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Analysis: Reversed phase NEGATIVE ION MODE

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
Cortisol 21-acetateCortisol 21-acetateME482933-C0282110.06-
12-Hydroxydodecanoic acid12-Hydroxy lauric acidME482917-C0831710.41-
Glycocholic AcidGlycocholic acidME482936-C0192111.09-
D-OrnithineD-OrnithineME482986-C005151.13-
Hydroxylysine5-HydroxylysineME483050-C012111.13-
L-OrnithineOrnithineME482987-C000771.13-
L-LysineLysineME483049-C000471.14-
Cholic acidCholic acidME482934-C0069511.71-
D-GalactosamineGalactosamineME483046-C022621.22-
D-MANNOSAMINE2-Amino-2-deoxy-D-mannoseME483044--1.22-
GlucosamineGlucosamineME483045-C003291.22-
L-ArginineArginineME483051-C000621.22-
L-HistidineHistidineME483065-C001351.22-
CarnosineCarnosineME483134-C003861.23-
D-Glucosamine 6-phosphateGlucosamine 6-phosphateME483052-C003521.24-
Diaminopimelic acidDiaminopimelic acidME483073-C006661.24-
L-AnserineAnserineME482894-C012621.24-
L-CystineCystineME483027-C004911.24-
UBRM_1.24_287.1571-ME483145--1.24-
L-SerineSerineME482950-C000651.25-
O-PhosphorylethanolaminePhosphoethanolamineME482941-C003461.25-
L-AsparagineAsparagineME482970-C001521.26-
TaurineTaurineME482939-C002451.26-
Aminobutryic acidgamma-Aminobutyric acidME482974-C003341.27-
D-Glucose 6-phosphateGlucose 6-phosphateME483048-C000921.27-
GlutamineGlutamineME482978-C000641.27-
L-Aspartic AcidAspartic acidME482968-C000491.27-
ß-Alaninebeta-AlanineME482949-C000991.27-
5(d)-Aminolevulinic Acid5-Amino-levulinic acidME483006-C004301.28-
CarnitineCarnitineME483076-C003181.28-
cis-4-Hydroxy-D-prolinecis-4-Hydroxy-D-prolineME483007-C034401.28-
UBRM_1.28_202.0954-ME483141--1.28-
D-(+)-GALACTURONIC ACIDGalacturonic acidME483022--1.29-
D-Glucuronic acidGlucuronic acidME483021-C001911.29-
L-CystathionineCystathionineME483074-C022911.29-
AllothreonineAllothreonineME482977-C055191.3-
CitrullineCitrullineME483040-C003271.3-
CreatinineCreatinineME482966-C007911.3-
DL-HomoserineHomoserineME482975-C002631.3-
Imidazoleacetic acidImidazoleacetic acidME482996-C028351.3-
L-ThreonineThreonineME482976-C001881.3-
Galactaric acidGalactaric acidME483023-C008791.31-
Glycerol 2-phosphatesn-Glycero-2-phosphateME482955-C029791.31-
Glyceryl phosphatesn-Glycero-3-phosphateME482954-C000931.31-
ArabinoseArabinoseME482982--1.32-
D-(-)-LyxoseLyxoseME482980-C004761.32-
Gluconic acidGluconic acidME483039-C002571.32-
Glucosaminic acidGlucosaminic acidME483047-C037521.32-
Cysteic acidCysteic acidME482952-C005061.33-
Guanidinosuccinic AcidGuanidinosuccinic acidME483005-C031391.33-
cis-9-palmitoleic acidPalmitoleic acidME482923-C0836213.32-
(4Z,7Z,10Z,13Z,16Z,19Z)-4,7,10,13,1 6,19-Docosahex...DHAME482932-C0642913.37-
2-Aminoethylphosphonic acidCiliatineME482940-C035571.35-
D-MannitolMannitolME483054-C003921.35-
D-SorbitolSorbitolME483055-C007941.35-
DulcitolGalactitolME483053-C016971.35-
L-(-)-ArabitolL-ArabitolME482990-C032911.35-
RibitolRibitolME482989-C004741.35-
XylitolXylitolME482988-C003791.35-
