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SWMHS_urine_Metabolon_092018

Explanation
  • SWMHS_urine_Metabolon_092018
  • OrigScale:Values are normalized in terms of raw area counts.
  • ScaledImpData:
      Each biochemical in OrigScale is rescaled to set the median equal to 1.
      Then, missing values are imputed with the minimum.
  • VolNormImpData:
      Values for each sample are normalized by sample volume available/utilized for extraction.
      Each biochemical in OrigScale is then rescaled to set the median equal to 1.
      Lastly, missing values are imputed with the minimum.
  • OrigScale (VAND-02-18ML+ CLIENT DATA TABLE 9.10.18)

    Sample_ID(2,4 or 2,5)-dimethylphenol sulfate(N(1) + N(8))-acetylspermidine(R)-3-hydroxybutyrylcarnitine(S)-3-hydroxybutyrylcarnitine(S)-a-amino-omega-caprolactam1,2,3-benzenetriol sulfate (1)1,2,3-benzenetriol sulfate (2)1,3,7-trimethylurate1,3-dimethylurate1,5-anhydroglucitol (1,5-AG)1,6-anhydroglucose1,7-dimethylurate11beta-hydroxyandrosterone glucuronide11-ketoetiocholanolone glucuronide11-ketoetiocholanolone sulfate12-dehydrocholate16a-hydroxy DHEA 3-sulfate17alpha-hydroxypregnanolone glucuronide1-carboxyethylisoleucine1-carboxyethylleucine1-carboxyethylphenylalanine1-carboxyethyltyrosine1-carboxyethylvaline1-methyl-4-imidazoleacetate1-methyl-5-imidazoleacetate1-methyladenine1-methyl-beta-carboline-3-carboxylic acid1-methylguanidine1-methylguanine1-methylhistamine1-methylhistidine1-methylhypoxanthine1-methylnicotinamide1-methylurate1-methylxanthine1-ribosyl-imidazoleacetate*2-(4-hydroxyphenyl)propionate2,3-dihydroxy-3-methylvalerate2,3-dihydroxy-5-methylthio-4-pentenoate (DMTPA)*2,3-dihydroxyisovalerate2,3-dihydroxypyridine2,3-dimethylphenol sulfate2,3-dimethylsuccinate2,4,6-trihydroxybenzoate2,4-dihydroxyhydrocinnamate2,6-dihydroxybenzoic acid2,6-dimethylphenol sulfate2,8-quinolinediol sulfate21-hydroxypregnenolone disulfate2-acetamidophenol sulfate2-aminoadipate2-aminoheptanoate2-aminooctanoate2-aminophenol sulfate2-butenoylglycine2'-deoxyadenosine2-dimethylaminoethanol2-ethylphenylsulfate2-furoylcarnitine2-hydroxy-3-methylvalerate2-hydroxyacetaminophen sulfate*2-hydroxyadipate2-hydroxybutyrate/2-hydroxyisobutyrate2-hydroxyglutarate2-hydroxyhippurate (salicylurate)2-hydroxyibuprofen2-hydroxyoctanoate2-hydroxyphenylacetate2-hydroxysebacate2-isopropylmalate2-keto-3-deoxy-gluconate2-ketogluconate2-methoxyacetaminophen glucuronide*2-methoxyacetaminophen sulfate*2-methoxyresorcinol sulfate2-methylbutyrylcarnitine (C5)2-methylbutyrylglycine (C5)2-methylcitrate2-methylhippurate2-methylmalonylcarnitine (C4-DC)2-methylserine2-octenoylglutamine2-octenoylglycine2'-O-methylcytidine2'-O-methyluridine2-oxindole-3-acetate2-oxo-1-pyrrolidinepropionate2-oxoadipate2-oxoarginine*2-piperidinone2R,3R-dihydroxybutyrate2S,3R-dihydroxybutyrate3-(3-amino-3-carboxypropyl)uridine*3-(3-hydroxyphenyl)propionate3-(3-hydroxyphenyl)propionate sulfate3-(4-hydroxyphenyl)lactate (HPLA)3-(cystein-S-yl)acetaminophen*3-(methylthio)acetaminophen sulfate*3-(N-acetyl-L-cystein-S-yl) acetaminophen3,4-dihydroxybutyrate3,4-dihydroxyphenylacetate3,4-dihydroxyphenylacetate sulfate3,4-methylene heptanoylglycine3,4-methyleneheptanoate3,4-methyleneheptanoylcarnitine3,5-dihydroxybenzoic acid3,7-dimethylurate3-acetylphenol3-acetylphenol sulfate3alpha,21-dihydroxy-5beta-pregnane-11,20-dione 21-glucuronide3-amino-2-piperidone3-aminoisobutyrate3'-a-sialyl-N-acetyllactosamine3-carboxy-4-methyl-5-pentyl-2-furanpropionate (3-CMPFP)3-carboxy-4-methyl-5-propyl-2-furanpropanoate (CMPF)3-ethylcatechol sulfate (1)3-ethylcatechol sulfate (2)3-formylindole3-heptenoylglutamine3-hydroxy-2-ethylpropionate3-hydroxy-2-methylpyridine sulfate3-hydroxy-3-methylglutarate3-hydroxy-4-methylpyridine sulfate3-hydroxyadipate*3-hydroxyanthranilate3-hydroxybenzoate3-hydroxybutyrate (BHBA)3-hydroxybutyroylglycine3-hydroxycinnamate3-hydroxycinnamate sulfate3-hydroxycotinine glucuronide3-hydroxydecanoylcarnitine3-hydroxydodecanedioate*3-hydroxyhexanoate3-hydroxyhexanoylcarnitine (1)3-hydroxyhexanoylcarnitine (2)3-hydroxyhippurate3-hydroxyhippurate sulfate3-hydroxyindolin-2-one3-hydroxyindolin-2-one sulfate3-hydroxyisobutyrate3-hydroxyisonicotinic acid3-hydroxykynurenine3-hydroxyphenylacetate3-hydroxyphenylacetate sulfate3-hydroxyphenylacetatoylcarnitine3-hydroxyphenylacetoylglutamine3-hydroxypropanoate3-hydroxypyridine glucuronide3-hydroxypyridine sulfate3-hydroxysebacate3-hydroxysuberate3-indoleglyoxylic acid3-indoxyl sulfate3-methoxycatechol sulfate (1)3-methoxycatechol sulfate (2)3-methoxytyramine3-methoxytyramine sulfate3-methoxytyrosine3-methyl catechol sulfate (1)3-methyl catechol sulfate (2)3-methyl-2-oxobutyrate3-methyl-2-oxovalerate3-methyladipate3-methylcrotonylglycine3-methylcytidine3-methylglutaconate3-methylglutarate/2-methylglutarate3-methylglutarylcarnitine (2)3-methylhistidine3-methylurate*3-methylxanthine3-phosphoglycerate3-S-cysteinyl-2-methylpropanoate*3-sialyllactose3-ureidoisobutyrate3-ureidopropionate4-acetamidobenzoate4-acetamidobutanoate4-acetamidophenol4-acetamidophenylglucuronide4-acetaminophen sulfate4-acetylcatechol sulfate (1)4-acetylcatechol sulfate (2)4-acetylphenyl sulfate4-allylcatechol sulfate4-allylphenol sulfate4-ethylcatechol sulfate4-ethylphenol glucuronide4-ethylphenyl sulfate4-guanidinobutanoate4-hydroxybenzoate4-hydroxycatechol sulfate4-hydroxycinnamate4-hydroxycinnamate sulfate4-hydroxycoumarin4-hydroxyglutamate4-hydroxyhippurate4-hydroxymandelate4-hydroxyphenylacetate4-hydroxyphenylacetatoylcarnitine4-hydroxyphenylacetylglutamine4-hydroxyphenylpyruvate4'-hydroxypropiophenone sulfate4-imidazoleacetate4-methoxyphenol sulfate4-methyl-2-oxopentanoate4-methylcatechol sulfate4-methylguaiacol sulfate4-methylhexanoylglutamine4-methylhexanoylglycine4-octenedioate4-ureidobutyrate4-vinylguaiacol sulfate4-vinylphenol sulfate5-(galactosylhydroxy)-L-lysine5,6-dihydrothymine5,6-dihydrouracil5,6-dihydrouridine5-acetylamino-6-amino-3-methyluracil5-acetylamino-6-formylamino-3-methyluracil5alpha-androstan-3beta,17beta-diol disulfate5alpha-pregnan-3beta,20alpha-diol disulfate5alpha-pregnan-diol disulfate5-aminovalerate5-hydroxy-2-methylpyridine sulfate5-hydroxyhexanoate5-hydroxyindole sulfate5-hydroxyindoleacetate5-hydroxylysine5-hydroxymethyl-2-furoic acid5-hydroxymethyl-2-furoylcarnitine*5-methylthioadenosine (MTA)5-methylthioribose5-methyluridine (ribothymidine)5-oxoproline6-bromotryptophan6-hydroxyindole sulfate6-oxopiperidine-2-carboxylate6-sialyl-N-acetyllactosamine7,8-dihydroneopterin7-hydroxyindole sulfate7-ketodeoxycholate7-methylguanine7-methylguanosine7-methylurate7-methylxanthine8-methoxykynurenate9,10-DiHOMEabscisateacesulfameacetylagmatineacetylcarnitine (C2)acisogaadenineadenosineadenosine 3',5'-cyclic monophosphate (cAMP)adipateadipoylcarnitine (C6-DC)alanineallantoic acidallantoinalliinallo-isoleucineallo-threoninealpha-CEHC glucuronide*alpha-CEHC glycine*alpha-CEHC sulfatealpha-CEHC taurine*alpha-hydroxyisovaleratealpha-ketoglutaramate*alpha-ketoglutarateamoxicillinandro steroid monosulfate C19H28O6S (1)*androstenediol (3beta,17beta) disulfate (1)androstenediol (3beta,17beta) disulfate (2)androstenediol (3beta,17beta) monosulfate (1)androsterone glucuronideanserineanthranilatearabinosearabitol/xylitolarabonate/xylonateargininate*arginineargininosuccinateascorbate (Vitamin C)ascorbic acid 2-sulfateasmolasparagineaspartateatropineazelate (nonanedioate; C9)azeloylcarnitine (C9-DC)benzoatebenzoylcarnitine*beta-alaninebeta-citrylglutamatebeta-guanidinopropanoatebeta-hydroxyisovaleratebeta-hydroxyisovaleroylcarnitinebeta-hydroxypyruvatebetainebiopterinbutenoylcarnitine (C4:1)cadaverinecaffeic acid sulfatecaffeinecarboxyibuprofencarboxyibuprofen glucuronide*carnitinecarnosinecatechol glucuronidecatechol sulfatecephalexin cetirizineC-glycosyltryptophanchiro-inositolchlorogenatecholatecholinephosphocholineciliatine (2-aminoethylphosphonate)cimetidinecinnamoylglycineciprofloxacincis-urocanatecitraconate/glutaconatecitramalatecitratecitrullinecortisol 21-glucuronidecortisonecortolonecortolone glucuronide (1)cortolone glucuronide (2)cotininecotinine N-oxidecoumaroylquinate (1)coumaroylquinate (2)coumaroylquinate (3)coumaroylquinate (4)coumaroylquinate (5)creatinecreatininecyclo(gly-pro)cyclo(pro-hydroxypro)*cyclo(pro-sulfo-tyr)*cyclo(pro-tyr)cystathioninecysteinecysteine s-sulfatecysteine-glutathione disulfidecysteinylglycinecysteinylglycine disulfide*cystinecytidinecytosinedaidzeindaidzein 7-O-glucuronidedaidzein sulfate (1)daidzein sulfate (2)decanoylcarnitine (C10)dehydroascorbatedehydroepiandrosterone glucuronidedehydroepiandrosterone sulfate (DHEA-S)delta-CEHCdelta-CEHC glucuronide*delta-CEHC sulfatedeoxycarnitinedextromethorphandiacetylspermidine*diethylaminedihydrobiopterindihydrocaffeate sulfate (2)dihydroferulatedihydroferulic acid sulfatedihydroorotatediltiazemdimethyl sulfonedimethylarginine (ADMA + SDMA)dimethylglycinedimethylguanidino valeric acid (DMGV)*dimethylmalonic aciddiphenhydraminedopaminedopamine 3-O-sulfatedopamine 4-sulfateectoineenalaprilenalaprilat*enterolactoneepiandrosterone glucuronideepiandrosterone sulfateequol glucuronideequol sulfateergothioneineerythritolerythronate*ethyl alpha-glucopyranosideethyl glucuronideethyl maltol sulfateethylmalonateetiocholanolone glucuronideeugenol sulfatefamotidineferulateferulic acid 4-sulfateferuloylquinate (1)feruloylquinate (2)feruloylquinate (4)feruloylquinate (5)ferulylglycine (1)ferulylglycine (2)formiminoglutamatefructosefructosyllysinefucitolfumaratefuraneol sulfategalactonategamma-carboxyglutamategamma-CEHCgamma-CEHC glucuronide*gamma-CEHC glycine*gamma-CEHC sulfategamma-CEHC taurine*gamma-glutamyl-alpha-lysinegamma-glutamyl-epsilon-lysinegamma-glutamylglutaminegamma-glutamylglycinegamma-glutamylhistidinegamma-glutamylisoleucine*gamma-glutamylleucinegamma-glutamylphenylalaninegamma-glutamylthreoninegamma-glutamyltyrosinegamma-glutamylvalinegemfibrozilgenisteingenistein glucuronide*genistein sulfate*gentisategentisic acid-5-glucosideglucarate (saccharate)gluconateglucoseglucuronateglucuronide of C10H14O2 (1)*glucuronide of C10H14O2 (2)*glucuronide of C10H14O2 (4)*glucuronide of C10H18O2 (1)*glucuronide of C10H18O2 (10)*glucuronide of C10H18O2 (11)*glucuronide of C10H18O2 (12)*glucuronide of C10H18O2 (2)*glucuronide of C10H18O2 (3)*glucuronide of C10H18O2 (4)*glucuronide of C10H18O2 (7)*glucuronide of C10H18O2 (8)*glucuronide of C10H18O2 (9)*glucuronide of C12H20O3 (1)*glucuronide of C12H20O3 (2)*glucuronide of C12H20O3 (3)*glucuronide of C12H20O3 (4)*glucuronide of C12H20O3 (5)*glucuronide of C12H22O3 (1)*glucuronide of C12H22O4 (1)*glucuronide of C12H22O4 (2)*glucuronide of C14H22O4 (2)*glucuronide of C14H22O4 (3)*glucuronide of C14H26O4 (1)*glucuronide of C14H26O4 (2)*glucuronide of C16H30O4 (1)*glucuronide of C19H28O4 (1)*glucuronide of C8H14O2 (3)*glucuronide of C8H14O2 (4)*glucuronide of C8H14O2 (5)*glucuronide of C8H14O2 (6)*glucuronide of C8H16O2 (2)*glucuronide of C8H18O2 (1)*glucuronide of C8H18O2 (2)*glucuronide of C9H10O4 (1)*glucuronide of piperine metabolite C17H21NO3 (1)*glucuronide of piperine metabolite C17H21NO3 (2)*glucuronide of piperine metabolite C17H21NO3 (3)*glucuronide of piperine metabolite C17H21NO3 (4)*glucuronide of piperine metabolite C17H21NO3 (5)*glucuronide of piperine metabolite C17H21NO3 (6)*glutamateglutamineglutamine conjugate of C8H12O2 (1)*glutamine conjugate of C8H12O2 (2)*glutamine conjugate of C8H12O2 (3)*glutamine conjugate of C8H12O4 (1)*glutamine conjugate of C8H12O4 (2)*glutarate (C5-DC)glutaroylcarnitine (C5)glycerateglycerolglycerol 3-phosphateglycerophosphoethanolamineglycerophosphoglycerolglycerophosphoinositol*glycerophosphorylcholine (GPC)glycerophosphoserine*glycineglycine conjugate of C10H12O2*glycine conjugate of C10H14O2 (1)*glycine conjugate of C10H14O2 (2)*glycine conjugate of C9H16O2*glyciteinglycitein sulfate (2)glyco-beta-muricholateglycochenodeoxycholateglycochenodeoxycholate 3-sulfateglycochenodeoxycholate glucuronide (1)glycocholateglycocholate glucuronide (1)glycocholate sulfateglycocholenate sulfate*glycodeoxycholateglycodeoxycholate 3-sulfateglycohyocholateglycolate (hydroxyacetate)glycolithocholate sulfate*glycoursodeoxycholateguaiacol sulfateguanidinoacetateguanidinosuccinateguanineguanosineguanosine-3',5'-cyclic monophosphate (cGMP)gulonate*heptanoylglutamineheptenedioate (C7:1-DC)*hexanoylcarnitine (C6)hexanoylglutaminehexanoylglycine (C6)hexanoyltaurinehippuratehistaminehistidinehistidine betaine (hercynine)*homoargininehomocarnosinehomocitratehomocitrullinehomocystinehomoserine (homoserine lactone)homostachydrine*homovanillate (HVA)homovanillate sulfatehydantoin-5-propionatehydrochlorothiazidehydroquinone sulfatehydroxyasparaginehydroxycotininehydroxy-N6,N6,N6-trimethyllysine*hypotaurinehypoxanthineibuprofenibuprofen acyl glucuronideimidazole lactateimidazole propionateindole-3-carboxylateindoleacetateindoleacetoylcarnitine*indoleacetylglutamineindoleacetylglycineindolelactateindolepropionylglycineindolin-2-oneindomethacinindoxyl glucuronideinosineisobutyrylcarnitine (C4)isobutyrylglycine (C4)isocaproylglutamineisocaproylglycineisocitrateisocitric lactoneisoeugenol sulfateisoleucineisoleucylhydroxyproline*isoputreanineisovalerylcarnitine (C5)isovalerylglutamineisovalerylglycineisoxanthopterinI-urobilinogenkynurenatekynureninelactatelactoselanthioninelaurylcarnitine (C12)leucineleucylhydroxyproline*levulinate (4-oxovalerate)levulinoylcarnitinelidocainelinamarinlithocholate sulfate (1)L-urobilinlysinemalatemaleamatemaleatemalonatemalonylcarnitinemaltol sulfatemandelatemannitol/sorbitolmannonate*mannosemelaminemetforminmethioninemethionine sulfonemethionine sulfoxidemethyl indole-3-acetatemethyl-4-hydroxybenzoate sulfatemethylmalonate (MMA)methylsuccinatemethylsuccinoylcarnitinemethylureametoclopramidemetoprololmetoprolol acid metabolite*metronidazolem-tyraminem-tyramine sulfatemyristoleoylcarnitine (C14:1)*N-(2-furoyl)glycineN,N,N-trimethyl-5-aminovalerateN,N,N-trimethyl-alanylproline betaine (TMAP)N,N-dimethyl-5-aminovalerateN,N-dimethylalanineN1,N12-diacetylspermineN1-Methyl-2-pyridone-5-carboxamideN1-Methyl-4-pyridone-3-carboxamide1-methyladenosine1-methylguanosineN1-methylinosineN2,N2-dimethylguanineN2,N2-dimethylguanosineN2,N5-diacetylornithineN2,N6-diacetyllysineN2-acetyl,N6,N6-dimethyllysineN2-acetyl,N6-methyllysineN2-acetyllysineN2-methylguanosineN3-methyluridineN4-acetyl-5-hydroxysulfamethoxazole*N4-acetylcytidineN4-acetylsulfamethoxazole*N6,N6,N6-trimethyllysineN6,N6-dimethyllysineN6-acetyllysineN6-carbamoylthreonyladenosineN6-carboxyethyllysineN6-carboxymethyllysineN6-methyladenosineN6-methyllysineN6-succinyladenosineN-acetyl-1-methylhistidine*N-acetyl-2-aminooctanoate*N-acetyl-3-methylhistidine*N-acetylalanineN-acetylalliinN-acetylarginineN-acetylasparagineN-acetylaspartate (NAA)N-acetyl-aspartyl-glutamate (NAAG)N-acetyl-beta-alanineN-acetyl-cadaverineN-acetylcarnosineN-acetylcitrullineN-acetylcysteineN-acetylglucosamine conjugate of C24H38O4 bile acidN-acetylglucosamine conjugate of C24H40O4 bile acidN-acetylglucosamine/N-acetylgalactosamineN-acetylglucosaminylasparagineN-acetylglutamateN-acetylglutamineN-acetylglycineN-acetylhistamineN-acetylhistidineN-acetylhomocitrullineN-acetylisoleucineN-acetyl-isoputreanine*N-acetylkynurenine (2)N-acetylleucineN-acetylmethionineN-acetylmethionine sulfoxideN-acetylneuraminateN-acetylphenylalanineN-acetylprolineN-acetylputrescineN-acetylpyrralineN-acetyl-S-allyl-L-cysteineN-acetylserineN-acetyltaurineN-acetyltheanineN-acetylthreonineN-acetyltryptophanN-acetyltyrosineN-acetylvalineN-alpha-acetylornithinenaringenin 7-glucuronideN-carbamoylalanineN-carbamoylaspartateN-carbamoylvalineN-delta-acetylornithineneopterinN-ethylglycinexylidideN-formylanthranilic acidN-formylmethioninenicotinamidenicotinamide N-oxidenicotinamide ribosidenicotinate ribonucleosidenicotinenicotinurateN-methylalanineN-methyl-GABAN-methylglutamateN-methylhydantoinN-methylhydroxyprolineN-methylleucineN-methylpipecolateN-methylprolineN-methyltaurineN-octanoylglutamineN-octanoylglycinenonenedioate (C9:1-DC)*norcotininenornicotineo-cresol sulfateoctanoylcarnitine (C8)ofloxacinorcinol sulfateornithineorotateorotidineO-sulfo-L-tyrosineo-Tyrosineoxalate (ethanedioate)pantoatepantothenate (Vitamin B5)paraxanthinep-cresol glucuronide*p-cresol sulfatepentose acid*phenethylaminephenol glucuronidephenol sulfatephenolphthalein beta-D-glucuronidephenylacetylalaninephenylacetylaspartatephenylacetylcarnitinephenylacetylglutamatephenylacetylglutaminephenylacetylglycinephenylacetylhistidinephenylacetylmethioninephenylacetylphenylalaninephenylacetylserinephenylacetyltaurinephenylacetylthreoninephenylacetylvalinephenylalaninephenylalanylglycinephenylalanylhydroxyproline*phenyllactate (PLA)phenylpropanolaminephenylpropionylglycinephloroglucinol sulfatephosphatephosphoethanolamine (PE)picolinatepicolinoylglycinepimelate (C7-DC)pimeloylcarnitine/3-methyladipoylcarnitine (C7-DC)pipecolatepiperidinepivaloylcarnitine (C5)pregnanediol-3-glucuronidepregnen-diol disulfate*pregnenediol sulfate (C21H34O5S)*pregnenetriol disulfate*pregnenetriol sulfate*prolylhydroxyprolineprolineprolylglycinepropionylcarnitine (C3)propionylglycine (C3)propyl 4-hydroxybenzoate sulfatepseudoephedrinepseudouridinepterinpyridoxalpyridoxaminepyridoxatepyroglutamine*pyrralinepyruvatequinatequinolinateraffinoseranitidineranitidine N-oxide*resveratrol disulfate (1)*resveratrol disulfate (2)*resveratrol glucuronide (1)*resveratrol glucuronide (2)*resveratrol sulfate (1)*resveratrol sulfate (2)*ribitolriboflavin (Vitamin B2)ribonate (ribonolactone)ribulonate/xylulonate/lyxonate*S(2-carboxyethyl)mercapturic acidS-(3-hydroxypropyl)mercapturic acid (HPMA)S-1-pyrroline-5-carboxylatesaccharinsaccharopineS-adenosylhomocysteine (SAH)S-adenosylmethionine (SAM)salicylatesalicyluric glucuronide*S-allylcysteinesarcosineS-carboxymethyl-L-cysteinesebacate (C10-DC)sedoheptuloseserineserotoninS-methylcysteineS-methylcysteine sulfoxideS-methylmethioninespermidinesperminesphingosinestachydrinestachyosesuberate (C8-DC)suberoylcarnitine (C8-DC)succinatesuccinimidesuccinylcarnitine (C4)succinylglutaminesucrosesulfamethoxazolesulfate of piperine metabolite C15H17NO3 (1)*sulfate of piperine metabolite C15H17NO3 (2)*sulfate of piperine metabolite C16H17NO3 (1)*sulfate of piperine metabolite C16H19NO3 (2)*sulfate of piperine metabolite C16H19NO3 (3)*sulfate of piperine metabolite C16H19NO4 (2)*sulfate of piperine metabolite C16H19NO4 (3)*sulfate of piperine metabolite C16H19NO4 (4)*sulfate of piperine metabolite C18H21NO3 (1)*sulfate of piperine metabolite C18H21NO3 (2)*sulfate of piperine metabolite C18H21NO3 (3)*sulfate*sulfociprofloxacin*sulforaphane-N-acetyl-cysteinesyringic acidsyringol sulfatetartaratetaurinetauro-beta-muricholatetaurochenodeoxycholic acid 3-sulfatetaurocholenate sulfate*taurocyaminetaurodeoxycholic acid 3-sulfatetaurolithocholate 3-sulfatetetrahydrocortisoltetrahydrocortisonetheaninetheobrominetheophyllinethiamin (Vitamin B1)thioprolinethreonatethreoninethyminethymol sulfatetigloylglycinetiglyl carnitine (C5)trans-2-hexenoylglycinehydroxyprolinetrans-aconitatetrans-urocanatetriacetate lactonetricarballylatetrigonelline (N'-methylnicotinate)trimethylamine N-oxidetryptaminetryptophantryptophan betainetyraminetyramine O-sulfatetyrosineumbelliferoneumbelliferone sulfateuracilurateureauric acid ribonucleoside*uridineUrolithin AUrolithin Bursocholatevalinevalylleucinevanillactatevanillatevanillic alcohol sulfatevanillylmandelate (VMA)xanthinexanthopterinxanthosinexanthurenatexyloseX - 07765X - 10445X - 10457X - 10458X - 11261X - 11444X - 11470X - 11478X - 11491- retired for deoxycholic acid glucuronideX - 11612X - 11615X - 11640X - 11795X - 11843X - 11847X - 11849X - 11850X - 11852X - 11858X - 11861X - 11979X - 12007X - 12013X - 12015X - 12026X - 12027X - 12096X - 12097X - 12100X - 12101X - 12104X - 12111X - 12112X - 12117X - 12124X - 12125X - 12126X - 12127X - 12193X - 12199X - 12214X - 12216X - 12221X - 12261X - 12262X - 12267X - 12283X - 12306X - 12379X - 12407X - 12410X - 12411X - 12462X - 12472X - 12543X - 12680X - 12687X - 12689X - 12701X - 12704X - 12706X - 12707X - 12708X - 12712X - 12713X - 12714X - 12718X - 12721X - 12722X - 12726X - 12729X - 12730X - 12731X - 12738X - 12739X - 12740X - 12745X - 12753X - 12811X - 12812X - 12813X - 12815X - 12818X - 12821X - 12822X - 12830X - 12834X - 12839X - 12844X - 12847X - 12849X - 12906X - 13431X - 13507X - 13553X - 13684X - 13688X - 13689X - 13693X - 13695X - 13698X - 13723X - 13726X - 13728X - 13729X - 13835X - 13837X - 13838X - 13844X - 13846X - 13847X - 13866X - 13874X - 14056X - 14082X - 14662X - 14939X - 15136X - 15461X - 15469X - 15486X - 15492X - 15503X - 15523X - 15666X - 15728X - 15806X - 15807X - 16087X - 16124X - 16397X - 16570X - 16580X - 16649X - 16654X - 16938X - 17010X - 17162X - 17185X - 17300X - 17301X - 17304X - 17306X - 17323X - 17324X - 17325X - 17327X - 17328X - 17335X - 17337- retired for undecenoylcarnitine (C11:1)X - 17339X - 17340X - 17342X - 17343X - 17346X - 17348X - 17349X - 17351X - 17353X - 17354X - 17357X - 17358X - 17361X - 17365X - 17367X - 17398X - 17438X - 17612X - 17655X - 17673X - 17674X - 17675X - 17676X - 17679X - 17682X - 17685X - 17686X - 17688X - 17689X - 17690X - 17692X - 17699X - 17704X - 17707X - 17723X - 17733X - 17735X - 17763X - 17765X - 17842X - 18059X - 18126X - 18240X - 18345X - 18347X - 18410X - 18750X - 18779X - 18838X - 18886X - 18887X - 18888X - 18935X - 18945X - 19141X - 19183X - 19299X - 19763X - 19913X - 21258X - 21283X - 21285X - 21286X - 21295X - 21310X - 21312X - 21315X - 21364X - 21410X - 21441X - 21448X - 21467X - 21470X - 21661X - 21733X - 21736X - 21785X - 21787X - 21788X - 21792X - 21796X - 21798X - 21803X - 21807X - 21815X - 21821X - 21825X - 21827X - 21828X - 21829X - 21830X - 21831X - 21834X - 21838X - 21839X - 21840X - 21841X - 21842X - 21845X - 21851X - 22143X - 22148X - 22152X - 22162X - 22508X - 22509X - 22512X - 22519X - 22520X - 22587X - 22755X - 22757X - 22834X - 23034X - 23048X - 23157X - 23161X - 23240X - 23299X - 23304X - 23311X - 23314X - 23329X - 23331X - 23423X - 23429X - 23436X - 23438X - 23459X - 23461X - 23476X - 23481X - 23482X - 23502X - 23511X - 23517X - 23518X - 23581X - 23583X - 23587X - 23590X - 23593X - 23639X - 23641X - 23644X - 23647X - 23648X - 23653X - 23654X - 23655X - 23656X - 23657X - 23659X - 23662X - 23665X - 23666X - 23668X - 23672X - 23674X - 23678X - 23680X - 23710X - 23739X - 23748X - 23780X - 23787X - 23868X - 23890X - 23906X - 23908X - 23918X - 23970X - 24228X - 24246X - 24249X - 24270X - 24327X - 24328X - 24330X - 24332X - 24333X - 24334X - 24336X - 24337X - 24338X - 24339X - 24340X - 24341X - 24342X - 24343X - 24344X - 24345X - 24346X - 24347X - 24348X - 24349X - 24350X - 24352X - 24353X - 24354X - 24356X - 24357X - 24359X - 24361X - 24362X - 24363X - 24387X - 24400X - 24402X - 24403X - 24405X - 24406X - 24408X - 24410X - 24411X - 24412X - 24413X - 24414X - 24415X - 24418X - 24419X - 24421X - 24422X - 24431X - 24432X - 24440X - 24455X - 24456X - 24457X - 24468X - 24469X - 24473X - 24489X - 24493X - 24494X - 24495X - 24498X - 24515X - 24518X - 24519X - 24520X - 24522X - 24527X - 24530X - 24531X - 24540X - 24542X - 24543X - 24544X - 24546X - 24549X - 24556X - 24583X - 24586X - 24587X - 24588X - 24590X - 24591X - 24637X - 24645X - 24657X - 24680X - 24686X - 24699X - 24728X - 24736X - 24757X - 24761X - 24762X - 24763X - 24764X - 24767X - 24768X - 24794X - 24795X - 24796X - 24798X - 24799X - 24801X - 24807X - 24808X - 24810X - 24811X - 24812X - 24813X - 24947X - 24971X - 25003X - 25091X - 25109X - 25217X - 25219X - 25220X - 25242X - 25247X - 25271X - 25279X - 25345X - 25417X - 25419X - 25420X - 25422X - 25432X - 25435X - 25442X - 25454X - 25457X - 25464X - 25500X - 25511X - 25520X - 25523X - 25524X - 25525X - 25617X - 25656X - 25668X - 25785X - 25790X - 25793X - 25794X - 25797X - 25799X - 25800X - 25801X - 25802X - 25803X - 25804X - 25805X - 25806X - 25807X - 25809

    ScaledImpData (VAND-02-18ML+ CLIENT DATA TABLE 9.10.18)

    Sample_ID(2,4 or 2,5)-dimethylphenol sulfate(N(1) + N(8))-acetylspermidine(R)-3-hydroxybutyrylcarnitine(S)-3-hydroxybutyrylcarnitine(S)-a-amino-omega-caprolactam1,2,3-benzenetriol sulfate (1)1,2,3-benzenetriol sulfate (2)1,3,7-trimethylurate1,3-dimethylurate1,5-anhydroglucitol (1,5-AG)1,6-anhydroglucose1,7-dimethylurate11beta-hydroxyandrosterone glucuronide11-ketoetiocholanolone glucuronide11-ketoetiocholanolone sulfate12-dehydrocholate16a-hydroxy DHEA 3-sulfate17alpha-hydroxypregnanolone glucuronide1-carboxyethylisoleucine1-carboxyethylleucine1-carboxyethylphenylalanine1-carboxyethyltyrosine1-carboxyethylvaline1-methyl-4-imidazoleacetate1-methyl-5-imidazoleacetate1-methyladenine1-methyl-beta-carboline-3-carboxylic acid1-methylguanidine1-methylguanine1-methylhistamine1-methylhistidine1-methylhypoxanthine1-methylnicotinamide1-methylurate1-methylxanthine1-ribosyl-imidazoleacetate*2-(4-hydroxyphenyl)propionate2,3-dihydroxy-3-methylvalerate2,3-dihydroxy-5-methylthio-4-pentenoate (DMTPA)*2,3-dihydroxyisovalerate2,3-dihydroxypyridine2,3-dimethylphenol sulfate2,3-dimethylsuccinate2,4,6-trihydroxybenzoate2,4-dihydroxyhydrocinnamate2,6-dihydroxybenzoic acid2,6-dimethylphenol sulfate2,8-quinolinediol sulfate21-hydroxypregnenolone disulfate2-acetamidophenol sulfate2-aminoadipate2-aminoheptanoate2-aminooctanoate2-aminophenol sulfate2-butenoylglycine2'-deoxyadenosine2-dimethylaminoethanol2-ethylphenylsulfate2-furoylcarnitine2-hydroxy-3-methylvalerate2-hydroxyacetaminophen sulfate*2-hydroxyadipate2-hydroxybutyrate/2-hydroxyisobutyrate2-hydroxyglutarate2-hydroxyhippurate (salicylurate)2-hydroxyibuprofen2-hydroxyoctanoate2-hydroxyphenylacetate2-hydroxysebacate2-isopropylmalate2-keto-3-deoxy-gluconate2-ketogluconate2-methoxyacetaminophen glucuronide*2-methoxyacetaminophen sulfate*2-methoxyresorcinol sulfate2-methylbutyrylcarnitine (C5)2-methylbutyrylglycine (C5)2-methylcitrate2-methylhippurate2-methylmalonylcarnitine (C4-DC)2-methylserine2-octenoylglutamine2-octenoylglycine2'-O-methylcytidine2'-O-methyluridine2-oxindole-3-acetate2-oxo-1-pyrrolidinepropionate2-oxoadipate2-oxoarginine*2-piperidinone2R,3R-dihydroxybutyrate2S,3R-dihydroxybutyrate3-(3-amino-3-carboxypropyl)uridine*3-(3-hydroxyphenyl)propionate3-(3-hydroxyphenyl)propionate sulfate3-(4-hydroxyphenyl)lactate (HPLA)3-(cystein-S-yl)acetaminophen*3-(methylthio)acetaminophen sulfate*3-(N-acetyl-L-cystein-S-yl) acetaminophen3,4-dihydroxybutyrate3,4-dihydroxyphenylacetate3,4-dihydroxyphenylacetate sulfate3,4-methylene heptanoylglycine3,4-methyleneheptanoate3,4-methyleneheptanoylcarnitine3,5-dihydroxybenzoic