 5.22840095 2.396270948 3.226437558 0.108453028 0.08794185 0.101901427 0.079064813 0.073467057 0.086511081 0.086747802 2,3-dihydroxy-5-methylthio-4-pentenoate (DMTPA)* 0.895875519 1.009919394 1.094507016 1.289282079 1.151277223 1.847794841 1.776664878 1.862525182 1.585439153 1.761070825 0.844178326 0.643171253 0.642633833 0.679267012 0.723215901 1.112649387 1.55203345 1.174138263 1.468870583 1.26443524 0.46316049 0.531841056 0.507271786 0.498299522 0.516415317 0.742687058 1.198521503 1.048204698 1.176404583 0.990080606 0.676977069 0.695469353 0.863909335 0.701538957 0.609160214 1.500739322 1.477296568 0.799108827 1.114460967 0.779326143 5-hydroxy-2-methylpyridine sulfate 0.842920159 0.68699388 0.920465564 0.95252768 0.590554591 2.729740813 1.902663923 4.497625809 1.04747232 3.623479004 3-hydroxy-2-methylpyridine sulfate 0.72090409 0.280443275 4.145128757 6.499944192 3.247436817 11.32839831 1.27909591 21.14624093 2.087542853 16.04418799 0.085003588 0.11926174 0.09527625 0.099888384 0.081208642 0.085701188 hydroxypalmitoyl sphingomyelin (d18:1/16:0(OH))** 1.178355647 1.136494923 1.419306042 1.345639165 1.298954979 1.508196532 1.199585741 1.151730076 1.13447852 1.297393319 0.914123823 1.151331785 0.81854848 1.133908999 1.103984198 0.493222904 0.466720531 0.51542923 1.012949428 0.540533999 0.681262434 0.853949851 1.080828151 1.035060314 0.867101542 0.660379792 0.672187526 0.882608044 0.790238673 1.070474472 0.987050572 0.985992623 1.121830851 1.066938203 1.020797339 0.350263793 0.401451124 0.649912895 0.472910094 0.300577615 glycitein sulfate (2) 0.368126038 0.281748682 0.238494691 3.749557862 0.480687361 3.135104306 0.702088965 1.385586332 2.690050968 1.297911035 tetradecadienedioate (C14:2-DC)* 0.878315531 1.013727692 1.065646864 0.467935686 0.573219968 1.516306075 1.735577696 1.162794002 0.568214029 0.816347085 0.454074618 0.799910751 2.888419651 0.417330323 0.637225194 1.456795725 2.021938381 0.986272308 4.09510288 1.698666371 2.583112184 0.498484881 0.479966893 0.431984164 1.378193998 0.834595829 0.800339546 1.046438316 0.926462798 0.723876811 0.6521408 0.544079317 1.053428682 1.080844179 1.147858453 1.507999407 3.189309527 1.153667137 1.086642892 0.591962326 eicosenedioate (C20:1-DC)* 1.306996084 1.248464923 1.360305565 1.281661268 1.270947155 3.14448581 2.685867621 2.892955567 3.63254847 2.811071895 0.630440458 0.528308272 1.438243968 0.730745056 0.856471498 0.96831214 2.989053812 1.189063482 1.208567423 1.716569163 0.771880288 0.602059663 0.558526326 1.485529179 1.03168786 0.675018131 0.842227917 0.568476527 0.685944979 0.77787555 0.723705459 0.831088333 0.614446647 1.256152396 1.236039259 0.702596335 0.578233332 0.570710245 glu-gly-asn-val** 0.588687933 1.607408084 1.461222951 1.118336266 0.499268789 0.432334392 1.662351758 1 0.704522085 1.18071773 0.350073121 0.449335055 1.317551356 0.866902406 0.750862601 1.27246761 1.60872198 0.477698055 0.919852387 0.598016589 1.038302904 0.627676348 1.340287457 9.631612321 1.469597605 hydroxy-N6,N6,N6-trimethyllysine* 1.167917363 1.235367462 1.930157531 1.948802049 1.505083403 1.815967152 2.06514679 2.094088634 1.232976628 2.902279815 1.212010374 0.934372586 1.012519252 0.909135998 0.790303684 0.747555805 1.139170532 0.678694546 2.110982638 0.986011237 0.911941428 0.915431709 0.807308246 0.739136443 1.441482901 0.864365815 1.612555798 1.229157741 1.137770121 1.542968228 0.80828792 0.711837626 0.987480748 1.012947667 0.692371594 0.891942565 0.697228505 0.952430528 0.66622136 0.730052193 undecenoylcarnitine (C11:1) 2.082676027 2.378451921 2.072284977 1.51198117 0.966037762 6.94905154 3.098856134 5.385288585 3.058342942 2.197246287 0.603582276 0.826110618 0.760502444 0.869627181 0.60785094 1.34987058 0.697139145 1.796420445 0.882161066 1.086264426 0.561463659 0.748403928 1 1.047628766 0.908181209 1.76511124 1.034135706 0.759573882 0.598633347 0.544477437 0.661241552 1.731587773 1.060254487 1.111981851 0.935803376 1.110332207 0.474195842 0.638394846 0.852123958 3-decenoylcarnitine 2.791765917 2.513600034 1.606919227 0.653421781 0.735597015 1.766733863 3.050898268 2.583828085 1.372260641 1.526180843 0.513123267 0.992364095 0.974398374 0.639696733 0.993384958 0.850286988 0.777181597 0.917047018 1.942725801 0.672098285 2.045586872 1.244147693 1.02723355 1.18086005 1.044853525 1.433675428 1.130175417 0.701012528 0.765248972 1.038892854 0.812408081 0.693496725 1.176878141 1.113575941 0.925109829 1.006615042 0.492529508 0.657702124 0.681962982 0.744200283 3-hydroxydecanoylcarnitine 2.230177807 1.613756787 0.983185713 0.487270118 0.531669152 1.427927072 1.603603446 1.813417809 0.791736438 1.522132202 0.717552719 0.84550286 0.965803065 0.497624313 0.982441969 1.289999702 1.19792101 0.83776414 2.857805927 1.37649522 1.80361378 1.355048907 0.931325953 1.016814287 1.325073556 1.155332578 1.167207737 0.940403703 0.978544227 0.952970209 1.29767147 0.899171766 0.974109418 1.249320843 0.826172797 1.57109267 1.485441323 0.961911145 0.939188388 0.763379566 picolinoylglycine 2.880229566 2.292485927 2.052618068 1.390668834 2.224493164 3.887536443 2.774758118 0.618688613 0.919019271 0.956091509 1.137113188 0.493967472 1.287220453 0.672602422 1.506524543 1.717244351 0.335123126 0.871113542 1 0.913432918 0.768022712 0.815430314 0.744256263 1.106678565 0.859934724 1.210835936 1.164797418 0.902519971 0.544855849 4-vinylcatechol sulfate 0.429915139 0.560614674 3.187717088 1.420244744 0.560565567 3.093606396 1.910303314 3.751062893 3.294032876 7.610794956 0.422571683 1 0.336873478 0.66877577 1.396769484 1.52284914 1.853901494 10.42175197 2.003700059 0.387310629 0.637758735 0.344783559 0.470351364 0.477417174 0.626779438 4-vinylguaiacol glucuronide 0.536188237 2.101166011 1.592403472 3.891172295 3.364461098 7.224707334 5.66658133 5.768734145 0.638834454 0.914525101 0.489054391 0.996988386 1.47369842 2.443586939 3.157474341 4.03197803 6.170540182 3.255428585 0.645174203 0.677803896 0.838606372 0.78647334 1.331822096 0.828840738 1.550045384 1.095240533 1.413484767 0.317480857 0.679284102 0.610235762 0.621276794 0.966928108 0.735578467 1.003011614 0.438327088 0.674340773 succinoyltaurine 0.553572254 0.711680804 0.708190804 0.986474869 0.73972534 0.981169065 0.902887611 1.006064063 0.993935937 0.930274319 1.094603606 0.723801901 1.11771996 0.456741073 0.951900267 1.016726892 1.326677058 1.245554393 1.80804096 1.459543116 1.035050648 1.410501335 0.631714107 0.712824721 0.952390374 0.866313415 1.679594899 1.141890847 1.021269416 0.8251746 1.486303131 0.984616883 1.202431049 1.166436343 0.990515234 1.625789644 1.140476769 1.088163929 1.414785749 0.993141522 hexanoyltaurine 0.594625195 0.65408517 0.810800496 0.559094234 0.341341475 0.585643863 0.310339344 0.709983144 0.349877556 0.69990777 1.213039468 1.251292816 0.749330535 2.76074166 1.502324842 1.281162739 0.688356709 2.250421397 1.860725758 3.011150336 0.876188659 0.897942308 0.72113984 1.286836498 2.179143212 2.466393156 1.20363833 0.440250612 2.201316668 1.870432211 1.026937633 1.640835798 0.902114938 0.833381039 1.034137964 0.973062367 