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Analysis: GC POSITIVE ION MODE

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
1,2-dipalmitoylglycerolDG 16:0_16:0ME42897999931-2595-
1,2-propanediol1,2-PropanediolME428980-C00717,C02912,C00583,C01506,C029171041-
1,3-dihydroxyacetoneDihydroxyacetoneME428981670C001841263-
1,3-dipalmitoylglycerolDG 16:0_16:0ME42898268149-2637-
1,5-anhydroglucitol (1,5-AG)1,5-AnhydrosorbitolME428983-C073261788.7-
1-methylhistidine1-MethylhistidineME428984-C011521757.7-
2,3-dihydroxyisovalerate2,3-Dihydroxyisovaleric acidME428985677C040391422-
2-(4-hydroxyphenyl)propionate4-Hydroxyphenyl-2-propionic acidME428986102526C030801635-
2-aminobutyrate2-Aminobutyric acidME428987-C022611537.5-
2-ethylhexanoatealpha-Ethylcaproic acidME4289888697-1210.5-
2-hydroxyadipate2-Hydroxyadipic acidME428989193530C023601653-
2-hydroxybutyrate (AHB)2-Hydroxybutyric acidME428990440864C059841169.4-
2-hydroxyglutarate2-Hydroxyglutaric acidME42899143C026301576-
2-hydroxyisobutyrate2-Hydroxyisobutyric acidME42899211671-1107.5-
2-oxoadipateOxoadipic acidME42899371C003221676-
3-hydroxybutyrate (BHBA)3-Hydroxybutyric acidME428994441C010891203.5-
3-hydroxyisobutyrate3-Hydroxyisobutyric acidME42899511966314C060011205-
3-hydroxypyridine3-HydroxypyridineME4289967971-1187.1-
3-phosphoglycerate3-Phosphoglyceric acidME428997-C005971754-
4-hydroxybenzoate4-Hydroxybenzoic acidME428998-C001561623.8-
4-hydroxybutyrate (GHB)4-Hydroxybutyric acidME42899910413C009891277-
4-hydroxyphenylacetate4-Hydroxyphenyl acetateME4290004693933C006421630.6-
5,6-dihydrouracilDihydrouracilME429001649C004291505.2-
7-beta-hydroxycholesterol7beta-HydroxycholesterolME429002473141C035942340-
acetylphosphateAcetylphosphateME429003186C002271263-
adenineAdenineME429004190C001471804.2-
adipateAdipic acidME429005196C061041520-
alanineAlanineME429006-C000411487.9-
alanylalanineAla-AlaME429007-C009931379.5-
allantoinAllantoinME429008204C023501809.8-
alpha-hydroxyisovalerate2-Hydroxy-3-methylbutyric acidME42900999823-1208-
alpha-ketoglutarateOxoglutaric acidME42901051C000261779-
alpha-tocopherolalpha-TocopherolME42901114985C024772305.4-
arabinoseArabinoseME42901266308C001811631.6-
arabitolArabitolME42901394154C004741687.5-
arabonateArabinonic acidME429014122045-1736-
arachidate (20:0)Arachidic acidME42901510467C064252071.2-
ascorbate (Vitamin C)Vitamin CME429016-C000721850.1-
asparagineAsparagineME429017-C001521854-
benzoateBenzoic acidME429018243C001801291.5-
beta-alaninebeta-AlanineME429019-C000991582.3-
beta-hydroxypyruvateHydroxypyruvic acidME429020964C001681425.1-
beta-sitosterolSitosterolME429021222284C017532380.8-
campesterolCampesterolME429022173183C017892353-
chiro-inositol1D-chiro-InositolME429023--1857-
cholesterolCholesterolME4290246432564C001872316.9-
cis-vaccenate (18:1n7)cis-Vaccenic acidME4290255282761C083671987-
citrateCitric acidME429026311C001581763.4-
dimethylglycineDimethylglycineME429027-C010261030-
erucamide13Z-DocosenamideME4290285365371-2205.7-