a-D-GlucoseGlucoseME483034-C002671.36-
AllantoinAllantoinME482960-C015511.36-
AlloseAlloseME483035-C014871.36-
D-GalactoseGalactoseME483037-C001241.36-
D-(+)-MannoseMannoseME483033-C001591.36-
D-TagatoseD-TagatoseME483036-C007951.36-
ErythritolErythritolME482957-C005031.36-
Glyoxylic acidGlyoxylic acidME482938-C000481.36-
L-(-)SorboseSorboseME483031-C002471.36-
myo-InositolMyo-inositolME483032-C001371.36-
SarcosineSarcosineME482948-C002131.36-
UBRM_1.37_260.1001-ME483150--1.37-
L-2-Aminoadipic acidAminoadipic acidME483025-C009561.38-
N-Methyl-L-glutamateN-Methyl-glutamic acidME483026-C010461.38-
tartaric acidTartaric acidME482965-C008981.38-
HomocystineHomocystineME483108-C018171.39-
N-Acetylneuraminic AcidN-Acetylneuraminic acidME482906-C002701.39-
phosphoenol pyruvatePhosphoenolpyruvic acidME482946-C000741.39-
S-(Carboxymethyl)-L-cysteineS-Carboxymethyl-cysteineME483012-C037271.39-
TrigonellineTrigonellineME483089-C010041.39-
SPHINGOMYELINSM 18:1;O2/18:0ME482956--13.99-
D-Aspartic acidD-Aspartic acidME482969-C004021.4-
Cytidine diphosphate choline (CDPcholine)CDP-cholineME482920-C003071.41-
3-Sulfino-L-alanine3-Sulfino-alanineME482951-C006061.42-
a,a-TrehaloseTrehaloseME482910-C010831.42-
D-(+)-CellobioseCellobioseME482916--1.42-
GulonolactoneL-GulonolactoneME483020-C010401.42-
LactoseLactoseME482911-C002431.42-
MaltoseMaltoseME482914-C002081.42-
MelibioseMelibioseME482913-C054021.42-
PalatinosePalatinoseME482915-C017421.42-
SucroseSucroseME482912-C000891.42-
UBRM_1.42_250.1065-ME483151--1.42-
AcetyllysineN(2)-AcetyllysineME483107-C129891.43-
N-Acetyl-ß-D-mannosamineN-Acetyl-mannosamineME483105--1.43-
Quinic acidQuinic acidME483071-C002961.43-
2',3'-Cyclic CMP2',3' cyclic CMPME483129-C023541.44-
a-N-AcetylglucosamineN-AcetylhexosamineME483106-C027111.44-
RaffinoseRaffinoseME482926-C004921.44-
D-(-)-ArabinoseArabinoseME482979-C002161.45-
Dihydroxyacetone phosphateDihydroxyacetone phosphateME482953-C001111.45-
D-RiboseRiboseME482981-C001211.45-
N-FORMYLGLYCINEN-FormylglycineME482945--1.45-
StachyoseStachyoseME482935-C016131.45-
UBRM_1.45_228.1106-ME483152--1.45-
CytidineCytidineME483133-C004751.48-
D-PSICOSEPsicoseME483038--1.48-
IsocitrateIsocitric acidME483063-C003111.53-
DeoxycytidineDeoxycytidineME483132-C008811.55-
2-Deoxyglucose2-Deoxy-glucoseME483028--1.56-
6-Deoxy-L-galactoseD-FucoseME483029-C010191.56-
a-L-RhamnoseRhamnoseME483030-C005071.56-
D-(+)-Malic acidD-Malic acidME482963-C004971.56-
GlucuronolactoneGlucuronolactoneME483062-C026701.56-
Malic acidMalic acidME482964-C036681.56-
4-Hydroxy-L-prolinecis-4-HydroxyprolineME483009-C010151.57-
N-ALPHA-ACETYL-L-ASPARAGINEN-AcetylasparagineME483013--1.57-
Malonic acidMalonic acidME482944-C003831.58-
UBRM_1.58_172.0843-ME483139--1.58-
4-Guanidinobutanoate4-Guanidinobutanoic acidME482983-C010351.59-
Dehydroascorbic acidL-Dehydroascorbic acidME483059-C004251.59-
Oxoglutaric acid2-Oxoglutaric acidME483000-C000261.59-
Urocanic acidUrocanic acidME483057-C007851.59-