2.377126864 1.287599784 phenylalanylhydroxyproline* 2.307881923 2.397343615 3.124528224 3.204954449 2.366101676 2.871511827 2.847029474 2.244584021 0.825331343 2.185182149 1.642374691 2.098333227 1.705365032 1.692369239 1.11636581 1.001738588 0.43983524 0.588401018 0.597826013 0.461310784 1.241124893 1 0.682548324 0.842987558 0.826951493 1.331388201 0.644777657 1.626812 0.838284649 1.408652331 0.705709065 0.648222497 0.223147205 0.830192922 0.20191568 0.346236883 0.569234066 0.605865478 0.654970804 leucylhydroxyproline* 2.674890779 2.901532503 3.506759731 4.299674429 2.830862793 3.616090389 3.323264116 2.466730015 1.149120983 2.343702472 1.560071676 2.155674105 1.507724771 1.29977723 1.171360449 0.907858887 0.610961965 0.608042549 0.384163954 0.554052115 1.277714755 1.052045978 0.947954022 0.820694656 0.860867575 1.081056246 0.759590796 1.196363045 0.914965843 1.239189534 0.728674316 0.669916341 0.641335251 0.76394138 0.552506499 0.308129305 0.241721468 0.494546637 0.398627465 0.414528038 isoleucylhydroxyproline* 2.311528612 2.80368304 3.199458582 3.702276427 2.540230763 2.938163871 2.309858358 2.111377233 1.544562864 2.654290581 1.374805946 2.148996576 1.540418336 1.378501806 1.309086385 1.019649982 0.722443886 0.630048345 0.628195231 0.632187061 1.174696984 0.980350018 0.901569114 0.840659543 1.074967222 0.898081565 0.832803132 1.194529827 0.88334997 1.366652622 0.731728307 0.690340526 0.728571604 0.817434352 0.651850239 0.477906377 0.313704088 0.558954188 0.470871897 0.486204859 3,5-dichloro-2,6-dihydroxybenzoic acid 0.946940069 1.067665598 1.053059931 1.146123133 1.266117612 1.09086494 1.424177824 1.488740293 1.303789703 1.537684871 0.099366594 0.176709661 0.404976254 0.213435987 0.223195252 0.319913705 0.106421484 0.164097766 vanillic acid glycine 3.464733665 1.113149417 5.210487629 18.58459229 9.269431672 9.352162898 1.038847706 8.974242282 15.39434175 17.41506365 0.882033718 0.700760064 0.513089988 0.649275906 1.772278002 0.496293516 0.32790654 0.974336117 0.549701292 1.992196053 0.734540677 0.829126396 0.828500829 0.464874417 1 0.809874574 0.771668074 1.162584843 1.523020863 1.295455256 1.786024835 0.687576241 0.763566983 2-hydroxy-4-(methylthio)butanoic acid 0.501136088 0.529779295 0.677763734 2.252044977 1.351102765 3.221627241 0.61174985 1.588857004 3.914716633 2.817527493 0.888175656 1.040771511 0.996502381 0.940148006 0.626837736 1.461758442 1.878590451 1.362483839 2.756877208 1.358686337 0.729630915 0.938094169 0.529527804 0.540108682 0.814591155 0.974231783 1.003497619 1.695587148 0.972733511 1.311172222 0.868248489 0.732059701 0.673138601 0.934607601 1.475295472 2.373548263 1.902433244 0.923009331 2.513603142 1.057439975 branched chain 14:0 dicarboxylic acid** 0.556907209 1.21538802 1.560495707 1.251496473 1.258458681 1.879700684 1.28200522 1.99857675 1 1.427096419 1.238604781 3.557085115 8.936608977 0.808197571 2.966753233 0.219026419 0.058303339 0.20437953 0.322257587 4.325119273 1.49670765 0.552101571 0.61825014 1.811109158 0.401701391 0.764369724 0.229794084 0.214233799 0.287555026 0.308131399 3.227095117 3.284914638 5.594536543 0.038631684 0.885131162 0.211947053 0.35989343 pentose acid* 2.303417017 1.299751165 1.283688769 1.604360374 1.932069873 7.619608012 3.73689718 8.86343686 7.272112633 5.962852177 0.342613603 1.429470779 0.195689121 0.35673685 0.39967274 0.184006762 0.460616957 0.336920459 0.599563352 0.52646442 0.716311231 0.503990173 1-methyl-5-imidazolelactate 0.482262428 0.53630018 0.490364901 0.312864488 0.405999426 0.683855663 0.627892342 0.473666963 1.064184692 0.879770788 1.099100144 0.581127676 0.993802797 1.223415392 0.914715239 0.512856948 3.365223166 0.750583616 0.682701482 1.360415041 0.814324615 0.698430835 0.508570815 1.220422639 1.681840195 1.166158691 1.201990529 1.006197203 1.379258946 1.321538252 1.102104497 1.204977482 0.777767789 2.302697248 1.363593392 1.942290906 2.14710309 1.354528134 (2 or 3)-decenoate (10:1n7 or n8) 0.977641704 0.499055594 0.522250063 1.393220771 0.930299739 1.874485892 0.615379458 0.657006136 0.767717199 1.0777258 1.255004109 0.642179146 1.71205373 0.598999849 0.982396302 1.3544503 0.843641348 0.889691219 1.682844177 2.095899399 1.086613374 0.820821385 1.035647033 0.673592633 1.294228585 0.704415148 0.959532279 0.653002465 1.019682158 1.538147891 1.267880028 1.480959578 0.639535574 0.931451991 1.219078351 2.603356953 1.677880775 0.900089268 1.279799089 1.017603698 branched-chain, straight-chain, or cyclopropyl 10:1 fatty acid (1)* 0.446881224 1.170607615 0.358735165 0.416351642 0.526074821 0.226531625 0.327035811 0.378114889 0.323085238 0.590215371 0.824578549 1 1.265613871 2.181126683 1.242458299 1.417518454 1.099088614 1.397239929 0.515539465 0.882619994 1.58273327 0.585725814 1.571978766 0.745993529 0.307490246 1.192061835 0.251241958 0.504211921 1.309447764 1.491119354 1.841301853 1.29021167 1.031909617 2.761018442 0.651127942 1.57241558 0.530705047 1.083769037 1.406484093 branched-chain, straight-chain, or cyclopropyl 10:1 fatty acid (2)* 0.25165869 3.171735922 2.832953139 0.978500395 1.380902327 0.865754201 0.886955614 0.364315427 1.411541501 0.971403438 1.116317037 2.802045593 1.120215891 0.887097255 1.725201652 0.816515334 1.154000984 0.854311103 1.09961086 1 1.098962294 0.595913286 0.256370115 citronellic acid 0.626963229 1.099898959 0.815831193 0.918640444 0.904526273 0.605276613 0.561053175 0.779159441 0.447782397 0.514079648 1.737821925 6.411285741 15.93159167 1.695085899 2.548782926 1.202414879 0.722065554 0.898651536 0.352589817 1.81438936 6.060483887 1.505135769 1.468747419 1.634799671 2.705147141 0.891806552 0.739963239 2.664182833 1.030784831 1.334781936 0.831319054 0.962615679 6.556758813 5.140518491 8.444490776 0.488569805 0.344202364 1.539035772 0.867104497 0.969215169 glycine conjugate of C6H10O2 (2)* 1.238439952 1.419829472 1.244259542 0.833830837 0.779765428 0.305233231 1.827345543 0.621830275 0.577079048 0.510724369 0.917755001 1.11979129 1.707740196 0.493782265 0.74127097 2.000732417 1.543148001 1.104521254 0.279814398 1.833622184 2.49072769 1.863242477 0.547697217 0.762794936 0.602759053 0.682407948 1.05464311 1.016350209 0.854048944 0.387547781 1.088612482 1.211269565 0.983649791 2.268311481 0.683444118 0.445425731 1.245312746 1.115814097 1.536394438 0.959454492 glycine conjugate of C6H10O2 (3)* 2.010460959 2.062674311 2.018690734 0.650490586 0.446675628 0.990526614 4.806399108 1.983238691 1.702886822 1.132371364 0.761793725 0.534130707 0.327993124 0.291763824 1.161696797 1.200632778 1.094907598 1.722619995 1.29855796 1.854707889 0.503040445 0.727091506 0.318958659 1.060863761 0.653169835 1.12139833 0.561682166 0.330452912 1.17591602 0.858950795 0.874523359 1.505024735 0.524949936 0.326868388 1.009473386 0.726506277 1.362137547 0.486407154 3-bromo-5-chloro-2,6-dihydroxybenzoic acid* 1.061734777 1.210821056 1.066980653 1.020667605 1.132228636 0.840278376 0.829901496 1.037400802 1.204598757 1.671366895 0.526693662 0.979332395 0.736681887 0.544767047 0.743880608 0.515665834 branched-chain, straight-chain, or