erythritolErythritolME429029-C005031517.5-
erythronate*Erythronic acidME4290302781043-1546.9-
erythruloseErythruloseME4290315460032-1496-
ethanolamineEthanolamineME429032-C001891074-
fructoseFructoseME4290335984C000951758-
fucoseFucoseME4290343034656C003821682.2-
fumarateFumaric acidME429035-C001221382.1-
glucoseGlucoseME42903679025C000311866.8-
glucose-6-phosphate (G6P)Glucose 6-phosphateME429037-C006682042.7-
glucuronateGlucuronic acidME42903865041C001911886.5-
glutamateGlutamic acidME429039611C000251836.8-
glutarate (pentanedioate)Glutaric acidME4290404418048C004891433.6-
glycerateGlyceric acidME429041752C002581360.7-
glycerolGlycerolME429042753C001161311-
glycerol 2-phosphatesn-Glycero-2-phosphateME4290432526C02979,D014881691.8-
glycerol 3-phosphate (G3P)sn-Glycero-3-phosphateME429044754C000931719.7-
glycineGlycineME429045-C000371486.9-
glycolate (hydroxyacetate)Glycolic acidME429046-C001601119-
glycylglycineGly-GlyME429047-C020371447.3-
gulono-1,4-lactoneD-GulonolactoneME429048608C010401862-
hypoxanthineHypoxanthineME429049790C002621759.2-
indolelactateIndolelactic acidME42905092904C020431964.9-
indolepyruvateIndolepyruvateME429051803C003312066-
inositol 1-phosphate (I1P)Inositol 3-phosphateME429052--2057.8-
Isobar: ribulose 5-phosphate, xylulose 5-phosphate-ME429053--1935-
isosorbide-ME42905412597D003471522-
lactateLactic acidME429055612C001861102.8-
lysineLysineME4290565962C000471910-
malateD-Malic acidME429057525C001491502-
mannitolMannitolME4290586251C003921839-
mannoseMannoseME429059161658C001591753.5-
methyl-4-hydroxybenzoateMethyl-4-hydroxybenzoateME4290607456D014001515-
methyl-alpha-glucopyranoside-ME42906164947C04942,C026031809-
methylphosphateMethanolphosphateME42906213130-1221-
myo-inositolMyo-inositolME429063-C001371924.9-
N-acetylaspartate (NAA)N-Acetylaspartic acidME42906465065C010421648.5-
N-acetylglycineN-AcetylglycineME42906510972-1396.4-
N-acetylneuraminateN-Acetylneuraminic acidME429066-C002702074.9-
N-acetylserineN-AcetylserineME42906765249-1526-
n-Butyl OleateN-Butyl OleateME4290685354342-2045-
N-glycolylneuraminateN-GlycoloylneuraminateME4290694603312C034102131-
oleate (18:1n9)Oleic acidME429070445639C007121984.4-
ornithineOrnithineME4290716262C000771940.3-
orotateOrotic acidME429072967C002951709.6-
oxalate (ethanedioate)Oxalic acidME429073-C002091175.1-
palmitoyl sphingomyelinSM 18:1;O2/16:0ME4290749939941-2524-
pentadecanoate (15:0)Pentadecylic acidME42907513849C165371853.5-
phosphatePhosphoric acidME4290761061C000091307.7-
pimelate (heptanedioate)Pimelic acidME429077385C026561602.9-
pinitolPinitolME429078-C038441773-
pyrophosphate (PPi)PyrophosphateME429079644102C000131642.3-
pyruvatePyruvic acidME429080107735C000221130.6-
ribitolRibitolME429081-C004741692.4-
riboseRiboseME4290825311110C001211652-
ribuloseL-RibuloseME42908379021C003091662-
salicylateSalicylic acidME429084338C008051524-
sarcosine (N-Methylglycine)SarcosineME429085-C002131182.9-