Uridine monophosphate (UMP)UMPME483131-C001051.6-
O-Succinyl-L-homoserineo-SuccinylhomoserineME483102-C011181.61-
N-Acetyl-DL-serineN-AcetylserineME483011--1.62-
METHYL BETA-D-GALACTOSIDEMethyl beta-D-galactosideME483075--1.63-
L-Norvaline2S-Aminopentanoic acidME482985--1.65-
L-ValineValineME482984-C001831.65-
Pyridoxine (Vitamin B6)PyridoxineME483100-C003141.66-
UDP-D-galactoseUDP-galactoseME482922-C000521.67-
UDP-glucoseUDP-glucoseME482921-C000291.67-
UBRM_1.68_342.1532-ME483148--1.68-
Glycylprolylhydroxyproline-ME482909--1.69-
Shikimic acidShikimic acidME483068-C004931.69-
3-Ureidopropionic acidUreidopropionic acidME482971-C026421.7-
(S)-Dihydroorotate4,5-Dihydroorotic acidME482998-C003371.7-
Aceturic acidN-AcetylglycineME482967--1.73-
Citric acidCitric acidME483064-C001581.76-
Adenosine5'-monophosphateAMPME482892-C000201.8-
N-acetylaspartateN-Acetylaspartic acidME483066-C010421.8-
Nicotinamide adenine dinucleotide (NAD)NADME482929-C000031.8-
Orotic acidOrotic acidME482991-C002951.8-
UBRM_1.84_174.0999-ME483140--1.84-
Pyridoxal (Vitamin B6)PyridoxalME483118-C002501.87-
5-Hydroxymethyluracil5-HydroxymethyluracilME482997-C030881.89-
3-Dehydroshikimic acid3-DehydroshikimateME483096-C026371.9-
Uric acidUric acidME482994-C003661.92-
3-mercaptopyruvate3-Mercaptopyruvic acidME482943-C009571.96-
DL-3,4-Dihydroxymandelic acid3,4-Dihydroxymandelic acidME483117-C055801.99-
Fumaric acidFumaric acidME482959-C001221.99-
Maleic acidMaleic acidME482958-C013841.99-
Pyroglutamic acidPyroglutamic acidME483001-C018791.99-
UBRM_1.99_230.126-ME483142--1.99-
HypoxanthineHypoxanthineME482992-C002622.11-
Oxoadipic acidOxoadipic acidME483061-C003222.11-
2,3-Pyridinedicarboxylic acidQuinolinic acidME483077-C037222.17-
L-TyrosineTyrosineME483127-C000822.17-
MethylglyoxalPyruvaldehydeME482942-C005462.17-
Niacin (Nicotinic acid)Nicotinic acidME483056-C002532.17-
3-Hydroxy-DL-kynurenineHydroxykynurenineME482882-C027942.19-
N-Acetyl-L-glutamic acidN-Acetyl-mannosamineME483069-C006242.19-
UridineUridineME483128-C002992.25-
Deoxyadenosine monophosphatedAMPME482891-C003602.27-
Glyceric acidGlyceric acidME482947-C002582.29-
XanthineXanthineME482993-C003852.29-
Acetoacetic acidAcetoacetic acidME482961-C001642.32-
Citramalic acidCitramalic acidME483004-C008152.32-
trans-Aconitatetrans-Aconitic acidME483058-C023412.32-
3-Amino-4-hydroxybenzoic acid3-Amino-4-hydroxybenzoic acidME483092-C121152.33-
AHBA3-Amino-5-hydroxybenzoic acidME483090-C121072.33-
Succinic acidSuccinic acidME482962-C000422.33-
S-AdenosylhomocysteineS-AdenosylhomocysteineME482919-C000212.36-
UBRM_2.39_184.0842-ME483153--2.39-
L-IsoleucineIsoleucineME483041-C004072.49-
N-Acetyl-L-alanineN-AcetylalanineME483008-C006242.54-
Pyridoxal PhosphatePyridoxal 5'-phosphateME483097-C000182.67-
L-LeucineLeucineME483042-C001232.68-
L-NorleucineNorleucineME483043-C019332.68-
3-hydroxy-3-methyl-Glutaric acid3-Hydroxymethylglutaric acidME483019-C037612.74-
Acetyl-L-CysteineN-AcetylcysteineME483010-C068092.95-
InosineInosineME482883-C002942.95-