cyclopropyl 12:1 fatty acid* 0.738040693 0.319026735 0.316506261 0.503045526 0.382453331 0.807133458 0.368521189 0.310072643 0.383221745 0.389553547 0.799159848 1.072787139 1.404581499 0.810325889 1.004877594 1.126330884 0.995162817 0.880021386 1.733717251 1.080343185 2.118821951 1.26258169 1.683372859 1.324300958 1.504322103 0.76151332 1.190128641 0.741026679 0.720483728 0.901339341 1.287332018 0.985375213 1.188924048 1.651516104 1.296106811 1.327684733 1.67080958 1.004837183 1.04416312 0.88001673 decadienedioic acid (C10:2-DC)** 0.774145197 0.849954686 0.851227478 0.195127288 0.23866842 0.634758142 1.027284779 0.624980625 0.421709661 0.342931541 0.631027296 0.531177004 0.889378393 0.202392045 0.510188712 2.195900445 4.290054176 3.26199624 3.728403121 3.171511358 1.071653772 1.578662329 1.026037516 0.906544663 0.501337525 1.634260331 1.711087325 2.495064743 1.2499029 0.973962484 3.483921437 1.546641965 0.828718401 1.162532526 0.620042633 1.632145091 4.218941979 1.204957686 3.703173408 0.968360743 cis-3,4-methyleneheptanoylcarnitine 0.841412386 1.198974123 0.803598382 0.337009478 0.412052313 1.387720303 1.335098982 1.082891885 0.972202965 1.125378594 0.868880804 1.003494978 1.291475787 0.86616678 1.213860447 0.511674164 0.561883598 0.522637048 1.229706141 0.549141753 1.632102226 0.996505022 1.043587165 1.03480696 1.468318812 0.79252784 1.022398507 0.545592512 1.029859901 0.879851501 1.012423646 0.846880371 1.378675294 1.088814811 1.050399138 1.057540162 0.48947057 0.608722642 0.368276313 0.88049224 N-acetyl-2-aminoadipate 0.799203178 0.694842469 0.517816204 0.784748263 0.763670938 0.943834729 0.810643354 0.868330536 1.246236019 1.317032307 1.255231768 1.248013196 0.853707596 0.921905974 1.055582034 1.319315173 5.151019696 1.690523928 2.149195666 3.013411228 0.643394797 0.805613942 0.877455534 0.751796161 0.944417966 0.546060401 1.68338129 1.191083739 0.880605985 1.061558197 0.93441892 0.864982979 2.4292853 0.923846329 1.698482452 3.080283185 8.287936681 2.527438813 1.467391217 1.178349454 2-methoxyhydroquinone sulfate (1) 1.118668771 0.551318319 0.480200832 1.018011763 1 1.852503228 0.724475685 2.765663463 1.406179888 2.688830871 0.313229092 0.197383446 0.242174724 2-methoxyhydroquinone sulfate (2) 1.100871784 0.366135045 0.375804303 0.777726879 0.844185407 1.84305075 0.899128216 3.505359672 1.431980436 2.136328078 2,4-di-tert-butylphenol 0.430652373 0.526792049 0.528456972 0.373024484 0.61955822 0.575217583 0.57450412 0.569582749 1.032951358 0.787875921 0.998496713 0.940349347 0.648931653 1.001503287 1.341159153 1.133863187 2.384151092 2.182619625 1.181926109 1.57581307 0.81073564 0.864004011 0.968341526 0.897500688 0.726488333 1.43862799 1.036075485 1.156557316 1.188500816 0.91847891 1.345874426 1.014783359 1.161474193 1.238405516 0.804017581 1.724321955 1.45083543 1.988662245 1.676466415 0.850735174 3-hydroxyoctanoylcarnitine (1) 1.828492906 1.394932874 1.149727137 0.664639345 0.580676403 1.690866837 1.507531736 1.705906735 0.905295396 1.443950056 0.763557714 0.717035396 0.967824126 0.646625256 0.880193539 1.105291074 1.196068725 0.878777164 2.552276219 1.264168661 1.445148376 1.009472621 0.870438035 0.990527379 1.195497067 1.17638681 1.145800183 0.918938564 0.895262904 0.929526998 1.168638984 0.873186313 0.90782169 1.158500411 0.707016655 1.273395725 1.047484903 0.874771632 0.968480255 0.697559749 3-hydroxyoctanoylcarnitine (2) 1.202935605 0.967456508 1.005543679 0.705820075 0.689862568 1.403377567 1.095094035 1.330095578 0.710469467 1.568151664 0.864196752 0.668850199 1.192195148 0.458600362 0.949453629 0.752971759 1.193190803 0.873450484 1.685066756 1.085610537 0.976426411 1.157815777 0.994456321 1.006809647 1.047005264 0.950868269 0.726016998 1.111191204 0.788873897 1.186054527 1.239855923 1.028277044 0.878388211 1.351243104 0.890412656 1.130996173 0.773475038 0.824965253 1.067400418 0.607187185 cis-3,4-methyleneheptanoylglycine 0.025372935 1.1226601 1.131124559 0.920625264 0.74453808 1.222670561 0.996542076 1.34507817 1.090665891 0.604719416 1.252791528 0.922903694 1.076354464 1.006158374 0.996344893 0.593467939 1 1.620381069 1.429400526 0.804436146 1.069774069 1.325017163 1.262895975 1.119256282 1.213791296 0.969863402 0.813741038 0.697494208 0.901369823 0.801871559 0.990319978 bilirubin degradation product, C16H18N2O5 (2)** 1.646520773 1.117911894 0.613780133 0.681085086 0.866700861 1.118766741 1.132273323 0.676582892 1.140821793 1.732860318 1.93637089 1.467002906 0.774519861 0.581039494 0.904029179 1.089502479 1.398472673 0.607283296 1.153786972 1.016242093 0.983757907 0.807573944 0.937795635 0.935857981 bilirubin degradation product, C17H18N2O4 (1)** 1.479940994 1.106988009 0.722542834 0.98397273 0.988168924 1.560545804 1.080375564 1.158957031 0.516789762 0.692760817 1.964217724 1 3.098874702 1.240179808 1.127789572 0.329605598 0.446501012 0.339433265 0.675218531 0.423227581 2.565957998 1.523029234 1.359487287 1.532159196 3.249648656 1.365876267 0.523697037 0.580211105 0.317236293 0.862831285 1.181482921 0.963549921 1.72087831 0.600992734 0.387335666 1.311435378 0.294281813 bilirubin degradation product, C17H18N2O4 (2)** 1.666633538 1.00293794 0.89137865 1.769696558 0.872143872 1.781382868 1.1184969 0.99706206 0.906676783 0.600435358 2.10441806 1.198965419 3.098915483 1.288502281 1.38126312 0.43824509 0.449478104 0.534159609 0.667208036 0.437103366 2.111404151 1.502993693 1.357963222 1.436970044 2.617197613 1.056746838 0.379920201 0.683361856 0.492148526 0.354947713 0.874950913 1.246435445 1.017409474 1.318184683 0.798528121 0.43744758 0.108296528 1.233723766 0.335586885 0.336539534 bilirubin degradation product, C17H18N2O4 (3)** 1.248655965 1.057226215 0.733695812 1.587190725 0.908224611 1.751464019 1.239507685 1.068336343 1.400728747 0.739332971 1.595758027 0.942773785 2.799019917 1.227479782 1.142610859 0.39016381 0.504588875 0.520540477 0.50628339 0.390868981 2.265142234 1.231409795 1.239608725 1.36381146 2.68781759 1.419543133 0.401120275 0.576488964 0.431030055 0.327089938 0.916640354 1.128555852 0.784377618 1.538601277 0.593101532 0.419151605 0.160391696 1.350000631 0.365114448 0.296702325 bilirubin degradation product, C17H20N2O5 (1)** 1.893610806 1.527240606 1.175505568 0.931799561 1.046038788 1.419724824 1.733392146 1.607682209 1.430553099 1.258966147 1.821531321 0.771996387 3.309120238 1.852465923 0.924621057 0.236227235 0.203628356 0.460996564 0.203911167 0.231776749 1.504239833 0.910039431 1.453150022 1.575425496 2.811042885 1.338622165 0.239360266 0.386469545 0.304085509 0.240339047 1.071657015 1.040006657 0.944327027 1.384009208 0.49122123 0.241078079 0.045092594 0.959993343 0.236233055 0.151699425 bilirubin degradation product, C17H20N2O5 (2)** 1.872791161 1.50786101 1.050700205 0.770201664 1.006346072 1.243146455 1.654159348 1.450583967 1.371919377 1.074851604 1.741793909 0.768158955 2.930331021 1.759634492 0.993653928 0.179722055 0.142824024 0.366160904 0.189807396 0.165805567 1.61312996 0.927124866 1.424793699 1.534690795 2.78575061 1.390033461 0.199452571 0.361837241 