scyllo-inositolMyo-inositolME429086-C061531893.8-
serineSerineME429087-C000651656.3-
sorbitolSorbitolME429088107428C007941843-
stearoyl sphingomyelinSM 18:1;O2/18:0ME4290896453725C005502645-
succinateSuccinic acidME4290901110C000421348-
threonateThreonic acidME429091151152C016201560.7-
trans-4-hydroxyprolinetrans-4-HydroxyprolineME429092-C011571733.1-
uracilUracilME4290931174C001061370.4-
ureaUreaME429094-C000861223.9-
xanthineXanthineME4290951188C003851889.9-
xylitolXylitolME4290966912C003791677.6-
xylonateXylonic acidME4290976602431C00502,C054111722-


Analysis: LC/MS POSITIVE ION MODE

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
1-arachidonoylglycerophosphocholine*LPC 20:4/0:0ME429098-C052085554-
1-arachidoylglycerophosphocholineLPC 20:4/0:0ME429099--6100-
1-docosahexaenoylglycerophosphocholine*-ME429100--5518-
1-eicosadienoylglycerophosphocholine*-ME429101--5696-
1-eicosatrienoylglycerophosphocholine*-ME429102--5600-
1-heptadecanoylglycerophosphocholine-ME429103--5750-
1-linoleoylglycerophosphocholineLPC 18:2ME42910411988421C041005574-
1-myristoylglycerophosphocholineLPC 14:0ME429105460604-5481-
1-oleoylglycerophosphocholineLPC 18:1ME42910616081932-5700-
1-palmitoleoylglycerophosphocholine*-ME429107--5524-
1-palmitoylglycerophosphocholineLPC 16:0/0:0ME42910886554-5671-
1-pentadecanoylglycerophosphocholine*-ME429109--5563-
1-stearoylglycerophosphocholineLPC 18:0/0:0ME429110497299-5844-
2-aminoadipatealpha-Aminoadipic acidME429112469C00956794-
2-arachidonoylglycerophosphocholine*LPC 20:4ME429113--5524-
2'-deoxycytidineDeoxycytidineME42911113711C008811256-
2-docosahexaenoylglycerophosphocholine*LPC 22:6ME429114--5507-
2-docosahexaenoylglycerophosphoethanolamine*LPE 22:6ME429115--5512-
2-linoleoylglycerophosphocholine*LPC 18:2ME429116--5544-
2-methylbutyroylcarnitineCAR 4:0;2MeME4291176426901-2439-
2-oleoylglycerophosphocholine*LPC 18:1ME429118--5640-
2-palmitoylglycerophosphocholine*LPC 0:0/16:0ME429119--5604-
2-stearoylglycerophosphocholine*LPC 18:0ME42912010208382-5780-
3-dehydrocarnitine*3-DehydrocarnitineME4291216991982C026361020-
3-ureidopropionateUreidopropionic acidME429122111C026421062-
4-acetamidobutanoate4-Acetamidobutanoic acidME42912318189C029461724-
4-guanidinobutanoate4-Guanidinobutanoic acidME429124500C010351085-
5-methylthioadenosine (MTA)5'-MethylthioadenosineME429125439176C001702427-
acetylcarnitineCAR 2:0ME4291267045767C025711203-
adenosineAdenosineME42912760961C002121650-
adenosine 5'-monophosphate (AMP)AMPME42912815938965C000201210-
arginineArginineME429129-C00062650-
betaineBetaineME429130247-721-
biliverdinBiliverdinME429131-C005004936-
bradykinin, des-arg(9)BradykininME429132105044C003063516-
butyrylcarnitineCAR 4:0ME429133213144-2007-
butyrylglycineN-ButyrylglycineME42913488412-2077-
carnitineCarnitineME42913610917-702-
C-glycosyltryptophan*C-GlycosyltryptophanME429135--1912-
cholineCholineME429137170746-674-
citrullineCitrullineME429138833C00327715-
corticosteroneCorticosteroneME4291395753C021404856-