acid3,7-dimethylurate3-acetylphenol3-acetylphenol sulfate3alpha,21-dihydroxy-5beta-pregnane-11,20-dione 21-glucuronide3-amino-2-piperidone3-aminoisobutyrate3'-a-sialyl-N-acetyllactosamine3-carboxy-4-methyl-5-pentyl-2-furanpropionate (3-CMPFP)3-carboxy-4-methyl-5-propyl-2-furanpropanoate (CMPF)3-ethylcatechol sulfate (1)3-ethylcatechol sulfate (2)3-formylindole3-heptenoylglutamine3-hydroxy-2-ethylpropionate3-hydroxy-2-methylpyridine sulfate3-hydroxy-3-methylglutarate3-hydroxy-4-methylpyridine sulfate3-hydroxyadipate*3-hydroxyanthranilate3-hydroxybenzoate3-hydroxybutyrate (BHBA)3-hydroxybutyroylglycine3-hydroxycinnamate3-hydroxycinnamate sulfate3-hydroxycotinine glucuronide3-hydroxydecanoylcarnitine3-hydroxydodecanedioate*3-hydroxyhexanoate3-hydroxyhexanoylcarnitine (1)3-hydroxyhexanoylcarnitine (2)3-hydroxyhippurate3-hydroxyhippurate sulfate3-hydroxyindolin-2-one3-hydroxyindolin-2-one sulfate3-hydroxyisobutyrate3-hydroxyisonicotinic acid3-hydroxykynurenine3-hydroxyphenylacetate3-hydroxyphenylacetate sulfate3-hydroxyphenylacetatoylcarnitine3-hydroxyphenylacetoylglutamine3-hydroxypropanoate3-hydroxypyridine glucuronide3-hydroxypyridine sulfate3-hydroxysebacate3-hydroxysuberate3-indoleglyoxylic acid3-indoxyl sulfate3-methoxycatechol sulfate (1)3-methoxycatechol sulfate (2)3-methoxytyramine3-methoxytyramine sulfate3-methoxytyrosine3-methyl catechol sulfate (1)3-methyl catechol sulfate (2)3-methyl-2-oxobutyrate3-methyl-2-oxovalerate3-methyladipate3-methylcrotonylglycine3-methylcytidine3-methylglutaconate3-methylglutarate/2-methylglutarate3-methylglutarylcarnitine (2)3-methylhistidine3-methylurate*3-methylxanthine3-phosphoglycerate3-S-cysteinyl-2-methylpropanoate*3-sialyllactose3-ureidoisobutyrate3-ureidopropionate4-acetamidobenzoate4-acetamidobutanoate4-acetamidophenol4-acetamidophenylglucuronide4-acetaminophen sulfate4-acetylcatechol sulfate (1)4-acetylcatechol sulfate (2)4-acetylphenyl sulfate4-allylcatechol sulfate4-allylphenol sulfate4-ethylcatechol sulfate4-ethylphenol glucuronide4-ethylphenyl sulfate4-guanidinobutanoate4-hydroxybenzoate4-hydroxycatechol sulfate4-hydroxycinnamate4-hydroxycinnamate sulfate4-hydroxycoumarin4-hydroxyglutamate4-hydroxyhippurate4-hydroxymandelate4-hydroxyphenylacetate4-hydroxyphenylacetatoylcarnitine4-hydroxyphenylacetylglutamine4-hydroxyphenylpyruvate4'-hydroxypropiophenone sulfate4-imidazoleacetate4-methoxyphenol sulfate4-methyl-2-oxopentanoate4-methylcatechol sulfate4-methylguaiacol sulfate4-methylhexanoylglutamine4-methylhexanoylglycine4-octenedioate4-ureidobutyrate4-vinylguaiacol sulfate4-vinylphenol sulfate5-(galactosylhydroxy)-L-lysine5,6-dihydrothymine5,6-dihydrouracil5,6-dihydrouridine5-acetylamino-6-amino-3-methyluracil5-acetylamino-6-formylamino-3-methyluracil5alpha-androstan-3beta,17beta-diol disulfate5alpha-pregnan-3beta,20alpha-diol disulfate5alpha-pregnan-diol disulfate5-aminovalerate5-hydroxy-2-methylpyridine sulfate5-hydroxyhexanoate5-hydroxyindole sulfate5-hydroxyindoleacetate5-hydroxylysine5-hydroxymethyl-2-furoic acid5-hydroxymethyl-2-furoylcarnitine*5-methylthioadenosine (MTA)5-methylthioribose5-methyluridine (ribothymidine)5-oxoproline6-bromotryptophan6-hydroxyindole sulfate6-oxopiperidine-2-carboxylate6-sialyl-N-acetyllactosamine7,8-dihydroneopterin7-hydroxyindole sulfate7-ketodeoxycholate7-methylguanine7-methylguanosine7-methylurate7-methylxanthine8-methoxykynurenate9,10-DiHOMEabscisateacesulfameacetylagmatineacetylcarnitine (C2)acisogaadenineadenosineadenosine 3',5'-cyclic monophosphate (cAMP)adipateadipoylcarnitine (C6-DC)alanineallantoic acidallantoinalliinallo-isoleucineallo-threoninealpha-CEHC glucuronide*alpha-CEHC glycine*alpha-CEHC sulfatealpha-CEHC taurine*alpha-hydroxyisovaleratealpha-ketoglutaramate*alpha-ketoglutarateamoxicillinandro steroid monosulfate C19H28O6S (1)*androstenediol (3beta,17beta) disulfate (1)androstenediol (3beta,17beta) disulfate (2)androstenediol (3beta,17beta) monosulfate (1)androsterone glucuronideanserineanthranilatearabinosearabitol/xylitolarabonate/xylonateargininate*arginineargininosuccinateascorbate (Vitamin C)ascorbic acid 2-sulfateasmolasparagineaspartateatropineazelate (nonanedioate; C9)azeloylcarnitine (C9-DC)benzoatebenzoylcarnitine*beta-alaninebeta-citrylglutamatebeta-guanidinopropanoatebeta-hydroxyisovaleratebeta-hydroxyisovaleroylcarnitinebeta-hydroxypyruvatebetainebiopterinbutenoylcarnitine (C4:1)cadaverinecaffeic acid sulfatecaffeinecarboxyibuprofencarboxyibuprofen glucuronide*carnitinecarnosinecatechol glucuronidecatechol sulfatecephalexin cetirizineC-glycosyltryptophanchiro-inositolchlorogenatecholatecholinephosphocholineciliatine (2-aminoethylphosphonate)cimetidinecinnamoylglycineciprofloxacincis-urocanatecitraconate/glutaconatecitramalatecitratecitrullinecortisol 21-glucuronidecortisonecortolonecortolone glucuronide (1)cortolone glucuronide (2)cotininecotinine N-oxidecoumaroylquinate (1)coumaroylquinate (2)coumaroylquinate (3)coumaroylquinate (4)coumaroylquinate (5)creatinecreatininecyclo(gly-pro)cyclo(pro-hydroxypro)*cyclo(pro-sulfo-tyr)*cyclo(pro-tyr)cystathioninecysteinecysteine s-sulfatecysteine-glutathione disulfidecysteinylglycinecysteinylglycine disulfide*cystinecytidinecytosinedaidzeindaidzein 7-O-glucuronidedaidzein sulfate (1)daidzein sulfate (2)decanoylcarnitine (C10)dehydroascorbatedehydroepiandrosterone glucuronidedehydroepiandrosterone sulfate (DHEA-S)delta-CEHCdelta-CEHC glucuronide*delta-CEHC sulfatedeoxycarnitinedextromethorphandiacetylspermidine*diethylaminedihydrobiopterindihydrocaffeate sulfate (2)dihydroferulatedihydroferulic acid sulfatedihydroorotatediltiazemdimethyl sulfonedimethylarginine (ADMA + SDMA)dimethylglycinedimethylguanidino valeric acid (DMGV)*dimethylmalonic aciddiphenhydraminedopaminedopamine 3-O-sulfatedopamine 4-sulfateectoineenalaprilenalaprilat*enterolactoneepiandrosterone glucuronideepiandrosterone sulfateequol glucuronideequol sulfateergothioneineerythritolerythronate*ethyl alpha-glucopyranosideethyl glucuronideethyl maltol sulfateethylmalonateetiocholanolone glucuronideeugenol sulfatefamotidineferulateferulic acid 4-sulfateferuloylquinate (1)feruloylquinate (2)feruloylquinate (4)feruloylquinate (5)ferulylglycine (1)ferulylglycine (2)formiminoglutamatefructosefructosyllysinefucitolfumaratefuraneol sulfategalactonategamma-carboxyglutamategamma-CEHCgamma-CEHC glucuronide*gamma-CEHC glycine*gamma-CEHC sulfategamma-CEHC taurine*gamma-glutamyl-alpha-lysinegamma-glutamyl-epsilon-lysinegamma-glutamylglutaminegamma-glutamylglycinegamma-glutamylhistidinegamma-glutamylisoleucine*gamma-glutamylleucinegamma-glutamylphenylalaninegamma-glutamylthreoninegamma-glutamyltyrosinegamma-glutamylvalinegemfibrozilgenisteingenistein glucuronide*genistein sulfate*gentisategentisic acid-5-glucosideglucarate (saccharate)gluconateglucoseglucuronateglucuronide of C10H14O2 (1)*glucuronide of C10H14O2 (2)*glucuronide of C10H14O2 (4)*glucuronide of C10H18O2 (1)*glucuronide of C10H18O2 (10)*glucuronide of C10H18O2 (11)*glucuronide of C10H18O2 (12)*glucuronide of C10H18O2 (2)*glucuronide of C10H18O2 (3)*glucuronide of C10H18O2 (4)*glucuronide of C10H18O2 (7)*glucuronide of C10H18O2 (8)*glucuronide of C10H18O2 (9)*glucuronide of C12H20O3 (1)*glucuronide of C12H20O3 (2)*glucuronide of C12H20O3 (3)*glucuronide of C12H20O3 (4)*glucuronide of C12H20O3 (5)*glucuronide of C12H22O3 (1)*glucuronide of C12H22O4 (1)*glucuronide of C12H22O4 (2)*glucuronide of C14H22O4 (2)*glucuronide of C14H22O4 (3)*glucuronide of C14H26O4 (1)*glucuronide of C14H26O4 (2)*glucuronide of C16H30O4 (1)*glucuronide of C19H28O4 (1)*glucuronide of C8H14O2 (3)*glucuronide of C8H14O2 (4)*glucuronide of C8H14O2 (5)*glucuronide of C8H14O2 (6)*glucuronide of C8H16O2 (2)*glucuronide of C8H18O2 (1)*glucuronide of C8H18O2 (2)*glucuronide of C9H10O4 (1)*glucuronide of piperine metabolite C17H21NO3 (1)*glucuronide of piperine metabolite C17H21NO3 (2)*glucuronide of piperine metabolite C17H21NO3 (3)*glucuronide of piperine metabolite C17H21NO3 (4)*glucuronide of piperine metabolite C17H21NO3 (5)*glucuronide of piperine metabolite C17H21NO3 (6)*glutamateglutamineglutamine conjugate of C8H12O2 (1)*glutamine conjugate of C8H12O2 (2)*glutamine conjugate of C8H12O2 (3)*glutamine conjugate of C8H12O4 (1)*glutamine conjugate of C8H12O4 (2)*glutarate (C5-DC)glutaroylcarnitine (C5)glycerateglycerolglycerol 3-phosphateglycerophosphoethanolamineglycerophosphoglycerolglycerophosphoinositol*glycerophosphorylcholine (GPC)glycerophosphoserine*glycineglycine conjugate of C10H12O2*glycine conjugate of C10H14O2 (1)*glycine conjugate of C10H14O2 (2)*glycine conjugate of C9H16O2*glyciteinglycitein sulfate (2)glyco-beta-muricholateglycochenodeoxycholateglycochenodeoxycholate 3-sulfateglycochenodeoxycholate glucuronide (1)glycocholateglycocholate glucuronide (1)glycocholate sulfateglycocholenate sulfate*glycodeoxycholateglycodeoxycholate 3-sulfateglycohyocholateglycolate (hydroxyacetate)glycolithocholate sulfate*glycoursodeoxycholateguaiacol sulfateguanidinoacetateguanidinosuccinateguanineguanosineguanosine-3',5'-cyclic monophosphate (cGMP)gulonate*heptanoylglutamineheptenedioate (C7:1-DC)*hexanoylcarnitine (C6)hexanoylglutaminehexanoylglycine (C6)hexanoyltaurinehippuratehistaminehistidinehistidine betaine (hercynine)*homoargininehomocarnosinehomocitratehomocitrullinehomocystinehomoserine (homoserine lactone)homostachydrine*homovanillate (HVA)homovanillate sulfatehydantoin-5-propionatehydrochlorothiazidehydroquinone sulfatehydroxyasparaginehydroxycotininehydroxy-N6,N6,N6-trimethyllysine*hypotaurinehypoxanthineibuprofenibuprofen acyl glucuronideimidazole lactateimidazole propionateindole-3-carboxylateindoleacetateindoleacetoylcarnitine*indoleacetylglutamineindoleacetylglycineindolelactateindolepropionylglycineindolin-2-oneindomethacinindoxyl glucuronideinosineisobutyrylcarnitine (C4)isobutyrylglycine (C4)isocaproylglutamineisocaproylglycineisocitrateisocitric lactoneisoeugenol sulfateisoleucineisoleucylhydroxyproline*isoputreanineisovalerylcarnitine (C5)isovalerylglutamineisovalerylglycineisoxanthopterinI-urobilinogenkynurenatekynureninelactatelactoselanthioninelaurylcarnitine (C12)leucineleucylhydroxyproline*levulinate (4-oxovalerate)levulinoylcarnitinelidocainelinamarinlithocholate sulfate (1)L-urobilinlysinemalatemaleamatemaleatemalonatemalonylcarnitinemaltol sulfatemandelatemannitol/sorbitolmannonate*mannosemelaminemetforminmethioninemethionine sulfonemethionine sulfoxidemethyl indole-3-acetatemethyl-4-hydroxybenzoate sulfatemethylmalonate (MMA)methylsuccinatemethylsuccinoylcarnitinemethylureametoclopramidemetoprololmetoprolol acid metabolite*metronidazolem-tyraminem-tyramine sulfatemyristoleoylcarnitine (C14:1)*N-(2-furoyl)glycineN,N,N-trimethyl-5-aminovalerateN,N,N-trimethyl-alanylproline betaine (TMAP)N,N-dimethyl-5-aminovalerateN,N-dimethylalanineN1,N12-diacetylspermineN1-Methyl-2-pyridone-5-carboxamideN1-Methyl-4-pyridone-3-carboxamide1-methyladenosine1-methylguanosineN1-methylinosineN2,N2-dimethylguanineN2,N2-dimethylguanosineN2,N5-diacetylornithineN2,N6-diacetyllysineN2-acetyl,N6,N6-dimethyllysineN2-acetyl,N6-methyllysineN2-acetyllysineN2-methylguanosineN3-methyluridineN4-acetyl-5-hydroxysulfamethoxazole*N4-acetylcytidineN4-acetylsulfamethoxazole*N6,N6,N6-trimethyllysineN6,N6-dimethyllysineN6-acetyllysineN6-carbamoylthreonyladenosineN6-carboxyethyllysineN6-carboxymethyllysineN6-methyladenosineN6-methyllysineN6-succinyladenosineN-acetyl-1-methylhistidine*N-acetyl-2-aminooctanoate*N-acetyl-3-methylhistidine*N-acetylalanineN-acetylalliinN-acetylarginineN-acetylasparagineN-acetylaspartate (NAA)N-acetyl-aspartyl-glutamate (NAAG)N-acetyl-beta-alanineN-acetyl-cadaverineN-acetylcarnosineN-acetylcitrullineN-acetylcysteineN-acetylglucosamine conjugate of C24H38O4 bile acidN-acetylglucosamine conjugate of C24H40O4 bile acidN-acetylglucosamine/N-acetylgalactosamineN-acetylglucosaminylasparagineN-acetylglutamateN-acetylglutamineN-acetylglycineN-acetylhistamineN-acetylhistidineN-acetylhomocitrullineN-acetylisoleucineN-acetyl-isoputreanine*N-acetylkynurenine (2)N-acetylleucineN-acetylmethionineN-acetylmethionine sulfoxideN-acetylneuraminateN-acetylphenylalanineN-acetylprolineN-acetylputrescineN-acetylpyrralineN-acetyl-S-allyl-L-cysteineN-acetylserineN-acetyltaurineN-acetyltheanineN-acetylthreonineN-acetyltryptophanN-acetyltyrosineN-acetylvalineN-alpha-acetylornithinenaringenin 7-glucuronideN-carbamoylalanineN-carbamoylaspartateN-carbamoylvalineN-delta-acetylornithineneopterinN-ethylglycinexylidideN-formylanthranilic acidN-formylmethioninenicotinamidenicotinamide N-oxidenicotinamide ribosidenicotinate ribonucleosidenicotinenicotinurateN-methylalanineN-methyl-GABAN-methylglutamateN-methylhydantoinN-methylhydroxyprolineN-methylleucineN-methylpipecolateN-methylprolineN-methyltaurineN-octanoylglutamineN-octanoylglycinenonenedioate (C9:1-DC)*norcotininenornicotineo-cresol sulfateoctanoylcarnitine (C8)ofloxacinorcinol sulfateornithineorotateorotidineO-sulfo-L-tyrosineo-Tyrosineoxalate (ethanedioate)pantoatepantothenate (Vitamin B5)paraxanthinep-cresol glucuronide*p-cresol sulfatepentose acid*phenethylaminephenol glucuronidephenol sulfatephenolphthalein beta-D-glucuronidephenylacetylalaninephenylacetylaspartatephenylacetylcarnitinephenylacetylglutamatephenylacetylglutaminephenylacetylglycinephenylacetylhistidinephenylacetylmethioninephenylacetylphenylalaninephenylacetylserinephenylacetyltaurinephenylacetylthreoninephenylacetylvalinephenylalaninephenylalanylglycinephenylalanylhydroxyproline*phenyllactate (PLA)phenylpropanolaminephenylpropionylglycinephloroglucinol sulfatephosphatephosphoethanolamine (PE)picolinatepicolinoylglycinepimelate (C7-DC)pimeloylcarnitine/3-methyladipoylcarnitine (C7-DC)pipecolatepiperidinepivaloylcarnitine (C5)pregnanediol-3-glucuronidepregnen-diol disulfate*pregnenediol sulfate (C21H34O5S)*pregnenetriol disulfate*pregnenetriol sulfate*prolylhydroxyprolineprolineprolylglycinepropionylcarnitine (C3)propionylglycine (C3)propyl 4-hydroxybenzoate sulfatepseudoephedrinepseudouridinepterinpyridoxalpyridoxaminepyridoxatepyroglutamine*pyrralinepyruvatequinatequinolinateraffinoseranitidineranitidine N-oxide*resveratrol disulfate (1)*resveratrol disulfate (2)*resveratrol glucuronide (1)*resveratrol glucuronide (2)*resveratrol sulfate (1)*resveratrol sulfate (2)*ribitolriboflavin (Vitamin B2)ribonate (ribonolactone)ribulonate/xylulonate/lyxonate*S(2-carboxyethyl)mercapturic acidS-(3-hydroxypropyl)mercapturic acid (HPMA)S-1-pyrroline-5-carboxylatesaccharinsaccharopineS-adenosylhomocysteine (SAH)S-adenosylmethionine (SAM)salicylatesalicyluric glucuronide*S-allylcysteinesarcosineS-carboxymethyl-L-cysteinesebacate (C10-DC)sedoheptuloseserineserotoninS-methylcysteineS-methylcysteine sulfoxideS-methylmethioninespermidinesperminesphingosinestachydrinestachyosesuberate (C8-DC)suberoylcarnitine (C8-DC)succinatesuccinimidesuccinylcarnitine (C4)succinylglutaminesucrosesulfamethoxazolesulfate of piperine metabolite C15H17NO3 (1)*sulfate of piperine metabolite C15H17NO3 (2)*sulfate of piperine metabolite C16H17NO3 (1)*sulfate of piperine metabolite C16H19NO3 (2)*sulfate of piperine metabolite C16H19NO3 (3)*sulfate of piperine metabolite C16H19NO4 (2)*sulfate of piperine metabolite C16H19NO4 (3)*sulfate of piperine metabolite C16H19NO4 (4)*sulfate of piperine metabolite C18H21NO3 (1)*sulfate of piperine metabolite C18H21NO3 (2)*sulfate of piperine metabolite C18H21NO3 (3)*sulfate*sulfociprofloxacin*sulforaphane-N-acetyl-cysteinesyringic acidsyringol sulfatetartaratetaurinetauro-beta-muricholatetaurochenodeoxycholic acid 3-sulfatetaurocholenate sulfate*taurocyaminetaurodeoxycholic acid 3-sulfatetaurolithocholate 3-sulfatetetrahydrocortisoltetrahydrocortisonetheaninetheobrominetheophyllinethiamin (Vitamin B1)thioprolinethreonatethreoninethyminethymol sulfatetigloylglycinetiglyl carnitine (C5)trans-2-hexenoylglycinehydroxyprolinetrans-aconitatetrans-urocanatetriacetate lactonetricarballylatetrigonelline (N'-methylnicotinate)trimethylamine N-oxidetryptaminetryptophantryptophan betainetyraminetyramine O-sulfatetyrosineumbelliferoneumbelliferone sulfateuracilurateureauric acid ribonucleoside*uridineUrolithin AUrolithin Bursocholatevalinevalylleucinevanillactatevanillatevanillic alcohol sulfatevanillylmandelate (VMA)xanthinexanthopterinxanthosinexanthurenatexyloseX - 07765X - 10445X - 10457X - 10458X - 11261X - 11444X - 11470X - 11478X - 11491- retired for deoxycholic acid glucuronideX - 11612X - 11615X - 11640X - 11795X - 11843X - 11847X - 11849X - 11850X - 11852X - 11858X - 11861X - 11979X - 12007X - 12013X - 12015X - 12026X - 12027X - 12096X - 12097X - 12100X - 12101X - 12104X - 12111X - 12112X - 12117X - 12124X - 12125X - 12126X - 12127X - 12193X - 12199X - 12214X - 12216X - 12221X - 12261X - 12262X - 12267X - 12283X - 12306X - 12379X - 12407X - 12410X - 12411X - 12462X - 12472X - 12543X - 12680X - 12687X - 12689X - 12701X - 12704X - 12706X - 12707X - 12708X - 12712X - 12713X - 12714X - 12718X - 12721X - 12722X - 12726X - 12729X - 12730X - 12731X - 12738X - 12739X - 12740X - 12745X - 12753X - 12811X - 12812X - 12813X - 12815X - 12818X - 12821X - 12822X - 12830X - 12834X - 12839X - 12844X - 12847X - 12849X - 12906X - 13431X - 13507X - 13553X - 13684X - 13688X - 13689X - 13693X - 13695X - 13698X - 13723X - 13726X - 13728X - 13729X - 13835X - 13837X - 13838X - 13844X - 13846X - 13847X - 13866X - 13874X - 14056X - 14082X - 14662X - 14939X - 15136X - 15461X - 15469X - 15486X - 15492X - 15503X - 15523X - 15666X - 15728X - 15806X - 15807X - 16087X - 16124X - 16397X - 16570X - 16580X - 16649X - 16654X - 16938X - 17010X - 17162X - 17185X - 17300X - 17301X - 17304X - 17306X - 17323X - 17324X - 17325X - 17327X - 17328X - 17335X - 17337- retired for undecenoylcarnitine (C11:1)X - 17339X - 17340X - 17342X - 17343X - 17346X - 17348X - 17349X - 17351X - 17353X - 17354X - 17357X - 17358X - 17361X - 17365X - 17367X - 17398X - 17438X - 17612X - 17655X - 17673X - 17674X - 17675X - 17676X - 17679X - 17682X - 17685X - 17686X - 17688X - 17689X - 17690X - 17692X - 17699X - 17704X - 17707X - 17723X - 17733X - 17735X - 17763X - 17765X - 17842X - 18059X - 18126X - 18240X - 18345X - 18347X - 18410X - 18750X - 18779X - 18838X - 18886X - 18887X - 18888X - 18935X - 18945X - 19141X - 19183X - 19299X - 19763X - 19913X - 21258X - 21283X - 21285X - 21286X - 21295X - 21310X - 21312X - 21315X - 21364X - 21410X - 21441X - 21448X - 21467X - 21470X - 21661X - 21733X - 21736X - 21785X - 21787X - 21788X - 21792X - 21796X - 21798X - 21803X - 21807X - 21815X - 21821X - 21825X - 21827X - 21828X - 21829X - 21830X - 21831X - 21834X - 21838X - 21839X - 21840X - 21841X - 21842X - 21845X - 21851X - 22143X - 22148X - 22152X - 22162X - 22508X - 22509X - 22512X - 22519X - 22520X - 22587X - 22755X - 22757X - 22834X - 23034X - 23048X - 23157X - 23161X - 23240X - 23299X - 23304X - 23311X - 23314X - 23329X - 23331X - 23423X - 23429X - 23436X - 23438X - 23459X - 23461X - 23476X - 23481X - 23482X - 23502X - 23511X - 23517X - 23518X - 23581X - 23583X - 23587X - 23590X - 23593X - 23639X - 23641X - 23644X - 23647X - 23648X - 23653X - 23654X - 23655X - 23656X - 23657X - 23659X - 23662X - 23665X - 23666X - 23668X - 23672X - 23674X - 23678X - 23680X - 23710X - 23739X - 23748X - 23780X - 23787X - 23868X - 23890X - 23906X - 23908X - 23918X - 23970X - 24228X - 24246X - 24249X - 24270X - 24327X - 24328X - 24330X - 24332X - 24333X - 24334X - 24336X - 24337X - 24338X - 24339X - 24340X - 24341X - 24342X - 24343X - 24344X - 24345X - 24346X - 24347X - 24348X - 24349X - 24350X - 24352X - 24353X - 24354X - 24356X - 24357X - 24359X - 24361X - 24362X - 24363X - 24387X - 24400X - 24402X - 24403X - 24405X - 24406X - 24408X - 24410X - 24411X - 24412X - 24413X - 24414X - 24415X - 24418X - 24419X - 24421X - 24422X - 24431X - 24432X - 24440X - 24455X - 24456X - 24457X - 24468X - 24469X - 24473X - 24489X - 24493X - 24494X - 24495X - 24498X - 24515X - 24518X - 24519X - 24520X - 24522X - 24527X - 24530X - 24531X - 24540X - 24542X - 24543X - 24544X - 24546X - 24549X - 24556X - 24583X - 24586X - 24587X - 24588X - 24590X - 24591X - 24637X - 24645X - 24657X - 24680X - 24686X - 24699X - 24728X - 24736X - 24757X - 24761X - 24762X - 24763X - 24764X - 24767X - 24768X - 24794X - 24795X - 24796X - 24798X - 24799X - 24801X - 24807X - 24808X - 24810X - 24811X - 24812X - 24813X - 24947X - 24971X - 25003X - 25091X - 25109X - 25217X - 25219X - 25220X - 25242X - 25247X - 25271X - 25279X - 25345X - 25417X - 25419X - 25420X - 25422X - 25432X - 25435X - 25442X - 25454X - 25457X - 25464X - 25500X - 25511X - 25520X - 25523X - 25524X - 25525X - 25617X - 25656X - 25668X - 25785X - 25790X - 25793X - 25794X - 25797X - 25799X - 25800X - 25801X - 25802X - 25803X - 25804X - 25805X - 25806X - 25807X - 25809

    VolNormImpData (VAND-02-18ML+ CLIENT DATA TABLE 9.10.18)

    Sample_ID(2,4 or 2,5)-dimethylphenol sulfate(N(1) + N(8))-acetylspermidine(R)-3-hydroxybutyrylcarnitine(S)-3-hydroxybutyrylcarnitine(S)-a-amino-omega-caprolactam1,2,3-benzenetriol sulfate (1)1,2,3-benzenetriol sulfate (2)1,3,7-trimethylurate1,3-dimethylurate1,5-anhydroglucitol (1,5-AG)1,6-anhydroglucose1,7-dimethylurate11beta-hydroxyandrosterone glucuronide11-ketoetiocholanolone glucuronide11-ketoetiocholanolone sulfate12-dehydrocholate16a-hydroxy DHEA 3-sulfate17alpha-hydroxypregnanolone glucuronide1-carboxyethylisoleucine1-carboxyethylleucine1-carboxyethylphenylalanine1-carboxyethyltyrosine1-carboxyethylvaline1-methyl-4-imidazoleacetate1-methyl-5-imidazoleacetate1-methyladenine1-methyl-beta-carboline-3-carboxylic acid1-methylguanidine1-methylguanine1-methylhistamine1-methylhistidine1-methylhypoxanthine1-methylnicotinamide1-methylurate1-methylxanthine1-ribosyl-imidazoleacetate*2-(4-hydroxyphenyl)propionate2,3-dihydroxy-3-methylvalerate2,3-dihydroxy-5-methylthio-4-pentenoate (DMTPA)*2,3-dihydroxyisovalerate2,3-dihydroxypyridine2,3-dimethylphenol sulfate2,3-dimethylsuccinate2,4,6-trihydroxybenzoate2,4-dihydroxyhydrocinnamate2,6-dihydroxybenzoic acid2,6-dimethylphenol sulfate2,8-quinolinediol sulfate21-hydroxypregnenolone disulfate2-acetamidophenol sulfate2-aminoadipate2-aminoheptanoate2-aminooctanoate2-aminophenol sulfate2-butenoylglycine2'-deoxyadenosine2-dimethylaminoethanol2-ethylphenylsulfate2-furoylcarnitine2-hydroxy-3-methylvalerate2-hydroxyacetaminophen sulfate*2-hydroxyadipate2-hydroxybutyrate/2-hydroxyisobutyrate2-hydroxyglutarate2-hydroxyhippurate (salicylurate)2-hydroxyibuprofen2-hydroxyoctanoate2-hydroxyphenylacetate2-hydroxysebacate2-isopropylmalate2-keto-3-deoxy-gluconate2-ketogluconate2-methoxyacetaminophen glucuronide*2-methoxyacetaminophen sulfate*2-methoxyresorcinol sulfate2-methylbutyrylcarnitine (C5)2-methylbutyrylglycine (C5)2-methylcitrate2-methylhippurate2-methylmalonylcarnitine (C4-DC)2-methylserine2-octenoylglutamine2-octenoylglycine2'-O-methylcytidine2'-O-methyluridine2-oxindole-3-acetate2-oxo-1-pyrrolidinepropionate2-oxoadipate2-oxoarginine*2-piperidinone2R,3R-dihydroxybutyrate2S,3R-dihydroxybutyrate3-(3-amino-3-carboxypropyl)uridine*3-(3-hydroxyphenyl)propionate3-(3-hydroxyphenyl)propionate sulfate3-(4-hydroxyphenyl)lactate (HPLA)3-(cystein-S-yl)acetaminophen*3-(methylthio)acetaminophen sulfate*3-(N-acetyl-L-cystein-S-yl) acetaminophen3,4-dihydroxybutyrate3,4-dihydroxyphenylacetate3,4-dihydroxyphenylacetate sulfate3,4-methylene heptanoylglycine3,4-methyleneheptanoate3,4-methyleneheptanoylcarnitine3,5-dihydroxybenzoic acid3,7-dimethylurate3-acetylphenol3-acetylphenol sulfate3alpha,21-dihydroxy-5beta-pregnane-11,20-dione 21-glucuronide3-amino-2-piperidone3-aminoisobutyrate3'-a-sialyl-N-acetyllactosamine3-carboxy-4-methyl-5-pentyl-2-furanpropionate (3-CMPFP)3-carboxy-4-methyl-5-propyl-2-furanpropanoate (CMPF)3-ethylcatechol sulfate (1)3-ethylcatechol sulfate (2)3-formylindole3-heptenoylglutamine3-hydroxy-2-ethylpropionate3-hydroxy-2-methylpyridine sulfate3-hydroxy-3-methylglutarate3-hydroxy-4-methylpyridine sulfate3-hydroxyadipate*3-hydroxyanthranilate3-hydroxybenzoate3-hydroxybutyrate (BHBA)3-hydroxybutyroylglycine3-hydroxycinnamate3-hydroxycinnamate sulfate3-hydroxycotinine glucuronide3-hydroxydecanoylcarnitine3-hydroxydodecanedioate*3-hydroxyhexanoate3-hydroxyhexanoylcarnitine (1)3-hydroxyhexanoylcarnitine (2)3-hydroxyhippurate3-hydroxyhippurate sulfate3-hydroxyindolin-2-one3-hydroxyindolin-2-one sulfate3-hydroxyisobutyrate3-hydroxyisonicotinic acid3-hydroxykynurenine3-hydroxyphenylacetate3-hydroxyphenylacetate sulfate3-hydroxyphenylacetatoylcarnitine3-hydroxyphenylacetoylglutamine3-hydroxypropanoate3-hydroxypyridine glucuronide3-hydroxypyridine sulfate3-hydroxysebacate3-hydroxysuberate3-indoleglyoxylic acid3-indoxyl sulfate3-methoxycatechol sulfate (1)3-methoxycatechol sulfate (2)3-methoxytyramine3-methoxytyramine sulfate3-methoxytyrosine3-methyl catechol sulfate (1)3-methyl catechol sulfate (2)3-methyl-2-oxobutyrate3-methyl-2-oxovalerate3-methyladipate3-methylcrotonylglycine3-methylcytidine3-methylglutaconate3-methylglutarate/2-methylglutarate3-methylglutarylcarnitine (2)3-methylhistidine3-methylurate*3-methylxanthine3-phosphoglycerate3-S-cysteinyl-2-methylpropanoate*3-sialyllactose3-ureidoisobutyrate3-ureidopropionate4-acetamidobenzoate4-acetamidobutanoate4-acetamidophenol4-acetamidophenylglucuronide4-acetaminophen sulfate4-acetylcatechol sulfate (1)4-acetylcatechol sulfate (2)4-acetylphenyl sulfate4-allylcatechol sulfate4-allylphenol sulfate4-ethylcatechol sulfate4-ethylphenol glucuronide4-ethylphenyl sulfate4-guanidinobutanoate4-hydroxybenzoate4-hydroxycatechol sulfate4-hydroxycinnamate4-hydroxycinnamate sulfate4-hydroxycoumarin4-hydroxyglutamate4-hydroxyhippurate4-hydroxymandelate4-hydroxyphenylacetate4-hydroxyphenylacetatoylcarnitine4-hydroxyphenylacetylglutamine4-hydroxyphenylpyruvate4'-hydroxypropiophenone sulfate4-imidazoleacetate4-methoxyphenol sulfate4-methyl-2-oxopentanoate4-methylcatechol sulfate4-methylguaiacol sulfate4-methylhexanoylglutamine4-methylhexanoylglycine4-octenedioate4-ureidobutyrate4-vinylguaiacol sulfate4-vinylphenol sulfate5-(galactosylhydroxy)-L-lysine5,6-dihydrothymine5,6-dihydrouracil5,6-dihydrouridine5-acetylamino-6-amino-3-methyluracil5-acetylamino-6-formylamino-3-methyluracil5alpha-androstan-3beta,17beta-diol disulfate5alpha-pregnan-3beta,20alpha-diol disulfate5alpha-pregnan-diol disulfate5-aminovalerate5-hydroxy-2-methylpyridine sulfate5-hydroxyhexanoate5-hydroxyindole sulfate5-hydroxyindoleacetate5-hydroxylysine5-hydroxymethyl-2-furoic acid5-hydroxymethyl-2-furoylcarnitine*5-methylthioadenosine (MTA)5-methylthioribose5-methyluridine (ribothymidine)5-oxoproline6-bromotryptophan6-hydroxyindole sulfate6-oxopiperidine-2-carboxylate6-sialyl-N-acetyllactosamine7,8-dihydroneopterin7-hydroxyindole