0.285714286 0.241356948 1.049541032 1.07493921 0.855228352 1.292827442 0.452361722 0.211473785 0.033054063 0.921040542 0.166298082 0.166991449 N,N-dimethyl-pro-pro 1.021749796 1.164085243 1.369515533 1.753198759 0.978250204 1.580003019 1.535722217 1.652397815 1.678972523 2.356342813 1.177338386 0.853466651 1.187553814 0.758065637 0.87500373 1.104205451 0.795726574 0.687527509 1.948475276 1.102422375 1.246106483 0.964210806 0.807880877 0.858931928 1.690475325 0.847064734 1.305975199 0.812724311 0.97439719 1.099920359 0.862217001 0.937084032 1.058434712 1.228919965 0.716901064 0.572142607 0.609340208 0.904613815 0.767126969 0.698797842 oxindolylalanine 1.019140628 0.824890475 0.980859372 1.098942524 1.499696581 1.414711351 0.959200911 1.647898069 1.359407909 3.318860539 2.270783585 1.030908714 1.041212049 1.522782954 1.262481719 0.734440141 0.86745127 1.178794827 0.636889663 0.79286373 0.426683655 0.712349656 1.151053437 1.026839533 1.706585656 0.731522597 0.794027969 0.63091369 0.953127353 0.844402057 1.456268503 1.295712771 1.452762862 1.247620953 0.855153251 0.904298151 0.495204745 0.959464263 0.734294086 0.75246597 perfluorohexanesulfonate (PFHxS) 1.143887983 1.362558342 0.856112017 0.706847578 1.280472494 1.851769976 1.671448056 2.060479919 1.63797972 1.56192518 0.501607932 0.482070832 0.608778347 0.510867616 0.225143796 0.157714944 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name PubChem ID KEGG ID mevalonate 449 C02104 S-1-pyrroline-5-carboxylate 11966181 C04322 putrescine 1045 C00134 spermidine 1102 C00315 1-methylnicotinamide 457 C02918 12,13-DiHOME 10236635 C14829 5-hydroxyindoleacetate 1826 C05635 2-oxoadipate 71 C00322 alpha-ketoglutarate 51 C00026 kynurenate 3845 C01717 3-hydroxyisobutyrate 11966314 C01188,C06001 3-hydroxy-3-methylglutarate 1662,5459993 C03761 3-phosphoglycerate 724 C00597 cholate 221493 C00695 4-hydroxyphenylacetate 127 C00642 5,6-dihydrothymine 93556 C00906 hypoxanthine 790,135398638 C00262 9,10-DiHOME 9966640 C14828 linoleate (18:2n6) 5280450 C01595 laurate (12:0) 3893 C02679 quinolinate 1066 C03722 N6,N6,N6-trimethyllysine 440120 C03793 N-acetylputrescine 122356 C02714 N-formylmethionine 439750 C03145 S-adenosylhomocysteine (SAH) 439155 C00021 glycolate (hydroxyacetate) 757 C00160 adenosine 5'-monophosphate (AMP) 6083 C00020 5-methylthioadenosine (MTA) 439176 C00170 N6-methyladenosine 102175 adenosine 5'-diphosphoribose (ADP-ribose) 192 C00301 allantoic acid 203 C00499 ribose 1-phosphate 439236 C00620 arachidonate (20:4n6) 444899 C00219 arginine 6322 C00062 argininosuccinate 60150382 C03406 ascorbate (Vitamin C) 54670067 D00018,C00072 aspartate 5960 C00049 2-hydroxyphenylacetate 11970 C05852 3-(4-hydroxyphenyl)lactate 9378 C03672 phenylpyruvate 997 C00166 beta-alanine 239 C00099 carnosine 439224 C00386 biliverdin 5280353 C00500 biotin 171548 C00120 succinate 1110 C00042 3-hydroxybutyrate (BHBA) 94318,441,92135 C03197,C01089 cholesterol 5997,6432564,11025495 C00187 choline phosphate 1014 C00588 corticosterone 5753 C02140 creatinine 588 C00791 cystine 67678 C00491 cytidine 5'-monophosphate (5'-CMP) 6131 C00055 sphingosine 5280335 C00319 deoxycholate 222528,440355 C04483 dihydroxyacetone phosphate (DHAP) 668 C00111 cystathionine 439258 C02291 sphinganine 3126 C00836 flavin adenine dinucleotide (FAD) 643975 C00016 fumarate 444972 C00122 gamma-glutamylglutamate 92865 C05282 gluconate 10690,3085666 C00257 glutarate (C5-DC) 743,4418048 C00489 glycine 750 C00037 glycocholate 10140 C01921 guanidinoacetate 763 C00581 guanosine 5'-monophosphate (5'-GMP) 6804 C00144 histamine 774 C00388 histidine 6274 C00135 hypotaurine 107812 C00519 inosine 6021 C00294 inosine 5'-monophosphate (IMP) 8582 C00130 myo-inositol 892 C00137 isoleucine 6306 C06418,C00407,C16424 2-aminoadipate 92136 C00956 citrulline 9750 C00327 leucine 6106 C00123 lysine 5962 C00739,C00047 malate 525 C00149,C00711,C00497 methionine 6137 C00073 methylmalonate (MMA) 487 C02170 palmitate (16:0) 985 C00249 nicotinamide 936 C00153 pelargonate (9:0) 8158 C01601 stearate (18:0) 5281 C01530 ornithine 6262 C00077 orotate 967 C00295 glutathione, oxidized (GSSG) 65359 D00031,C00127 palmitoleate (16:1n7) 445638 C08362 phenylalanine 6140 C00079 phosphate 1061 C00009 phosphoenolpyruvate (PEP) 1005 C00074 proline 8988,145742,614 C00148,C000763 lactate 612 C00186 pyridoxal 1050 C00250 retinol (Vitamin A) 445354 C00473 riboflavin (Vitamin B2) 493570 C00255 salicylate 338 C00805 serine 5951 C00065 serotonin 5202 C00780 spermine 1103 C00750 taurine 1123 C00245 myristate (14:0) 11005 C06424 thiamin monophosphate 1131,3382778 C01081 urea 1176 C00086 uridine 6029 C00299 2'-deoxyuridine 13712 C00526 trans-urocanate 736715 C00785 glutamate 33032 C00025,C00217 glutamine 5961 C00064 threonine 6288 C00188 tryptophan 6305 C00078 valine 6287 C00183 glucose 5793 C00031 adenosine 60961 C00212 betaine 247 C00719 cysteine 5862 C00097 mannose 82308,439680,185698,18950 C00159,C02209,C00936 dimethylglycine 673 C03626 alanine 5950 C00041 tyrosine 6057 C00082 malonate 867 C00383 pseudouridine 15047 C02067 pyruvate 1060 C00022 uracil 1174 C00106 xylose 135191 C00181 cytidine 6175 C00475 arabinose 66308 C00216 uridine 5'-monophosphate (UMP) 6030 C00105 thymidine 5789 C00214 thiamin (Vitamin B1) 1130 DG00125,C00378,D08580 fructose 2723872 C00095 adenine 190 C00147 cytosine 597 C00380 thymine 1135 C00178 caprate (10:0) 2969 C01571 undecanoate (11:0) 8180 C17715 margarate (17:0) 10465 nonadecanoate (19:0) 12591 C16535 arachidate (20:0) 10467 C06425 maltose 10991489 C00208 ribose 5779 C00121 asparagine 6267 C00152 N-stearoyl-sphinganine (d18:0/18:0)* 5283573 dihydroorotate 648 C00337 heptanoate (7:0) 8094 C17714 caproate (6:0) 8892 C01585 caprylate (8:0) 379 C06423 sucrose 5988 C00089 pentadecanoate (15:0) 13849 C16537 trans-4-hydroxyproline 5810 C01157 allantoin 439714,204,439713 C02348,C01551,C02350 xanthine 1188 C00385 5-oxoproline 439685,7405 C02237,C01879 picolinate 1018 C10164 sarcosine 1088 C00213 pantothenate 6613 C00864 pipecolate phosphoethanolamine 1015 C00346 glycerate 439194,752 C00258 3-ureidopropionate 111 C02642 N-acetylleucine 70912 C02710 N-acetylmethionine 448580 C02712 N-acetylvaline 66789 erucate (22:1n9) 8216,5281116 C08316 bilirubin (Z,Z) 5280352 C00486 thyroxine 5819 C01829 guanosine 6802 C00387 gamma-glutamyltyrosine 94340 methyl indole-3-acetate 74706 alpha-tocopherol 86472 C02477 N-acetylalanine 88064 C02847 4-acetamidobutanoate 18189 C02946 3-aminoisobutyrate 64956 C05145 chenodeoxycholate 10133 C02528 citrate 311 C00158 2-aminobutyrate 80283 C02356 urate 1175 C00366 ursodeoxycholate 31401 C07880 valerate (5:0) 7991 C00803 oleoyl ethanolamide 5283454 gamma-glutamylglutamine 150914 C05283 4-hydroxyphenylpyruvate 979 C01179 butyrate/isobutyrate (4:0) 264 C00246 tigloylglycine 6441567 N-acetylneuraminate 439197 C00270 isocitrate 5318532 C00451 acetylphosphate 186 C00227 N-acetyl-glucosamine 1-phosphate 440364 C04256 N-acetylglucosamine 6-phosphate 439219 C00357 N-acetylglucosaminylasparagine 123826 C04540 acetoacetate 96 C00164 