creatineCreatineME429140586C00300758-
creatinineCreatinineME429141588C00791730-
cysteine-glutathione disulfideCysteine-glutathione disulfideME4291424247235-821-
cytidineCytidineME4291436175C004751065-
deoxycarnitine3-DehydroxycarnitineME429144725C01181759-
dimethylarginine (SDMA + ADMA)DimethylarginineME429145123831C03626812-
ergothioneineErgothioneineME4291463032311C05570847-
gamma-glutamylalaninegamma-GlutamylalanineME429147440103-1108-
gamma-glutamylglutamategamma-Glutamylglutamic acidME42914892865-1036-
gamma-glutamylglutaminegamma-GlutamylglutamineME429149150914-806-
gamma-glutamylisoleucine*gamma-GlutamylisoleucineME429150--2644-
gamma-glutamylleucinegamma-GlutamylleucineME429151151023-2744-
gamma-glutamylmethioninegamma-GlutamylmethionineME4291527009567-1993-
gamma-glutamylphenylalaninegamma-GlutamylphenylalanineME429153111299-2846-
gamma-glutamylthreonine*gamma-GlutamylthreonineME429154--977-
gamma-glutamyltryptophangamma-GlutamyltryptophanME4291553038501-3033-
gamma-glutamyltyrosinegamma-GlutamyltyrosineME42915694340-2073-
gamma-glutamylvalinegamma-GlutamylvalineME429157--2040-
glutamineGlutamineME429158-C00064684-
glutaroyl carnitineCAR DC5:0ME429159--1565-
glutathione, oxidized (GSSG)Oxidized glutathioneME429160-C001271535-
glycerophosphorylcholine (GPC)sn-Glycero-3-phosphocholineME429161657272C00670694-
glycylvalineGly-ValME429162--1572-
hemeAltretamineME429163--5057-
heptaethylene glycolHeptaethylene glycolME42916479718-2836-
hexaethylene glycolHexaethylene glycolME42916517472-2651-
hexanoylcarnitineCAR 6:0ME4291666426853C015853174-
homocitrullineHomocitrullineME429167-C02427832-
homostachydrine*(S)-HomostachydrineME429168441447C082831199-
imidazole propionateImidazole propanoateME42916970630-1011.7-
indoleacetateIndoleacetic acidME429170802C009543760-
isobutyrylcarnitineCAR 3:0;2MeME429171--1941-
isoleucineIsoleucineME429172791C004071614-
isovalerylcarnitineCAR 4:0;3MeME4291736426851-2533-
isovalerylglycineIsovalerylglycineME429174546304-2665-
kynurenineKynurenineME429175-C003281902-
leucineLeucineME429176-C001231674-
levulinate (4-oxovalerate)Levulinic acidME42917711579-1867-
methionineMethionineME429178-C000731252-
methyl-beta-glucopyranoside-ME4291792108-1094.3-
methylglutaroylcarnitineCAR DC5:0;3MeME429180128145-1900-
N1-methyladenosine1-MethyladenosineME4291845460178C024941356-
N1-methylguanosine1-MethylguanosineME42918596373-1850-
N4-acetylcytidineN4-AcetylcytidineME429186107461-2030-
N6-carbamoylthreonyladenosineN6-Carbamoyl-L-threonyladenosineME429187--2656-
N-acetyl-aspartyl-glutamate (NAAG)N-Acetyl-Asp-GluME4291815255C122701563-
N-acetyl-beta-alanineN-Acetyl-beta-alanineME42918276406C010731460-
N-acetylornithineN-AcetylornithineME429183-C00437875-
nicotinamideNiacinamideME429188936C001531267-
octaethylene glycolOctaethylene glycolME42918978798-3054-
octanoylcarnitineCAR 8:0ME429190123701-4100-
ophthalmateOphthalmic acidME4291919817431-1457-
palmitoylcarnitineCAR 16:0ME429192461-5179-