5-Hydroxytryptophan5-Hydroxy-tryptophanME482901-C006432.97-
GuanosineGuanosineME482888-C003873.02-
ThymineThymineME482995-C001783.03-
2-hydroxy-butanoic acid2-Hydroxybutyric acidME482973-C059843.09-
DL-a-Hydroxybutyric acid2R-Hydroxybutyric acidME482972-C059843.09-
4-acetamidobutanoate4-Acetamidobutanoic acidME483024-C029463.1-
3-O-Methyl-L-DOPA-ME482889--3.12-
AdenosineAdenosineME482887-C002123.19-
4-Pyridoxic acid4-Pyridoxic acidME483119-C008473.23-
2',4'-Dihydroxyacetophenone2',4'-DihydroxyacetophenoneME483113-C036633.26-
Vanillylmandelic acidVanillylmandelic acidME483125-C055843.26-
UBRM_3.28_244.1415-ME483143--3.28-
Itaconic acidItaconic acidME482999-C004903.35-
cGMP3',5' cyclic GMPME482886-C009423.48-
XanthosineXanthosineME482884-C017623.49-
KynurenineKynurenineME482881-C003283.51-
cAMP3',5' cyclic AMPME482885-C005753.52-
2-Amino-6-(benzylthio)purine-ME482907--3.67-
UBRM_3.71_609.2719-ME483146--3.71-
3-Methoxy-4-hydroxyphenylethylene glycolVanylglycolME483130-C055943.75-
UBRM_3.8_439.2038-ME483147--3.8-
L-PhenylalaninePhenylalanineME483126-C000793.85-
ThymidineThymidineME482890-C002143.88-
Ethylmalonic acidEthylmalonic acidME483003--3.89-
3,4-Dihydroxyphenyl ethanol (DOPET)-ME483099--4.11-
Phenylacetic acidPhenylacetic acidME483111-C070864.11-
UBRM_4.28_278.1259-ME483144--4.28-
UBRM_4.3_1250.5456-ME483154--4.3-
3,4-Dihydroxybenzoic acidProtocatechuic acidME483087-C002304.37-
Pantothenic AcidPantothenic acidME483136-C008644.38-
1-Methyladenosine1-MethyladenosineME482905-C024944.41-
Dihydroxyphenylacetic acid3,4-Dihydroxybenzeneacetic acidME483116-C011614.42-
SuccinylacetoneSuccinylacetoneME483067--4.45-
mono-Ethyl malonateMonoethyl malonic acidME483002--4.48-
3-Hydroxybenzyl alcohol3-Hydroxybenzyl alcoholME483094-C033514.59-
D-TryptophanD-TryptophanME482900-C005254.59-
L-TryptophanTryptophanME482899-C000784.59-
Gentisic acidGentisic acidME483088-C006284.67-
3-Hydroxyanthranilic acid3-Hydroxyanthranilic acidME483091-C006324.68-
3-Methylglutaric acidMethylglutaric acidME483017--4.73-
4-Hydroxyphenyllactic acid4-Hydroxyphenyllactic acidME483123--4.82-
Phenyl acetatePhenyl acetateME483110-C005484.82-
Acetyl-L-tyrosine-ME482903--4.95-
2-(4-Hydroxyphenyl)ethanol (tyrosol)TyrosolME483098-C060444.96-
4-Hydroxybenzoic acid4-Hydroxybenzoic acidME483084--5.01-
Indoxylsulfuric acidIndoxyl sulfateME483109--5.05-
5-Hydroxyindoleacetic acid5-Hydroxyindoleacetic acidME482898-C056355.06-
N-Acetyl-DL-methionineN-AcetylmethionineME483072--5.06-
3-Methyl-2-oxovaleric acid3-Methyl-2-oxovaleric acidME483014-C006715.16-
p-Hydroxyphenylacetic acid4-Hydroxyphenylacetic acidME483112-C006425.16-
KetoleucineKetoleucineME483016-C002335.18-
TheophyllineTheophyllineME483093-C071305.23-
2,5-DihydroxybenzaldehydeGentisate aldehydeME483086-C055855.25-
Kynurenic acidKynurenic acidME482896-C017175.29-
N-AcetylserotoninN-AcetylserotoninME482908-C009785.32-
5'-Deoxy-5'-(methylthio)adenosine5'-MethylthioadenosineME482904-C001705.33-
p-Salicylic acid4-Hydroxybenzoic acidME483081-C001565.37-