creatine 586 C00300 cys-gly, oxidized 333293 dihomo-linoleate (20:2n6) 6439848 C16525 gamma-glutamylhistidine 7017195 2-hydroxystearate 439887,439885,69417 C03042,C03045 N1-methyladenosine 27476 C02494 glycerol 753 C00116 choline 305 C00114 anthranilate 227 C00108 cinnamate 444539 C00423 12-HHTrE 5283141 C20388 gamma-glutamylleucine 151023 p-hydroxybenzaldehyde 126 C00633 thromboxane B2 5283137 C05963 3-methoxytyrosine 9307 beta-hydroxyisovalerate 69362 arachidonoyl ethanolamide 5281969 C11695 palmitoyl ethanolamide 4671 C16512 N-palmitoyl-sphingosine (d18:1/16:0) 5283564 1-palmitoyl-2-oleoyl-GPE (16:0/18:1) 5283496 1-palmitoyl-2-linoleoyl-GPI (16:0/18:2) 46891795 1-palmitoyl-2-linoleoyl-GPC (16:0/18:2) 5287971 stearoyl sphingomyelin (d18:1/18:0) 6453725 C00550 1-palmitoyl-2-oleoyl-GPC (16:0/18:1) 6436017 C13875 N-stearoyl-sphingosine (d18:1/18:0)* 5283565 biopterin 445040 C06313 taurochenodeoxycholate 387316 C05465 taurocholate 6675,46783527 C05122 taurodeoxycholate 2733768 C05463 2-hydroxyhippurate (salicylurate) 10253 C07588 azelate (C9-DC) 2266 C08261 eicosapentaenoate (EPA; 20:5n3) 446284 C06428 methylsuccinate 10349 tricarballylate 14925 C19806 ethylmalonate 11756 carnitine 288 C00487,C00308 benzoate 243 C00180 3-phenylpropionate (hydrocinnamate) 107 C05629 phenylacetate 999 C07086 hippurate 464 C01586 xanthurenate 5699 C02470 suberate (C8-DC) 10457 C08278 3-methyl-2-oxovalerate 439286,440877 C03465,C06008,C00671 methionine sulfoxide 158980 C02989 3-methylhistidine 64969 C01152 anserine 112072 C01262 5-hydroxylysine 3032849 C16741 2-ketogulonate 102424 C15673 4-guanidinobutanoate 500 C01035 pimelate (C7-DC) 385 C02656 creatine phosphate 9548602,587 C02305 2'-deoxycytidine 13711 C00881 flavin mononucleotide (FMN) 643976 C00061 glucuronate 441478,23677976,94715,65041,444791 C16245 glycerol 3-phosphate 754 C0093 imidazole lactate 793 C05568 kynurenine 161166 C00328 glycerophosphorylcholine (GPC) 71920 C00670 allo-threonine 99289 C05519 N-acetylglutamate 70914 C00624 N-alpha-acetylornithine 439232 C00437 tartarate 444305,875 C00552,C02107,C00898 xanthosine 64959 C01762 ribitol 6912 C00379,C01904,C00474,C00532 2-isopropylmalate 77 C02504 quinate 6508 C00296 gentisate 3469 C00628 5-aminovalerate 138 C00431 itaconate 811 C00490 cis-4-hydroxyproline 440014 C03440 indolelactate 92904 C02043 3-indoxyl sulfate 10258 glycylvaline 2724807 gamma-glutamylphenylalanine 111299 4-methyl-2-oxopentanoate 70 C00233 1,5-anhydroglucitol (1,5-AG) 64960 C07326 2-arachidonoylglycerol (20:4) 5282280 C13856 1-stearoyl-2-arachidonoyl-GPI (18:0/20:4) sphingosine 1-phosphate 5283560 C06124 1-stearoyl-GPI (18:0) 71581135,42607495 1,2-dipalmitoyl-GPC (16:0/16:0) 452110 D03585 docosahexaenoate (DHA; 22:6n3) 445580 C06429 1-myristoyl-2-palmitoyl-GPC (14:0/16:0) 129657 alpha-hydroxyisocaproate 83697,92779,439960 C03264 maleate 444266 C01384 isovalerate (i5:0) 10430 C08262 4-acetylphenol sulfate 4684006 1-methylguanidine 10111 C02294 2-hydroxyoctanoate 94180,6995013,5312860 5-methylcytidine 92918 mevalonolactone 10428 3-hydroxyoctanoate 26613 C20793 phenyllactate (PLA) 3848 C05607 palmitoylcarnitine (C16) 461 C02990 hexanoylcarnitine (C6) 6426853 N-acetylaspartate (NAA) 65065 C01042 indoleacrylate 5375048 acetylcarnitine (C2) 7045767 C02571 cysteine s-sulfate 115015 C05824 1-palmitoylglycerol (16:0) 14900 tartronate (hydroxymalonate) 45 C02287 oxalate (ethanedioate) 971 C00209 HEPES 23831 erythritol 222285 C00503 4-hydroxybenzoate 135 C00156 adipate (C6-DC) 196 C06104 3-hydroxymyristate 16064 1-oleoylglycerol (18:1) 5283468 3-methyl-2-oxobutyrate 49 C00141 2-oleoylglycerol (18:1) 5319879 homoarginine 9085 C01924 homocitrulline 65072 C02427 3-hydroxypalmitate 15569776 2-linoleoylglycerol (18:2) 5365676 3-hydroxydecanoate 26612 N-acetylglycine 10972 ribonate 5460677 C01685 threonate 151152,5460407 C01620 galactonate 12310779,128869 C00880,C15930 beta-sitosterol 222284 C01753 indoleacetate 802 C00954 1-linoleoylglycerol (18:2) 5283469 2-palmitoylglycerol (16:0) 123409 1-methylhistidine 92105 C01152 butyrylcarnitine (C4) 439829 C02862 isobutyrylcarnitine (C4) 168379 3-dehydrocholate 159655 7-ketodeoxycholate 188292 beta-muricholate 5283853 C17726 indolepropionate 3744 N-(2-furoyl)glycine 21863 trigonelline (N'-methylnicotinate) 5570 C01004 dodecanedioate (C12-DC) 12736 C02678 N-acetyltyrosine 68310 3-hydroxylaurate 94216 pyridoxate 6723 C00847 gamma-glutamylvaline 7015683 3-hydroxysuberate 22328017 3-hydroxysebacate 3017884 5-hydroxyhexanoate 170748 3-methylcrotonylglycine 169485 C20828 propionylglycine 98681 butyrylglycine 88412 2-hydroxyadipate 193530 C02360 2-methylbutyrylglycine 193872 propionylcarnitine (C3) 107738 C03017 pro-hydroxy-pro 11902893 3-hydroxy-2-ethylpropionate 188979 3-carboxy-4-methyl-5-propyl-2-furanpropanoate (CMPF) 123979 docosapentaenoate (n3 DPA; 22:5n3) 6441454 C16513 docosadienoate (22:2n6) 5282807 C16533 adrenate (22:4n6) 5282844,5497181 C16527 docosatrienoate (22:3n3) 5312556 C16534 10-undecenoate (11:1n1) 14891 C13910 myristoleate (14:1n5) 5281119 C08322 1-methylhistamine 3614 C05127 4-imidazoleacetate 96215 C02835 1-methyl-4-imidazoleacetate 75810 C05828 sebacate (C10-DC) 5192 C08277 guanidinosuccinate 439918 C03139 daidzein 5281708 C10208 genistein 5280961 C06563 stearidonate (18:4n3) 5312508 C16300 5-dodecenoate (12:1n7) 5312378 octanoylcarnitine (C8) 123701,11953814 C02838 tauro-beta-muricholate 121596216,21124703,168408 decanoylcarnitine (C10) 10245190 N-acetylglutamine 182230 C02716 N-acetyltryptophan 439917,700653 C03137 N-acetylphenylalanine 74839 C03519 N-acetylasparagine 99715 glycylleucine 92843 C02155 S-methylglutathione 115260 C11347 gamma-glutamyl-epsilon-lysine 7015685 1-palmitoyl-GPC (16:0) 86554 C04102 N-acetylarginine 67427 C02562 campesterol 173183 C01789 myristoylcarnitine (C14) 6426854 1-stearoyl-GPC (18:0) 497300 1-oleoyl-GPC (18:1) 16081932 C03916 N-acetylthreonine 152204 phenylacetylglycine 68144 C05598 N-acetylisoleucine 306109 10-nonadecenoate (19:1n9) 5312513 10-heptadecenoate (17:1n7) 5312435 hyocholate 92805 C17649 alpha-muricholate 53477700 C17647 N-acetylhistidine 75619 C02997 gamma-glutamylglycine 100099 gamma-glutamyltryptophan 3989307 stachydrine 115244 C10172 alpha-hydroxyisovalerate 99823 nicotinamide riboside 439924 C03150 ophthalmate 7018721 gamma-glutamylmethionine 7009567 gamma-glutamylthreonine 76078708 p-cresol sulfate 4615423 nicotinate ribonucleoside 161233 C05841 erythronate* 2781043 N-acetylproline 322640 eicosenoate (20:1) 5282768,5282769,94159 C16526 linolenate [alpha or gamma; (18:3n3 or 6)] 5280933,5280934 C06426,C06427 aconitate [cis or trans] 444212,643757 C004174,C02341 heme 26945 C00032 stearoylcarnitine (C18) 3006797 laurylcarnitine (C12) 168381 isovalerylcarnitine (C5) 169235 C20826 1-linoleoyl-GPC (18:2) 11988421 C04100 2-myristoylglycerol (14:0) 137938 N1-methylinosine 650095 N2,N2-dimethylguanosine 135501639 N4-acetylcytidine 107461 N6-carbamoylthreonyladenosine 161466 orotidine 92751 phenylacetylglutamine 92258 C04148 taurocyamine 68340 C01959 