pentaethylene glycolPentaethylene glycolME42919362551-2471-
phenylalaninePhenylalanineME429194-C000792056-
pipecolatePipecolic acidME429195849C004081120-
pro-hydroxy-proPro-hydroxyProME42919611673055-960-
prolineProlineME429197-C00148796-
propionylcarnitineCAR 3:0ME429198107738C030171589-
riboflavin (Vitamin B2)RiboflavinME429199493570C002553111-
S-adenosylhomocysteine (SAH)S-AdenosylhomocysteineME429200-C000211480-
serotonin (5HT)SerotoninME4292015202C007801660-
spermidineSpermidineME4292021102C00315533-
sphinganineSphinganineME4292033126C008365175-
sphingosineSphingosineME4292045353955C003195197-
stachydrineStachydrineME429205115244C10172860-
succinylcarnitineCAR DC4:0ME429206--1401-
taurineTaurineME429207-C00245687-
TDTEDKGEFLSEGGGV*-ME429208--3301-
TDTEDKGEFLSEGGGVR*-ME429209--2880-
tetraethylene glycolTetraethylene glycolME4292108200-2192-
threonineThreonineME429211-C00188713-
tigloylglycineTiglylglycineME4292126441567-2523-
trans-urocanateUrocanic acidME429213736715C007851119-
triethyleneglycol-ME429214--1824-
trigonelline (N'-methylnicotinate)TrigonellineME4292155570-757-
tryptophanTryptophanME429216-C000782445-
tyrosineTyrosineME429217-C000821516-
valerylcarnitineCAR 5:0ME4292186426903-2584-
valerylglycineValerylglycineME4292194737557-2824-
valineValineME429220-C001831040-
xanthosineXanthosineME42922164959C017621785-


Analysis: LC/MS NEGATIVE ION MODE

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
10-heptadecenoate (17:1n7)10Z-Heptadecenoic acidME4292325312435-5558-
10-nonadecenoate (19:1n9)Nonadeca-10Z-enoic acidME4292335312513-5775-
10-undecenoate (11:1n1)10-Hendecenoic acidME429234--5086-
12,13-hydroxyoctadec-9(Z)-enoate12,13-DiHOMEME42923510236635C148295137-
12-HEPE12-HEPEME42923610041593-5236-
12-HETE12-HETEME429237--5295-
13-HODE + 9-HODE-ME429238--5247-
15-methylpalmitate (isobar with 2-methylpalmitate)15-Methyl palmitic acidME429239--5698-
17-methylstearateXi-17-Methyloctadecanoic acidME4292403083779-5987-
1-arachidonoylglycerophosphoethanolamine*LPE 20:4ME429222--5731-
1-arachidonoylglycerophosphoinositol*LPI 20:4ME429223--5479-
1-linoleoylglycerophosphoethanolamine*LPE 18:2ME429224--5725-
1-linoleoylglycerophosphoinositol*LPI 18:2ME429225--5487-
1-oleoylglycerophosphoethanolamineLPE 18:1ME4292269547071-5928-
1-palmitoylglycerophosphoethanolamineLPE 16:0ME4292279547069-5940-
1-palmitoylglycerophosphoinositol*LPI 16:0ME429228--5573-
1-palmitoylplasmenylethanolamine*LPE P-16:0 or LPE O-16:1ME429229--6153-
1-stearoylglycerophosphoethanolamineLPE 18:0/0:0ME4292309547068-6200-
1-stearoylglycerophosphoinositolLPI 18:0/0:0ME429231--5800-
2-arachidonoylglycerophosphoethanolamine*LPE 20:4ME429242--5674-
2'-deoxyuridineDeoxyuridineME42924113712C005261608-
2-hydroxy-3-methylvalerate2-Hydroxy-3-methyl-pentanoic acidME429243164623-1787-
2-hydroxypalmitate2-Hydroxy palmitic acidME42924492836-5508-
2-hydroxystearate2-Hydroxystearic acidME42924569417C030455705-
2-linoleoylglycerophosphoethanolamine*LPE 18:2ME429246--5650-