sulfate7-ketodeoxycholate7-methylguanine7-methylguanosine7-methylurate7-methylxanthine8-methoxykynurenate9,10-DiHOMEabscisateacesulfameacetylagmatineacetylcarnitine (C2)acisogaadenineadenosineadenosine 3',5'-cyclic monophosphate (cAMP)adipateadipoylcarnitine (C6-DC)alanineallantoic acidallantoinalliinallo-isoleucineallo-threoninealpha-CEHC glucuronide*alpha-CEHC glycine*alpha-CEHC sulfatealpha-CEHC taurine*alpha-hydroxyisovaleratealpha-ketoglutaramate*alpha-ketoglutarateamoxicillinandro steroid monosulfate C19H28O6S (1)*androstenediol (3beta,17beta) disulfate (1)androstenediol (3beta,17beta) disulfate (2)androstenediol (3beta,17beta) monosulfate (1)androsterone glucuronideanserineanthranilatearabinosearabitol/xylitolarabonate/xylonateargininate*arginineargininosuccinateascorbate (Vitamin C)ascorbic acid 2-sulfateasmolasparagineaspartateatropineazelate (nonanedioate; C9)azeloylcarnitine (C9-DC)benzoatebenzoylcarnitine*beta-alaninebeta-citrylglutamatebeta-guanidinopropanoatebeta-hydroxyisovaleratebeta-hydroxyisovaleroylcarnitinebeta-hydroxypyruvatebetainebiopterinbutenoylcarnitine (C4:1)cadaverinecaffeic acid sulfatecaffeinecarboxyibuprofencarboxyibuprofen glucuronide*carnitinecarnosinecatechol glucuronidecatechol sulfatecephalexin cetirizineC-glycosyltryptophanchiro-inositolchlorogenatecholatecholinephosphocholineciliatine (2-aminoethylphosphonate)cimetidinecinnamoylglycineciprofloxacincis-urocanatecitraconate/glutaconatecitramalatecitratecitrullinecortisol 21-glucuronidecortisonecortolonecortolone glucuronide (1)cortolone glucuronide (2)cotininecotinine N-oxidecoumaroylquinate (1)coumaroylquinate (2)coumaroylquinate (3)coumaroylquinate (4)coumaroylquinate (5)creatinecreatininecyclo(gly-pro)cyclo(pro-hydroxypro)*cyclo(pro-sulfo-tyr)*cyclo(pro-tyr)cystathioninecysteinecysteine s-sulfatecysteine-glutathione disulfidecysteinylglycinecysteinylglycine disulfide*cystinecytidinecytosinedaidzeindaidzein 7-O-glucuronidedaidzein sulfate (1)daidzein sulfate (2)decanoylcarnitine (C10)dehydroascorbatedehydroepiandrosterone glucuronidedehydroepiandrosterone sulfate (DHEA-S)delta-CEHCdelta-CEHC glucuronide*delta-CEHC sulfatedeoxycarnitinedextromethorphandiacetylspermidine*diethylaminedihydrobiopterindihydrocaffeate sulfate (2)dihydroferulatedihydroferulic acid sulfatedihydroorotatediltiazemdimethyl sulfonedimethylarginine (ADMA + SDMA)dimethylglycinedimethylguanidino valeric acid (DMGV)*dimethylmalonic aciddiphenhydraminedopaminedopamine 3-O-sulfatedopamine 4-sulfateectoineenalaprilenalaprilat*enterolactoneepiandrosterone glucuronideepiandrosterone sulfateequol glucuronideequol sulfateergothioneineerythritolerythronate*ethyl alpha-glucopyranosideethyl glucuronideethyl maltol sulfateethylmalonateetiocholanolone glucuronideeugenol sulfatefamotidineferulateferulic acid 4-sulfateferuloylquinate (1)feruloylquinate (2)feruloylquinate (4)feruloylquinate (5)ferulylglycine (1)ferulylglycine (2)formiminoglutamatefructosefructosyllysinefucitolfumaratefuraneol sulfategalactonategamma-carboxyglutamategamma-CEHCgamma-CEHC glucuronide*gamma-CEHC glycine*gamma-CEHC sulfategamma-CEHC taurine*gamma-glutamyl-alpha-lysinegamma-glutamyl-epsilon-lysinegamma-glutamylglutaminegamma-glutamylglycinegamma-glutamylhistidinegamma-glutamylisoleucine*gamma-glutamylleucinegamma-glutamylphenylalaninegamma-glutamylthreoninegamma-glutamyltyrosinegamma-glutamylvalinegemfibrozilgenisteingenistein glucuronide*genistein sulfate*gentisategentisic acid-5-glucosideglucarate (saccharate)gluconateglucoseglucuronateglucuronide of C10H14O2 (1)*glucuronide of C10H14O2 (2)*glucuronide of C10H14O2 (4)*glucuronide of C10H18O2 (1)*glucuronide of C10H18O2 (10)*glucuronide of C10H18O2 (11)*glucuronide of C10H18O2 (12)*glucuronide of C10H18O2 (2)*glucuronide of C10H18O2 (3)*glucuronide of C10H18O2 (4)*glucuronide of C10H18O2 (7)*glucuronide of C10H18O2 (8)*glucuronide of C10H18O2 (9)*glucuronide of C12H20O3 (1)*glucuronide of C12H20O3 (2)*glucuronide of C12H20O3 (3)*glucuronide of C12H20O3 (4)*glucuronide of C12H20O3 (5)*glucuronide of C12H22O3 (1)*glucuronide of C12H22O4 (1)*glucuronide of C12H22O4 (2)*glucuronide of C14H22O4 (2)*glucuronide of C14H22O4 (3)*glucuronide of C14H26O4 (1)*glucuronide of C14H26O4 (2)*glucuronide of C16H30O4 (1)*glucuronide of C19H28O4 (1)*glucuronide of C8H14O2 (3)*glucuronide of C8H14O2 (4)*glucuronide of C8H14O2 (5)*glucuronide of C8H14O2 (6)*glucuronide of C8H16O2 (2)*glucuronide of C8H18O2 (1)*glucuronide of C8H18O2 (2)*glucuronide of C9H10O4 (1)*glucuronide of piperine metabolite C17H21NO3 (1)*glucuronide of piperine metabolite C17H21NO3 (2)*glucuronide of piperine metabolite C17H21NO3 (3)*glucuronide of piperine metabolite C17H21NO3 (4)*glucuronide of piperine metabolite C17H21NO3 (5)*glucuronide of piperine metabolite C17H21NO3 (6)*glutamateglutamineglutamine conjugate of C8H12O2 (1)*glutamine conjugate of C8H12O2 (2)*glutamine conjugate of C8H12O2 (3)*glutamine conjugate of C8H12O4 (1)*glutamine conjugate of C8H12O4 (2)*glutarate (C5-DC)glutaroylcarnitine (C5)glycerateglycerolglycerol 3-phosphateglycerophosphoethanolamineglycerophosphoglycerolglycerophosphoinositol*glycerophosphorylcholine (GPC)glycerophosphoserine*glycineglycine conjugate of C10H12O2*glycine conjugate of C10H14O2 (1)*glycine conjugate of C10H14O2 (2)*glycine conjugate of C9H16O2*glyciteinglycitein sulfate (2)glyco-beta-muricholateglycochenodeoxycholateglycochenodeoxycholate 3-sulfateglycochenodeoxycholate glucuronide (1)glycocholateglycocholate glucuronide (1)glycocholate sulfateglycocholenate sulfate*glycodeoxycholateglycodeoxycholate 3-sulfateglycohyocholateglycolate (hydroxyacetate)glycolithocholate sulfate*glycoursodeoxycholateguaiacol sulfateguanidinoacetateguanidinosuccinateguanineguanosineguanosine-3',5'-cyclic monophosphate (cGMP)gulonate*heptanoylglutamineheptenedioate (C7:1-DC)*hexanoylcarnitine (C6)hexanoylglutaminehexanoylglycine (C6)hexanoyltaurinehippuratehistaminehistidinehistidine betaine (hercynine)*homoargininehomocarnosinehomocitratehomocitrullinehomocystinehomoserine (homoserine lactone)homostachydrine*homovanillate (HVA)homovanillate sulfatehydantoin-5-propionatehydrochlorothiazidehydroquinone sulfatehydroxyasparaginehydroxycotininehydroxy-N6,N6,N6-trimethyllysine*hypotaurinehypoxanthineibuprofenibuprofen acyl glucuronideimidazole lactateimidazole propionateindole-3-carboxylateindoleacetateindoleacetoylcarnitine*indoleacetylglutamineindoleacetylglycineindolelactateindolepropionylglycineindolin-2-oneindomethacinindoxyl glucuronideinosineisobutyrylcarnitine (C4)isobutyrylglycine (C4)isocaproylglutamineisocaproylglycineisocitrateisocitric lactoneisoeugenol sulfateisoleucineisoleucylhydroxyproline*isoputreanineisovalerylcarnitine (C5)isovalerylglutamineisovalerylglycineisoxanthopterinI-urobilinogenkynurenatekynureninelactatelactoselanthioninelaurylcarnitine (C12)leucineleucylhydroxyproline*levulinate (4-oxovalerate)levulinoylcarnitinelidocainelinamarinlithocholate sulfate (1)L-urobilinlysinemalatemaleamatemaleatemalonatemalonylcarnitinemaltol sulfatemandelatemannitol/sorbitolmannonate*mannosemelaminemetforminmethioninemethionine sulfonemethionine sulfoxidemethyl indole-3-acetatemethyl-4-hydroxybenzoate sulfatemethylmalonate (MMA)methylsuccinatemethylsuccinoylcarnitinemethylureametoclopramidemetoprololmetoprolol acid metabolite*metronidazolem-tyraminem-tyramine sulfatemyristoleoylcarnitine (C14:1)*N-(2-furoyl)glycineN,N,N-trimethyl-5-aminovalerateN,N,N-trimethyl-alanylproline betaine (TMAP)N,N-dimethyl-5-aminovalerateN,N-dimethylalanineN1,N12-diacetylspermineN1-Methyl-2-pyridone-5-carboxamideN1-Methyl-4-pyridone-3-carboxamide1-methyladenosine1-methylguanosineN1-methylinosineN2,N2-dimethylguanineN2,N2-dimethylguanosineN2,N5-diacetylornithineN2,N6-diacetyllysineN2-acetyl,N6,N6-dimethyllysineN2-acetyl,N6-methyllysineN2-acetyllysineN2-methylguanosineN3-methyluridineN4-acetyl-5-hydroxysulfamethoxazole*N4-acetylcytidineN4-acetylsulfamethoxazole*N6,N6,N6-trimethyllysineN6,N6-dimethyllysineN6-acetyllysineN6-carbamoylthreonyladenosineN6-carboxyethyllysineN6-carboxymethyllysineN6-methyladenosineN6-methyllysineN6-succinyladenosineN-acetyl-1-methylhistidine*N-acetyl-2-aminooctanoate*N-acetyl-3-methylhistidine*N-acetylalanineN-acetylalliinN-acetylarginineN-acetylasparagineN-acetylaspartate (NAA)N-acetyl-aspartyl-glutamate (NAAG)N-acetyl-beta-alanineN-acetyl-cadaverineN-acetylcarnosineN-acetylcitrullineN-acetylcysteineN-acetylglucosamine conjugate of C24H38O4 bile acidN-acetylglucosamine conjugate of C24H40O4 bile acidN-acetylglucosamine/N-acetylgalactosamineN-acetylglucosaminylasparagineN-acetylglutamateN-acetylglutamineN-acetylglycineN-acetylhistamineN-acetylhistidineN-acetylhomocitrullineN-acetylisoleucineN-acetyl-isoputreanine*N-acetylkynurenine (2)N-acetylleucineN-acetylmethionineN-acetylmethionine