4-hydroxyhippurate 151012 5,6-dihydrouridine 94312 3-(3-amino-3-carboxypropyl)uridine* 171198 1-pentadecanoylglycerol (15:0) 190750 1-arachidonylglycerol (20:4) 16019980,5282281 C13857 1-linolenoylglycerol (18:3) 53480978 cysteine-glutathione disulfide 3080690 R00900 1-palmitoyl-GPA (16:0) 6419701 C04036 5-methyluridine (ribothymidine) 445408 valerylglycine 4737557 isovalerylglycine 546304 3-hydroxydodecanedioate* 16663321 7-methylguanine 135398679 C02242 1-stearoyl-GPE (18:0) 9547068 1-stearoyl-GPG (18:0) 3-methylcytidine 14237477 N1-Methyl-2-pyridone-5-carboxamide 69698 C05842 N1-Methyl-4-pyridone-3-carboxamide 440810 C05843 mead acid (20:3n9) 5312531 1-docosahexaenoylglycerol (22:6) 53480995 1-dihomo-linoleoylglycerol (20:2) gamma-glutamylisoleucine* 22885096 N-glycolylneuraminate 123802 C03410 pantetheine 439322 C00831 oleoylcarnitine (C18:1) 6441392 dihydrobiopterin 135402011 C00268 4-hydroxybutyrate (GHB) 10413 C00989 2-methylbutyrylcarnitine (C5) 6426901 phenol sulfate 74426 C02180 1-palmitoleoyl-GPC (16:1)* 24779461 malonylcarnitine 22833583 hexanoylglycine 99463 3-ureidoisobutyrate 160663 C05100 glutamine_degradant* 2-hydroxy-3-methylvalerate 164623 ferulate 445858 C01494 homostachydrine* 441447 C08283 1-arachidonoyl-GPC (20:4n6)* 24779476 C05208 2-palmitoleoyl-GPC (16:1)* 122164832 2-palmitoyl-GPC (16:0)* 15061532 1-palmitoyl-GPE (16:0) 9547069 1-oleoyl-GPE (18:1) 9547071 1-linoleoyl-GPE (18:2)* 52925130 1-arachidonoyl-GPE (20:4n6)* 42607465 N-acetylcitrulline 656979 C15532,C02851 2-hydroxypalmitate 12575964,92836,11065598 docosapentaenoate (n6 DPA; 22:5n6) 6441454 C16513 gulonate* 152304 C00800 isobutyrylglycine 10855600 phenylpropionylglycine 152323 glutarylcarnitine (C5-DC) 71317118 beta-hydroxyisovaleroylcarnitine tiglylcarnitine (C5:1-DC) 22833596 hydroquinone sulfate 161220 C00530 catechol sulfate 3083879 cholesterol sulfate 65076 C18043 7-alpha-hydroxy-3-oxo-4-cholestenoate (7-Hoca) 3081085 C17337 N-acetyl-aspartyl-glutamate (NAAG) 188803 C12270 tetradecanedioate (C14-DC) 13185 hexadecanedioate (C16-DC) 10459 C19615 octadecanedioate (C18-DC) 70095 undecanedioate (C11-DC) 15816 1-myristoylglycerol (14:0) 10957631 C01885 glycerophosphoglycerol 54575349 C03274 glycerophosphoethanolamine 123874 C01233 glycerophosphoinositol* 167572 2-(4-hydroxyphenyl)propionate 102526 C03080 3-(3-hydroxyphenyl)propionate 91 C11457 6-beta-hydroxylithocholate 5283821 C15515 sedoheptulose-7-phosphate 616 C05382 ectoine 126041 C06231 1-arachidonoyl-GPI (20:4)* 121596217 1-palmitoyl-GPI (16:0) 71296207 deoxycarnitine 22620 C01181 N6-succinyladenosine 165243 1-ribosyl-imidazoleacetate* 440569 C05131 4-hydroxycinnamate 637542 C00811 N2-acetyllysine 92907 C12989 3,4-dihydroxybutyrate 150929 N6-acetyllysine 92832 C02727 dihomo-linolenate (20:3n3 or n6) 5280581 C03242 mannitol/sorbitol 5780,6251 C00392,C00794 4-vinylphenol sulfate 6426766 C05627 4-ethylphenylsulfate 20822574 C13637 3-methyladipate 12292 pyrraline 14274616 C21013 N6-carboxymethyllysine 123800 1-oleoyl-GPI (18:1) 86289645 1-linoleoyl-GPI (18:2)* 11124828 2-amino-p-cresol sulfate methylphosphate 13130 o-cresol sulfate 11615528 dimethylarginine (SDMA + ADMA) 123831,169148 C21189,C03626 gamma-glutamylalanine 440103 C03738 N-acetylserine 65249 1-stearoyl-2-oleoyl-GPE (18:0/18:1) 9546742 chiro-inositol C19891 4-allylphenol sulfate 66633409 1-stearoyl-2-arachidonoyl-GPC (18:0/20:4) 16219824 1-palmitoyl-2-linoleoyl-GPE (16:0/18:2) 9546747 1-stearoyl-2-arachidonoyl-GPS (18:0/20:4) 24779545 sphinganine-1-phosphate 520 glycosyl-N-nervonoyl-sphingosine (d18:1/24:1)* 20057357,53480656 glycosyl-N-stearoyl-sphingosine (d18:1/18:0) cyclo(leu-pro) 7074739 succinylcarnitine (C4-DC) 71464481 bilirubin (E,E)* 129320511 N-methylproline 643474 taurocholenate sulfate* 2-hydroxyglutarate 43 C02630 N-acetyl-beta-alanine 76406 C01073 5-methylthioribose** 6419710 sphingomyelin (d18:1/18:1, d18:2/18:0) 6443882 palmitoyl sphingomyelin (d18:1/16:0) 9939941 cysteine sulfinic acid 109 C00606 betonicine 164642 C08269 ergothioneine 5351619 C05570 12-HEPE 10041593 12-HETE 5283155 C14777 S-methylmethionine 458 C05319 indole-3-carboxylate 69867 C19837 13-HODE + 9-HODE 5312830,5282945,1424,5282947,5282944 C14767,C14762 N-acetyl-3-methylhistidine* 193270 alpha-CEHC 9943542 hydroquinone beta-D-glucopyranoside 346 C06186 4-cholesten-3-one 91477 C00599 homovanillate sulfate 29981063 cinnamoylglycine 709625 stearoyl ethanolamide 27902 cis-4-decenoylcarnitine (C10:1) 57357170 2S,3R-dihydroxybutyrate 10964471 5-methyl-2'-deoxycytidine 440055 C03592 S-carboxymethyl-L-cysteine 193653 C03727 (12 or 13)-methylmyristate (a15:0 or i15:0) 151014 (16 or 17)-methylstearate (a19:0 or i19:0) 3083779 2R,3R-dihydroxybutyrate 13120901 4-methylbenzenesulfonate 85570 C06677 alpha-ketoglutaramate* 48 C00940 2,3-dihydroxyisovalerate 677 C04039 3-methylglutaconate 1551553 5-(galactosylhydroxy)-L-lysine 66995551 cysteinylglycine disulfide* 22833544 formiminoglutamate 439233 C00439 hydantoin-5-propionate 782 C05565 sulfate* 5152822 C00059 4-hydroxyglutamate 439902 C03079 pantoate 5289105 C00522 sedoheptulose 5459879 C02076 S-methylcysteine 24417,7058174,88180 nicotinamide N-oxide 72661 argininate* 160437 2-oxoarginine* 558 C03771 cis-4-decenoate (10:1n6)* 5282726 1-lignoceroyl-GPC (24:0) 24779481 1-(1-enyl-palmitoyl)-GPC (P-16:0)* 10917802 1-methyl-5-imidazoleacetate 6451814 tauroursodeoxycholate 9848818 ursocholate 122340 C17644 3-(4-hydroxyphenyl)propionate 10394 C01744 S-methylcysteine sulfoxide 82142 (14 or 15)-methylpalmitate (a17:0 or i17:0) 8181,17903417 C16995 eicosanedioate (C20-DC) 75502 docosadioate (C22-DC) 7641 C14240 16-hydroxypalmitate 10466 C18218 UDP-N-acetylglucosamine/galactosamine 44576,1167 C00203,C00043 oleoyl-linoleoyl-glycerol (18:1/18:2) [1] 14275396 oleoyl-linoleoyl-glycerol (18:1/18:2) [2] 71433693 1-(1-enyl-palmitoyl)-GPE (P-16:0)* 1-(1-enyl-stearoyl)-GPE (P-18:0)* 2-oxindole-3-acetate 3080590 N-oleoyltaurine 6437033 linoleoylcarnitine (C18:2)* 6450015 N-methyl-GABA 70703 C15987 valylleucine 352039 N-palmitoyltaurine 14504290 N-stearoyltaurine 168274 2-O-methylascorbic acid 54726398 carboxyethyl-GABA 2572 hydroxymethylpyrimidine 777 C01279 trimethylamine N-oxide 1145 C01104 N6-methyllysine 164795 C02728 cis-urocanate 1549103 equol sulfate imidazole propionate 70630 prolylglycine 6426709 N-palmitoylglycine 151008 mannonate* 3246006 3-hydroxyindolin-2-one 6097 C11130 taurohyodeoxycholic acid 12443252 lanthionine 98504 equol glucuronide 46781484 2-stearoyl-GPE (18:0)* 90658453,53480667 (R)-3-hydroxybutyrylcarnitine 53481617 N-octanoylglycine 84290 N-acetylcarnosine 9903482 margaroylcarnitine (C17)* 53477803 histidine betaine (hercynine)* 3083620 retinal 638015 C00376 2-hydroxydecanoate 21488 4-methylcatechol sulfate 54104170 3-methyl catechol sulfate (1) 118431379 heptanoyl glycine 10932172 guaiacol sulfate 22473 2-aminooctanoate 69522 dimethyl sulfone 6213 C11142 2-piperidinone 12665 N-acetyl-1-methylhistidine* 53859791 indolin-2-one 321710 C12312 2,8-quinolinediol sulfate 2-aminophenol sulfate 