2-oleoylglycerophosphoethanolamine*LPE 18:1ME429247--5848-
2-palmitoylglycerophosphoethanolamine*LPE 16:0ME429248--5790-
3-(4-hydroxyphenyl)lactateHydroxyphenyllactic acidME4292499378C036721395-
3-hydroxydecanoate3-Hydroxydecanoic acidME42925026612-4681-
3-indoxyl sulfateIndoxyl sulfateME42925110258-2258-
3-methyl-2-oxobutyrateKetoisovaleric acidME42925249C001411489-
3-methyl-2-oxovalerate3-Methyl-2-oxovaleric acidME42925347C006712106-
3-methylhistidine3-MethylhistidineME429254-C01152911-
3-phenylpropionate (hydrocinnamate)Hydrocinnamic acidME429255-C056292830-
4-hydroxyphenylpyruvate4-Hydroxyphenylpyruvic acidME429256979C011791716-
4-methyl-2-oxopentanoateKetoleucineME42925770C002332200-
4-vinylphenol sulfate4-HydroxystyreneME4292586426766C056273323-
5-oxoprolinePyroglutamic acidME4292597405C01879744-
7-alpha-hydroxy-3-oxo-4-cholestenoate (7-Hoca)7alpha-Hydroxy-3-oxo-4-cholestenoic acidME4292603081085C173375268-
8-hydroxyoctanoate8-Hydroxyoctanoic acidME42926169820-2323-
adrenate (22:4n6)Adrenic acidME4292625282844C165275684-
alpha-hydroxyisocaproate2-Hydroxyisocaproic acidME42926383697C032641854-
alpha-muricholatealpha-Muricholic acidME4292643083761C176474763-
anserineAnserineME429265-C012621126-
arachidonate (20:4n6)Arachidonic acidME429266444899C002195525-
azelate (nonanedioate)Azelaic acidME4292672266C082611322-
beta-estradiol 3-sulfateEstradiol-17beta 3-sulfateME42926866416C083574405-
beta-hydroxyisovalerate3-Hydroxyisovaleric acidME42926969362-1043-
beta-muricholatebeta-Muricholic acidME4292703083762C177264787-
bilirubin (E,E)*BilirubinME4292715315454-4242-
caprate (10:0)Capric acidME4292722969C015715092-
caproate (6:0)Caproic acidME4292738892C015852766-
caprylate (8:0)Caprylic acidME429274379C064234367-
catechol sulfateCatechol sulfateME4292753083879C000901928-
cholateCholic acidME429276-C006955148-
cinnamoylglycineCinnamoylglycineME429277709625-3139-
cis-urocanateUrocanic acidME4292781549103-1187-
daidzeinDaidzeinME4292795281708C102083541-
deoxycholateDeoxycholic acidME429280440355C044835268-
dihomo-linoleate (20:2n6)11Z,14Z-Eicosadienoic acidME4292816439848C165255722-
dihomo-linolenate (20:3n3 or n6)Bishomo-gamma-linolenic acidME4292825312529C032425600-
docosadienoate (22:2n6)13Z,16Z-Docosadienoic acidME4292835282807C165336017-
docosahexaenoate (DHA; 22:6n3)LPC 22:6ME429284445580C064295518-
docosapentaenoate (n3 DPA; 22:5n3)DPAME429285-C165135574-
docosapentaenoate (n6 DPA; 22:5n6)Docosapentaenoic acid (22n-6)ME4292866441454C064295625-
dodecanedioateDodecanedioic acidME42928712736C026782990-
eicosapentaenoate (EPA; 20:5n3)Eicosapentaenoic acidME429288446284C064285442-
eicosenoate (20:1n9 or 11)cis-Gondoic acidME429289--5955-
equol sulfate-ME429290--3625-
flavin adenine dinucleotide (FAD)FADME429291643975C000162413-
glycocholateGlycocholic acidME42929210140C019215104-
heptanoate (7:0)Heptylic acidME4292938094C177143695-
hexadecanedioateHexadecanedioic acidME42929410459-4650-
hexanoylglycineHexanoylglycineME42929599463-2918-