Folic acidFolic acidME482927-C005045.4-
Dihydrofolic acidDihydrofolic acidME482928-C004155.42-
Monomethyl glutaric acidMonomethyl glutaric acidME483018--5.48-
4-Methyl-2-oxovaleric acidKetoleucineME483015-C002335.49-
3-Hydroxyphenylacetic acid3-Hydroxyphenylacetic acidME483114-C055935.5-
Hippuric acidHippuric acidME483138-C015865.57-
m-Salicylic acid3-Hydroxybenzoic acidME483082-C005875.78-
5,6-DimethylbenzimidazoleDimethylbenzimidazoleME483120-C031145.86-
3-Hydroxybenzaldehyde3-HydroxybenzaldehydeME483078-C030675.95-
4-Hydroxybenzaldehyde4-HydroxybenzaldehydeME483080-C006335.95-
Pimelic acidPimelic acidME483070-C026565.96-
Homovanillic acidHomovanillic acidME483122-C055825.98-
D-BiotinBiotinME482893-C001206-
2-Hydroxyphenylacetic acid2-Hydroxyphenylacetic acidME483115-C058526.1-
Flavin adenine dinucleotide (FAD)FADME482937-C000166.1-
Caffeic AcidCaffeic acidME483137-C014816.18-
UBRM_6.35_282.0964-ME483149--6.35-
Riboflavin (Vitamin B2)RiboflavinME482924-C002556.46-
4-Methylcatechol4-MethylcatecholME483095-C067306.49-
Acetyl-L-LeucineN-AcetylleucineME483104--6.71-
ferulic acidtrans-Ferulic acidME482880-C014946.89-
Fumaryl acetone-ME483085--6.92-
Salicylic acidSalicylic acidME483083-C008056.92-
N-Acetyl-DL-tryptophanN-Acetyl-tryptophanME482918--6.97-
N-Acetyl-L-phenylalanineN-AcetylphenylalanineME482902--6.97-
Suberic acidSuberic acidME483103-C082787.2-
3-(2-Hydroxyphenyl)propionic acid3-(2-Hydroxyphenyl)propanoic acidME483121-C011987.23-
Rosmarinic AcidRosmarinic acidME482925-C018507.37-
3-Indoleacetic AcidIndoleacetic acidME482897-C009547.38-
Benzoic acidBenzoic acidME483079-C001807.73-
Methyl vanillateMethyl vanillateME483124--7.85-
Methyl N-(a-methylbutyryl)glycineAzelaic acidME483135-C082618.21-
AllotetrahydrocortisolAllotetrahydrocortisolME482931--9.09-
Sorbic acidSorbic acidME483060--9.16-
10-hydroxy capric acid10-Hydroxydecanoic acidME482895-C027749.19-
CortisolCortisolME482930-C007359.33-
Diethyl fumarate-ME483101--9.59-


Analysis: Reversed phase POSITIVE ION MODE

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
SpermidineSpermidineME483350-C003150.909-
N1-AcetylspermineN1-AcetylspermineME483192-C025670.943-
PutrescinePutrescineME483223-C001340.982-
L-HistidinolL-HistidinolME483293-C008600.999-
CadaverineCadaverineME483259-C016721.001-
AgmatineAgmatineME483260-C001791.005-
HistamineHistamineME483273-C003881.006-
12-Hydroxydodecanoic acid12-Hydroxy lauric acidME483191-C0831710.523-
L-LysineLysineME483324-C000471.072-
D-OrnithineD-OrnithineME483253-C005151.076-
CarnosineCarnosineME483391-C003861.081-
Hydroxylysine5-HydroxylysineME483325-C012111.082-
L-OrnithineOrnithineME483254-C000771.085-
L-HistidineHistidineME483341-C001351.092-
L-AnserineAnserineME483167-C012621.098-
Glycocholic AcidGlycocholic acidME483204-C0192111.039-
L-ArginineArginineME483326-C000621.104-
GlucosamineGlucosamineME483315-C003291.117-
1-methylhistidine1-MethylhistidineME483343-C011521.124-
D-GalactosamineGalactosamineME483316-C022621.126-