181670 3-acetylphenol sulfate sphingomyelin (d18:1/14:0, d16:1/16:0)* 11433862 sphingomyelin (d18:2/16:0, d18:1/16:1)* 3-hydroxyadipate 151913 1-arachidonoyl-GPA (20:4) 42607498 N-monomethylarginine 132862 C03884 6-oxopiperidine-2-carboxylate 3014237 N-delta-acetylornithine 9920500 C00437 2-aminoheptanoate 227939 benzoylcarnitine* N-formylanthranilic acid 101399 C05653 S-(3-hydroxypropyl)mercapturic acid (HPMA) 119083 N2,N5-diacetylornithine 65977 1H-indole-7-acetic acid 18356439 1-linoleoyl-GPS (18:2)* methionine sulfone 69961 1-linolenoyl-GPC (18:3)* C04100 1-(1-enyl-oleoyl)-GPE (P-18:1)* fructosyllysine 9839580 N-methylpipecolate 11286529 O-sulfo-L-tyrosine 514186 ferulic acid 4-sulfate 6305574 3-(3-hydroxyphenyl)propionate sulfate 187488 N-acetylmethionine sulfoxide 11902949 N-acetyltaurine 159864 1-oleoyl-GPG (18:1)* 1-palmitoyl-GPG (16:0)* 3300276 1-palmitoyl-GPS (16:0)* 9547100 N-linoleoyltaurine* 52922081 methyl glucopyranoside (alpha + beta) 445238,3036743,2108 2-keto-3-deoxy-gluconate 161227 C00204 sphingomyelin (d18:2/14:0, d18:1/14:1)* sphingomyelin (d18:1/24:1, d18:2/24:0)* 44260126 octadecenedioylcarnitine (C18:1-DC)* octadecanedioylcarnitine (C18-DC)* myristoleoylcarnitine (C14:1)* 129691961 N-formylphenylalanine 759256,7064571 4-hydroxycinnamate sulfate 6070438 3-hydroxypyridine sulfate maltol sulfate phenylacetylcarnitine 101724840 arabonate/xylonate 122045,6602431 C00502,C05411 methyl-4-hydroxybenzoate sulfate 10657183 N-acetylpyrraline C01227 1-dihomo-linolenylglycerol (20:3) ribulose/xylulose 5289590,151261 N-acetylhistamine 69602 C05135 N2,N6-diacetyllysine 91827 4-vinylguaiacol sulfate 53803570 vanillactate 160637 2-acetamidophenol sulfate 181671 p-cresol glucuronide* 154035 benzyl alcohol glucuronide 9795797 3,4-dihydroxyphenylacetate sulfate 193283 6-hydroxyindole sulfate 122198196 4-methoxyphenol sulfate sphingomyelin (d18:1/20:0, d16:1/22:0)* 44260124 sphingomyelin (d18:1/20:1, d18:2/20:0)* sphingomyelin (d18:1/20:2, d18:2/20:1, d16:1/22:2)* behenoyl sphingomyelin (d18:1/22:0)* 44260125 sphingomyelin (d18:1/22:1, d18:2/22:0, d16:1/24:1)* sphingomyelin (d18:1/22:2, d18:2/22:1, d16:1/24:2)* lignoceroyl sphingomyelin (d18:1/24:0) sphingomyelin (d17:1/16:0, d18:1/15:0, d16:1/17:0)* 2-docosahexaenoylglycerol (22:6)* 46896303 dopamine 3-O-sulfate 122136 C13690 daidzein sulfate (2) 12114465 3-hydroxyhexanoate 151492 3beta-hydroxy-5-cholestenoate 165511 C17333 1,2,3-benzenetriol sulfate (2) 92013662,54110629 3-methoxycatechol sulfate (1) 129892430 3-methoxycatechol sulfate (2) N-acetylkynurenine (2) 73817779 C-glycosyltryptophan 10981970 arabitol/xylitol 94154,6912 C00379,C00542,C01904 N-acetylglucosamine/N-acetylgalactosamine 439174,84265 C01074 adipoylcarnitine (C6-DC) 71296139 nonanoylcarnitine (C9) 91825642 suberoylcarnitine (C8-DC) 4-hydroxyphenylacetate sulfate phenol glucuronide 87235 linoleoyl ethanolamide 5283446 indoleacetylglycine 446640 1,2-dilinoleoyl-GPC (18:2/18:2) 5288075 1-stearoyl-2-oleoyl-GPC (18:0/18:1) 24778825 1-palmitoyl-2-arachidonoyl-GPC (16:0/20:4n6) 10747814 C05208 1-palmitoyl-2-docosahexaenoyl-GPC (16:0/22:6) 6441886 1-stearoyl-2-docosahexaenoyl-GPC (18:0/22:6) 24778876 1-(1-enyl-stearoyl)-2-oleoyl-GPE (P-18:0/18:1) 42607457 sphingomyelin (d18:1/17:0, d17:1/18:0, d19:1/16:0) 46891763 1-palmitoyl-2-stearoyl-GPC (16:0/18:0) 24778686 C03889 2-hydroxybutyrate/2-hydroxyisobutyrate 440864,4277439 C21297,C05984 2-methylcitrate/homocitrate 439459,515 C01251 oleate/vaccenate (18:1) 5282761,637517,5281127,445639 C21944,C08367,C01712,C00712 indoxyl glucuronide 2733785 phenylacetyltaurine 2179693 3-hydroxystearate 5282907 2-hydroxylaurate 97783 1-palmitoleoylglycerol (16:1)* 2-palmitoleoylglycerol (16:1)* 53480960 palmitoyl dihydrosphingomyelin (d18:0/16:0)* 9939965 tricosanoyl sphingomyelin (d18:1/23:0)* sphingomyelin (d18:2/23:0, d18:1/23:1, d17:1/24:1)* 134757653 sphingomyelin (d18:2/24:1, d18:1/24:2)* 85336023 1-stearoyl-2-linoleoyl-GPE (18:0/18:2)* 9546749 1-stearoyl-2-arachidonoyl-GPE (18:0/20:4) 5289133 C05210 1-stearoyl-2-linoleoyl-GPC (18:0/18:2)* 6441487 1-oleoyl-2-linoleoyl-GPC (18:1/18:2)* 24778939 1-palmitoyl-2-palmitoleoyl-GPC (16:0/16:1)* 6443788 1-palmitoyl-2-dihomo-linolenoyl-GPC (16:0/20:3n3 or 6)* 1-palmitoyl-2-arachidonoyl-GPE (16:0/20:4)* 9546800 C05210 1-palmitoyl-2-docosahexaenoyl-GPE (16:0/22:6)* 9546799 1-stearoyl-2-docosahexaenoyl-GPE (18:0/22:6)* 9546798 1-palmitoyl-2-arachidonoyl-GPI (16:0/20:4)* 1-stearoyl-2-linoleoyl-GPI (18:0/18:2) gamma-tocopherol/beta-tocopherol C14152,C02483 1-(1-enyl-stearoyl)-2-arachidonoyl-GPE (P-18:0/20:4)* 9547058 1-(1-enyl-palmitoyl)-2-arachidonoyl-GPE (P-16:0/20:4)* 52925126 1-(1-enyl-palmitoyl)-2-oleoyl-GPE (P-16:0/18:1)* 52925128 1-(1-enyl-palmitoyl)-2-oleoyl-GPC (P-16:0/18:1)* 34779384 1-(1-enyl-palmitoyl)-2-linoleoyl-GPC (P-16:0/18:2)* 24779386 1-(1-enyl-palmitoyl)-2-arachidonoyl-GPC (P-16:0/20:4)* sphingomyelin (d18:1/21:0, d17:1/22:0, d16:1/23:0)* behenoyl dihydrosphingomyelin (d18:0/22:0)* 44260132 sphingomyelin (d18:0/18:0, d19:0/17:0)* 44260130 N-palmitoyl-sphinganine (d18:0/16:0) 5283572 lactosyl-N-palmitoyl-sphingosine (d18:1/16:0) 53477895 myristoyl dihydrosphingomyelin (d18:0/14:0)* 44260138 phenylacetylglutamate 11579826 palmitoyl-linoleoyl-glycerol (16:0/18:2) [1]* 9543695 palmitoyl-linoleoyl-glycerol (16:0/18:2) [2]* 131801744 1-palmitoyl-2-oleoyl-GPI (16:0/18:1)* 71296232 1-(1-enyl-palmitoyl)-2-linoleoyl-GPE (P-16:0/18:2)* 52925127 1-palmitoleoyl-2-linoleoyl-GPC (16:1/18:2)* 24778768 1-oleoyl-2-linoleoyl-GPE (18:1/18:2)* 9546753 1-linoleoyl-GPA (18:2)* 1-oleoyl-2-docosahexaenoyl-GPC (18:1/22:6)* 24778955 1-linoleoyl-2-arachidonoyl-GPC (18:2/20:4n6)* 24778979 C05208 1-myristoyl-2-arachidonoyl-GPC (14:0/20:4)* 24778634 1-palmitoyl-2-gamma-linolenoyl-GPC (16:0/18:3n6)* 24778699 1-(1-enyl-palmitoyl)-2-palmitoyl-GPC (P-16:0/16:0)* 11146967 1-stearoyl-2-oleoyl-GPI (18:0/18:1)* 1,2-dipalmitoyl-GPE (16:0/16:0)* 445468 1,2-dilinoleoyl-GPE (18:2/18:2)* 9546812 1-oleoyl-2-arachidonoyl-GPE (18:1/20:4)* 348281223 1-oleoyl-2-docosahexaenoyl-GPE (18:1/22:6)* 52922113 1-linoleoyl-2-arachidonoyl-GPE (18:2/20:4)* 348279332 1-(1-enyl-stearoyl)-2-linoleoyl-GPE (P-18:0/18:2)* 1-linoleoyl-GPG (18:2)* gamma-glutamylserine 22844748 thioproline 93176 palmitoylcholine 151731 isocitric lactone 98259 (S)-3-hydroxybutyrylcarnitine 71464477 glycosyl-N-palmitoyl-sphingosine (d18:1/16:0) 14-HDoHE/17-HDoHE 6439179,11566378 catechol glucuronide 75124209 ascorbic acid 2-sulfate 54676864 arachidonoylcholine 122198216 caffeic acid sulfate 21668705 1-linoleoyl-2-linolenoyl-GPC (18:2/18:3)* 52922731 1-palmitoleoyl-2-linolenoyl-GPC (16:1/18:3)* 52922452 hexadecatrienoate (16:3n3) 91820460 hexadecadienoate (16:2n6) 13932172 palmitoleoylcarnitine (C16:1)* 71464547 pimeloylcarnitine/3-methyladipoylcarnitine (C7-DC) trans-3,4-methyleneheptanoylglycine 129822188 indolepropionylglycine 129691959 2-hydroxyoleate 9796304 2,3-dihydroxy-2-methylbutyrate 301941 2'-O-methylcytidine 150971 2'-O-methyluridine 102212 gamma-glutamyl-alpha-lysine 