hippurateHippuric acidME429296464C015862136-
histidineHistidineME429297-C00135757-
indolepropionate3-Indolepropionic acidME4292983744-2795-
inosineInosineME429299--1600-
isovalerateIsovaleric acidME42930010430C082621623-
kynurenateKynurenic acidME4293013845C017172243-
laurate (12:0)Lauric acidME4293023893C026795288-
linoleate (18:2n6)Linoleic acidME4293035280450C015955533-
linolenate [alpha or gamma; (18:3n3 or 6)]gamma-Linolenic acidME429304-C064275450-
margarate (17:0)Margaric acidME42930510465-5733-
mead acid (20:3n9)ETrE(5Z,8Z,11Z)ME4293065312531-5642-
myristate (14:0)Myristic acidME42930711005C064245439-
myristoleate (14:1n5)Myristoleic acidME4293085281119C083225338-
N-acetylalanineN-AcetylalanineME42930988064C02847882-
N-acetylglutamineN-AcetylglutamineME429310182230C02716783-
N-acetylisoleucineN-AcetylisoleucineME4293112802421-2279-
N-acetylleucineN-AcetylleucineME42931270912C027102385-
N-acetylmethionineN-AcetylmethionineME429313448580C027121805-
N-acetylphenylalanineN-AcetylphenylalanineME42931474839C035192590-
N-acetylthreonineN-AcetylthreonineME4293154651717C01118846-
N-acetyltryptophanN-Acetyl-tryptophanME429316700653C031372650-
N-acetyltyrosineN-AcetyltyrosineME42931768310-1677-
N-formylmethionineN-FormylmethionineME429318439750C031451541-
nonadecanoate (19:0)Nonadecenoic acidME42931912591C165356073-
octadecanedioateOctadecanedioic acidME42932070095-5033-
palmitate (16:0)Palmitic acidME429322985C002495619-
palmitoleate (16:1n7)Palmitoleic acidME429323445638C083625477-
pantothenatePantothenic acidME4293246613C008641486-
p-cresol sulfatep-Cresol sulfateME4293214615422C014682896-
pelargonate (9:0)Pelargonic acidME4293255461016C016014847-
phenol sulfatePhenyl hydrogen sulfateME42932674426C021802150-
phenylacetylglycinePhenylacetylglycineME42932768144C055982377-
phenyllactate (PLA)Phenyllactic acidME4293283848C056072237-
phenylpropionylglycinePhenylpropionylglycineME429329152323-2981-
pseudouridinePseudouridineME429330-C020671104-
pyridoxate4-Pyridoxic acidME4293316723C008472210-
sebacate (decanedioate)Sebacic acidME4293325192C082771778-
stearate (18:0)Stearic acidME4293335281C015305886-
stearidonate (18:4n3)Stearidonic acidME4293345312508C163005381-
suberate (octanedioate)Suberic acidME42933510457C08278831-
tauro-beta-muricholateTauro-beta-muricholic acidME429336168408-4763-
taurochenodeoxycholateTaurochenodeoxycholic acidME429337387316C054655218-
taurocholateTaurocholic acidME429338-C051225122-
taurodeoxycholateTaurodeoxycholic acidME4293392733768C054635243-
tauroursodeoxycholateTauroursodeoxycholic acidME429340--5002.6-
tetradecanedioateTetradecanedioic acidME42934113185-3970-
thymidineThymidineME4293425789C002141935-
undecanedioateUndecanedioic acidME42934315816-2376-
undecanoate (11:0)Undecylic acidME4293448180-5207-
urateUric acidME429345-C00366769-
uridineUridineME4293466029C002991430-
valerateValeric acidME4293477991C008031774-


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