sulfoxideN-acetylneuraminateN-acetylphenylalanineN-acetylprolineN-acetylputrescineN-acetylpyrralineN-acetyl-S-allyl-L-cysteineN-acetylserineN-acetyltaurineN-acetyltheanineN-acetylthreonineN-acetyltryptophanN-acetyltyrosineN-acetylvalineN-alpha-acetylornithinenaringenin 7-glucuronideN-carbamoylalanineN-carbamoylaspartateN-carbamoylvalineN-delta-acetylornithineneopterinN-ethylglycinexylidideN-formylanthranilic acidN-formylmethioninenicotinamidenicotinamide N-oxidenicotinamide ribosidenicotinate ribonucleosidenicotinenicotinurateN-methylalanineN-methyl-GABAN-methylglutamateN-methylhydantoinN-methylhydroxyprolineN-methylleucineN-methylpipecolateN-methylprolineN-methyltaurineN-octanoylglutamineN-octanoylglycinenonenedioate (C9:1-DC)*norcotininenornicotineo-cresol sulfateoctanoylcarnitine (C8)ofloxacinorcinol sulfateornithineorotateorotidineO-sulfo-L-tyrosineo-Tyrosineoxalate (ethanedioate)pantoatepantothenate (Vitamin B5)paraxanthinep-cresol glucuronide*p-cresol sulfatepentose acid*phenethylaminephenol glucuronidephenol sulfatephenolphthalein beta-D-glucuronidephenylacetylalaninephenylacetylaspartatephenylacetylcarnitinephenylacetylglutamatephenylacetylglutaminephenylacetylglycinephenylacetylhistidinephenylacetylmethioninephenylacetylphenylalaninephenylacetylserinephenylacetyltaurinephenylacetylthreoninephenylacetylvalinephenylalaninephenylalanylglycinephenylalanylhydroxyproline*phenyllactate (PLA)phenylpropanolaminephenylpropionylglycinephloroglucinol sulfatephosphatephosphoethanolamine (PE)picolinatepicolinoylglycinepimelate (C7-DC)pimeloylcarnitine/3-methyladipoylcarnitine (C7-DC)pipecolatepiperidinepivaloylcarnitine (C5)pregnanediol-3-glucuronidepregnen-diol disulfate*pregnenediol sulfate (C21H34O5S)*pregnenetriol disulfate*pregnenetriol sulfate*prolylhydroxyprolineprolineprolylglycinepropionylcarnitine (C3)propionylglycine (C3)propyl 4-hydroxybenzoate sulfatepseudoephedrinepseudouridinepterinpyridoxalpyridoxaminepyridoxatepyroglutamine*pyrralinepyruvatequinatequinolinateraffinoseranitidineranitidine N-oxide*resveratrol disulfate (1)*resveratrol disulfate (2)*resveratrol glucuronide (1)*resveratrol glucuronide (2)*resveratrol sulfate (1)*resveratrol sulfate (2)*ribitolriboflavin (Vitamin B2)ribonate (ribonolactone)ribulonate/xylulonate/lyxonate*S(2-carboxyethyl)mercapturic acidS-(3-hydroxypropyl)mercapturic acid (HPMA)S-1-pyrroline-5-carboxylatesaccharinsaccharopineS-adenosylhomocysteine (SAH)S-adenosylmethionine (SAM)salicylatesalicyluric glucuronide*S-allylcysteinesarcosineS-carboxymethyl-L-cysteinesebacate (C10-DC)sedoheptuloseserineserotoninS-methylcysteineS-methylcysteine sulfoxideS-methylmethioninespermidinesperminesphingosinestachydrinestachyosesuberate (C8-DC)suberoylcarnitine (C8-DC)succinatesuccinimidesuccinylcarnitine (C4)succinylglutaminesucrosesulfamethoxazolesulfate of piperine metabolite C15H17NO3 (1)*sulfate of piperine metabolite C15H17NO3 (2)*sulfate of piperine metabolite C16H17NO3 (1)*sulfate of piperine metabolite C16H19NO3 (2)*sulfate of piperine metabolite C16H19NO3 (3)*sulfate of piperine metabolite C16H19NO4 (2)*sulfate of piperine metabolite C16H19NO4 (3)*sulfate of piperine metabolite C16H19NO4 (4)*sulfate of piperine metabolite C18H21NO3 (1)*sulfate of piperine metabolite C18H21NO3 (2)*sulfate of piperine metabolite C18H21NO3 (3)*sulfate*sulfociprofloxacin*sulforaphane-N-acetyl-cysteinesyringic acidsyringol sulfatetartaratetaurinetauro-beta-muricholatetaurochenodeoxycholic acid 3-sulfatetaurocholenate sulfate*taurocyaminetaurodeoxycholic acid 3-sulfatetaurolithocholate 3-sulfatetetrahydrocortisoltetrahydrocortisonetheaninetheobrominetheophyllinethiamin (Vitamin B1)thioprolinethreonatethreoninethyminethymol sulfatetigloylglycinetiglyl carnitine (C5)trans-2-hexenoylglycinehydroxyprolinetrans-aconitatetrans-urocanatetriacetate lactonetricarballylatetrigonelline (N'-methylnicotinate)trimethylamine N-oxidetryptaminetryptophantryptophan betainetyraminetyramine O-sulfatetyrosineumbelliferoneumbelliferone sulfateuracilurateureauric acid ribonucleoside*uridineUrolithin AUrolithin Bursocholatevalinevalylleucinevanillactatevanillatevanillic alcohol sulfatevanillylmandelate (VMA)xanthinexanthopterinxanthosinexanthurenatexyloseX - 07765X - 10445X - 10457X - 10458X - 11261X - 11444X - 11470X - 11478X - 11491- retired for deoxycholic acid glucuronideX - 11612X - 11615X - 11640X - 11795X - 11843X - 11847X - 11849X - 11850X - 11852X - 11858X - 11861X - 11979X - 12007X - 12013X - 12015X - 12026X - 12027X - 12096X - 12097X - 12100X - 12101X - 12104X - 12111X - 12112X - 12117X - 12124X - 12125X - 12126X - 12127X - 12193X - 12199X - 12214X - 12216X - 12221X - 12261X - 12262X - 12267X - 12283X - 12306X - 12379X - 12407X - 12410X - 12411X - 12462X - 12472X - 12543X - 12680X - 12687X - 12689X - 12701X - 12704X - 12706X - 12707X - 12708X - 12712X - 12713X - 12714X - 12718X - 12721X - 12722X - 12726X - 12729X - 12730X - 12731X - 12738X - 12739X - 12740X - 12745X - 12753X - 12811X - 12812X - 12813X - 12815X - 12818X - 12821X - 12822X - 12830X - 12834X - 12839X - 12844X - 12847X - 12849X - 12906X - 13431X - 13507X - 13553X - 13684X - 13688X - 13689X - 13693X - 13695X - 13698X - 13723X - 13726X - 13728X - 13729X - 13835X - 13837X - 13838X - 13844X - 13846X - 13847X - 13866X - 13874X - 14056X - 14082X - 14662X - 14939X - 15136X - 15461X - 15469X - 15486X - 15492X - 15503X - 15523X - 15666X - 15728X - 15806X - 15807X - 16087X - 16124X - 16397X - 16570X - 16580X - 16649X - 16654X - 16938X - 17010X - 17162X - 17185X - 17300X - 17301X - 17304X - 17306X - 17323X - 17324X - 17325X - 17327X - 17328X - 17335X - 17337- retired for undecenoylcarnitine (C11:1)X - 17339X - 17340X - 17342X - 17343X - 17346X - 17348X - 17349X - 17351X - 17353X - 17354X - 17357X - 17358X - 17361X - 17365X - 17367X - 17398X - 17438X - 17612X - 17655X - 17673X - 17674X - 17675X - 17676X - 17679X - 17682X - 17685X - 17686X - 17688X - 17689X - 17690X - 17692X - 17699X - 17704X - 17707X - 17723X - 17733X - 17735X - 17763X - 17765X - 17842X - 18059X - 18126X - 18240X - 18345X - 18347X - 18410X - 18750X - 18779X - 18838X - 18886X - 18887X - 18888X - 18935X - 18945X - 19141X - 19183X - 19299X - 19763X - 19913X - 21258X - 21283X - 21285X - 21286X - 21295X - 21310X - 21312X - 21315X - 21364X - 21410X - 21441X - 21448X - 21467X - 21470X - 21661X - 21733X - 21736X - 21785X - 21787X - 21788X - 21792X - 21796X - 21798X - 21803X - 21807X - 21815X - 21821X - 21825X - 21827X - 21828X - 21829X - 21830X - 21831X - 21834X - 21838X - 21839X - 21840X - 21841X - 21842X - 21845X - 21851X - 22143X - 22148X - 22152X - 22162X - 22508X - 22509X - 22512X - 22519X - 22520X - 22587X - 22755X - 22757X - 22834X - 23034X - 23048X - 23157X - 23161X - 23240X - 23299X - 23304X - 23311X - 23314X - 23329X - 23331X - 23423X - 23429X - 23436X - 23438X - 23459X - 23461X - 23476X - 23481X - 23482X - 23502X - 23511X - 23517X - 23518X - 23581X - 23583X - 23587X - 23590X - 23593X - 23639X - 23641X - 23644X - 23647X - 23648X - 23653X - 23654X - 23655X - 23656X - 23657X - 23659X - 23662X - 23665X - 23666X - 23668X - 23672X - 23674X - 23678X - 23680X - 23710X - 23739X - 23748X - 23780X - 23787X - 23868X - 23890X - 23906X - 23908X - 23918X - 23970X - 24228X - 24246X - 24249X - 24270X - 24327X - 24328X - 24330X - 24332X - 24333X - 24334X - 24336X - 24337X - 24338X - 24339X - 24340X - 24341X - 24342X - 24343X - 24344X - 24345X - 24346X - 24347X - 24348X - 24349X - 24350X - 24352X - 24353X - 24354X - 24356X - 24357X - 24359X - 24361X - 24362X - 24363X - 24387X - 24400X - 24402X - 24403X - 24405X - 24406X - 24408X - 24410X - 24411X - 24412X - 24413X - 24414X - 24415X - 24418X - 24419X - 24421X - 24422X - 24431X - 24432X - 24440X - 24455X - 24456X - 24457X - 24468X - 24469X - 24473X - 24489X - 24493X - 24494X - 24495X - 24498X - 24515X - 24518X - 24519X - 24520X - 24522X - 24527X - 24530X - 24531X - 24540X - 24542X - 24543X - 24544X - 24546X - 24549X - 24556X - 24583X - 24586X - 24587X - 24588X - 24590X - 24591X - 24637X - 24645X - 24657X - 24680X - 24686X - 24699X - 24728X - 24736X - 24757X - 24761X - 24762X - 24763X - 24764X - 24767X - 24768X - 24794X - 24795X - 24796X - 24798X - 24799X - 24801X - 24807X - 24808X - 24810X - 24811X - 24812X - 24813X - 24947X - 24971X - 25003X - 25091X - 25109X - 25217X - 25219X - 25220X - 25242X - 25247X - 25271X - 25279X - 25345X - 25417X - 25419X - 25420X - 25422X - 25432X - 25435X - 25442X - 25454X - 25457X - 25464X - 25500X - 25511X - 25520X - 25523X - 25524X - 25525X - 25617X - 25656X - 25668X - 25785X - 25790X - 25793X - 25794X - 25797X - 25799X - 25800X - 25801X - 25802X - 25803X - 25804X - 25805X - 25806X - 25807X - 25809

    Bichemical Dictionary (VAND-02-18ML+ CLIENT DATA TABLE 9.10.18)

    BIOCHEMICALPATHWAY SORTORDERSUPER PATHWAYSUB PATHWAYCOMP IDPLATFORMCHEMICAL IDRIMASSPUBCHEMCASKEGGHMDB

    Sample List(SWMHS Urine_ID list for Metabolome_Project VAND-02-18ML+_7-9-2018)

    SeqSample_IDSet_IDGroupVolume_µlBox_NoRow/ColumnAssay_Batch