65254 palmitoyl-oleoyl-glycerol (16:0/18:1) [1]* 5282283 C13861 palmitoyl-oleoyl-glycerol (16:0/18:1) [2]* 5282283 C13861 oleoyl-oleoyl-glycerol (18:1/18:1) [1]* 9543716 oleoyl-oleoyl-glycerol (18:1/18:1) [2]* 9543716 stearoyl-linoleoyl-glycerol (18:0/18:2) [1]* stearoyl-linoleoyl-glycerol (18:0/18:2) [2]* linoleoyl-arachidonoyl-glycerol (18:2/20:4) [1]* 9543796 linoleoyl-arachidonoyl-glycerol (18:2/20:4) [2]* 9543796 palmitoyl-arachidonoyl-glycerol (16:0/20:4) [1]* 9543736 palmitoyl-arachidonoyl-glycerol (16:0/20:4) [2]* 9543736 linoleoyl-linolenoyl-glycerol (18:2/18:3) [1]* 14275409 linoleoyl-linolenoyl-glycerol (18:2/18:3) [2]* 9543737 linoleoyl-docosahexaenoyl-glycerol (18:2/22:6) [1]* 9543899 linoleoyl-docosahexaenoyl-glycerol (18:2/22:6) [2]* 9543899 palmitoleoyl-linoleoyl-glycerol (16:1/18:2) [1]* 9543699 diacylglycerol (14:0/18:1, 16:0/16:1) [1]* diacylglycerol (14:0/18:1, 16:0/16:1) [2]* oleoyl-arachidonoyl-glycerol (18:1/20:4) [1]* 9543786 oleoyl-arachidonoyl-glycerol (18:1/20:4) [2]* 9543786 palmitoyl-linolenoyl-glycerol (16:0/18:3) [2]* 348277338,348277337 diacylglycerol (16:1/18:2 [2], 16:0/18:3 [1])* linoleoyl-linoleoyl-glycerol (18:2/18:2) [1]* 9543729 linoleoyl-linoleoyl-glycerol (18:2/18:2) [2]* 9543729 palmitoyl-palmitoyl-glycerol (16:0/16:0) [2]* 644078 stearoyl-arachidonoyl-glycerol (18:0/20:4) [1]* 6438587 C00165 stearoyl-arachidonoyl-glycerol (18:0/20:4) [2]* 6438587 1-oleoyl-2-arachidonoyl-GPI (18:1/20:4)* perfluorooctanesulfonate (PFOS) 74483 C18142 N-palmitoyl-sphingadienine (d18:2/16:0)* palmitoyl-docosahexaenoyl-glycerol (16:0/22:6) [1]* 9543827 N-behenoyl-sphingadienine (d18:2/22:0)* glycosyl-N-behenoyl-sphingadienine (d18:2/22:0)* sphingadienine 6449795 glycerophosphoserine* 3081457 palmitoleoyl-arachidonoyl-glycerol (16:1/20:4) [2]* heptadecasphingosine (d17:1) 5283557 ceramide (d16:1/24:1, d18:1/22:1)* glycosyl ceramide (d16:1/24:1, d18:1/22:1)* ceramide (d18:1/14:0, d16:1/16:0)* ceramide (d18:1/17:0, d17:1/18:0)* ceramide (d18:2/24:1, d18:1/24:2)* glycosyl ceramide (d18:2/24:1, d18:1/24:2)* glycosyl-N-tricosanoyl-sphingadienine (d18:2/23:0)* glycosyl ceramide (d18:1/23:1, d17:1/24:1)* ceramide (d18:1/20:0, d16:1/22:0, d20:1/18:0)* linoleoylcholine* 53481656 docosatrienoate (22:3n6)* 75955220 nisinate (24:6n3) 11792612 sphingomyelin (d18:0/20:0, d16:0/22:0)* sphingomyelin (d18:1/19:0, d19:1/18:0)* sphingomyelin (d18:2/18:1)* 52931155 sphingomyelin (d18:2/24:2)* sphingomyelin (d18:2/21:0, d16:2/23:0)* sphingomyelin (d18:2/23:1)* sphingomyelin (d18:1/25:0, d19:0/24:1, d20:1/23:0, d19:1/24:0)* sphingomyelin (d17:2/16:0, d18:2/15:0)* heneicosapentaenoate (21:5n3) 11998573 linolenoylcarnitine (C18:3)* behenoylcarnitine (C22)* 71464577 arachidoylcarnitine (C20)* 53477833 lignoceroylcarnitine (C24)* arachidonoylcarnitine (C20:4) 136212424 eicosenoylcarnitine (C20:1)* dihomo-linoleoylcarnitine (C20:2)* dihomo-linolenoylcarnitine (C20:3n3 or 6)* erucoylcarnitine (C22:1)* pentadecanoylcarnitine (C15)* 123132011 docosahexaenoylcarnitine (C22:6)* nervonoylcarnitine (C24:1)* adrenoylcarnitine (C22:4)* docosapentaenoylcarnitine (C22:5n3)* 71464594 glycosyl ceramide (d18:1/20:0, d16:1/22:0)* N,N,N-trimethyl-5-aminovalerate 14274897 carotene diol (1) (N(1) + N(8))-acetylspermidine 496,123689 C01029,C00612 isocaproylcarnitine 5-dodecenoylcarnitine (C12:1) 91825571 2-butenoylglycine 6303498 N-palmitoyl-phytosphingosine (t18:0/16:0) 10506988 3-hydroxypalmitoylcarnitine 126456228 3-hydroxyoleoylcarnitine 129637446 isocaproylglycine 28777652 8-hydroxyoctanoylglycine trans-2-hexenoylglycine 2-hydroxyarachidate* 5225199 3-hydroxyarachidate* 5282918 18-methylnonadecanoate (i20:0) 4383090 3-hydroxyoleate* lyxonate heptadecanedioate (C17-DC) 3083765 nonadecanedioate (C19-DC) 12572015 dodecenedioate (C12:1-DC)* 5283028 hexadecenedioate (C16:1-DC)* octadecenedioate (C18:1-DC) 9543674 heptenedioate (C7:1-DC)* octadecadienedioate (C18:2-DC)* glucuronide of C14H22O4 (1)* 3-carboxy-4-methyl-5-pentyl-2-furanpropionate (3-CMPFP)** 194501 methylnaphthyl sulfate (2)* glucuronide of C14H22O4 (2)* N-acetyl-2-aminooctanoate* 95555 hydroxyasparagine** 15991574 C20631 daidzein 7-O-glucuronide 11316354 genistein sulfate* 3-hydroxybutyroylglycine** glyco-beta-muricholate** genistein glucuronide* N,N,N-trimethyl-alanylproline betaine (TMAP) 3-formylindole 10256 C08493 gamma-glutamylcitrulline* glycine conjugate of C10H14O2 (1)* dihydroferulic acid sulfate 187489 tetradecadienoate (14:2)* 5312409 3-amino-2-piperidone 5200225 N,N-dimethylalanine 5488191 3-indoleglyoxylic acid 73863 ethyl beta-glucopyranoside 121667 2-hydroxysebacate 128458 enterolactone sulfate ascorbic acid 3-sulfate* 11425365 N6,N6-dimethyllysine 193344 C05545 dodecadienoate (12:2)* 25480 N-acetyl-isoputreanine 131802901 N-acetylhomocitrulline 2-naphthol sulfate 74428 4-ethylcatechol sulfate N2-acetyl,N6,N6-dimethyllysine 4-allylcatechol sulfate 4-methylhexanoylglycine 3-hydroxyoctanoylglycine 1-heptadecenoylglycerol (17:1)* dihydrocaffeate sulfate (2) 3-hydroxyhexanoylcarnitine (1) 2,6-dihydroxybenzoic acid 9338 N,N-dimethyl-5-aminovalerate 4-acetylcatechol sulfate (1) 2,3-dihydroxy-5-methylthio-4-pentenoate (DMTPA)* 5-hydroxy-2-methylpyridine sulfate 3-hydroxy-2-methylpyridine sulfate hydroxypalmitoyl sphingomyelin (d18:1/16:0(OH))** glycitein sulfate (2) tetradecadienedioate (C14:2-DC)* 86018718 eicosenedioate (C20:1-DC)* glu-gly-asn-val** hydroxy-N6,N6,N6-trimethyllysine* undecenoylcarnitine (C11:1) 3-decenoylcarnitine 3-hydroxydecanoylcarnitine 121454166 picolinoylglycine 11788622 4-vinylcatechol sulfate 4-vinylguaiacol glucuronide succinoyltaurine hexanoyltaurine 2245940 phenylalanylhydroxyproline* 53480675 leucylhydroxyproline* 20847829 isoleucylhydroxyproline* 61158802 3,5-dichloro-2,6-dihydroxybenzoic acid 24721632 vanillic acid glycine 3083688 2-hydroxy-4-(methylthio)butanoic acid 11427 branched chain 14:0 dicarboxylic acid** pentose acid* 7991 C00803 1-methyl-5-imidazolelactate (2 or 3)-decenoate (10:1n7 or n8) branched-chain, straight-chain, or cyclopropyl 10:1 fatty acid (1)* branched-chain, straight-chain, or cyclopropyl 10:1 fatty acid (2)* citronellic acid 10402 C16462 glycine conjugate of C6H10O2 (2)* glycine conjugate of C6H10O2 (3)* 3-bromo-5-chloro-2,6-dihydroxybenzoic acid* 134581543 branched-chain, straight-chain, or cyclopropyl 12:1 fatty acid* decadienedioic acid (C10:2-DC)** 17789717 cis-3,4-methyleneheptanoylcarnitine N-acetyl-2-aminoadipate 443992 C12986 2-methoxyhydroquinone sulfate (1) 2-methoxyhydroquinone sulfate (2) 2,4-di-tert-butylphenol 3-hydroxyoctanoylcarnitine (1) 3-hydroxyoctanoylcarnitine (2) cis-3,4-methyleneheptanoylglycine bilirubin degradation product, C16H18N2O5 (2)** bilirubin degradation product, C17H18N2O4 (1)** bilirubin degradation product, C17H18N2O4 (2)** bilirubin degradation product, C17H18N2O4 (3)** bilirubin degradation product, C17H20N2O5 (1)** bilirubin degradation product, C17H20N2O5 (2)** N,N-dimethyl-pro-pro oxindolylalanine 20977764 perfluorohexanesulfonate (PFHxS) METABOLITES_END #END