desoxycorticosterone acetateDeoxycorticosterone acetateME483201-C1455411.263-
DiethanolamineDiethanolamineME483222-C067721.14-
S-(5-ADENOSYL)-L-METHIONINE-ME483194--1.144-
Cholic acidCholic acidME483202-C0069511.606-
?-Aminobutryic acidgamma-Aminobutyric acidME483241-C003341.179-
5(d)-Aminolevulinic Acid5-Amino-levulinic acidME483275-C004301.208-
L-CystathionineCystathionineME483347-C022911.209-
CreatinineCreatinineME483230-C007911.211-
D-Glucosamine 6-phosphateGlucosamine 6-phosphateME483327-C003521.218-
CarnitineCarnitineME483349-C003181.228-
Norepinephrine (noradrenaline)Xi-NorepinephrineME483368-C005471.23-
UBRM_1.23_287.1583-ME483404--1.23-
GlycineGlycineME483206-C000371.234-
L-CystineCystineME483299-C004911.234-
L-SerineSerineME483216-C000651.246-
2-Aminoethylphosphonic acidCiliatineME483209-C035571.249-
O-PhosphorylethanolaminePhosphoethanolamineME483210-C003461.25-
Glucosaminic acidGlucosaminic acidME483317-C037521.251-
L-AsparagineAsparagineME483235-C001521.253-
N-Methylhistamine1-MethylhistamineME483292--1.257-
GlutamineGlutamineME483246-C000641.262-
L-AlanineAlanineME483213-C000411.264-
D-MANNOSAMINE2-Amino-2-deoxy-D-mannoseME483314--1.267-
TaurineTaurineME483208-C002451.267-
DL-HomoserineHomoserineME483242-C002631.271-
L-Aspartic AcidAspartic acidME483232-C000491.276-
D-Aspartic acidD-Aspartic acidME483233-C004021.278-
HypotaurineHypotaurineME483207-C005191.284-
myo-InositolMyo-inositolME483303-C001371.286-
CitrullineCitrullineME483311-C003271.289-
DL-3-amino-isobutanoic acid3-Aminoisobutanoic acidME483240-C051451.289-
L-ThreonineThreonineME483243-C001881.29-
AllothreonineAllothreonineME483244-C055191.291-
cis-4-Hydroxy-D-prolinecis-4-Hydroxy-D-prolineME483276-C034401.291-
Imidazoleacetic acidImidazoleacetic acidME483265-C028351.291-
1-Aminocyclopropane-1-carboxylic acid1-Aminocyclopropanecarboxylic acidME483231-C012341.295-
L-GlutamateGlutamic acidME483278-C000251.299-
UBRM_1.3_202.0956-ME483401--1.3-
SarcosineSarcosineME483214-C002131.304-
D-Mannose 6-phosphateMannose 6-phosphateME483320-C002751.315-
N-Methyl-D-aspartic acidN-Methyl-D-aspartic acidME483279-C122691.315-
DulcitolGalactitolME483328-C016971.317-
CreatineCreatineME483239-C003001.321-
DihydrouracilDihydrouracilME483228-C004291.321-
Guanidinosuccinic AcidGuanidinosuccinic acidME483274-C031391.325-
D-Glucuronic acidGlucuronic acidME483290-C001911.328-
D-GalactoseGalactoseME483308-C001241.329-
LactoseLactoseME483185-C002431.33-
a-D-Galactose 1-phosphateGalactose 1-phosphateME483319-C004461.334-
AcetoinAcetoinME483238-C008101.339-
Homocysteine thiolactoneL-Homocysteine thiolactoneME483234--1.339-
a-D-GlucoseGlucoseME483305-C002671.342-
MelibioseMelibioseME483187-C054021.343-
L-CysteineCysteineME483215-C000971.345-
D-MannitolMannitolME483329-C003921.347-
N-Methyl-L-glutamateN-Methyl-glutamic acidME483298-C010461.348-
D-(+)-MannoseMannoseME483304-C001591.349-
D-SorbitolSorbitolME483330-C007941.349-
AlloseAlloseME483306-C014871.351-
L-(-)SorboseSorboseME483302-C002471.353-
L-(-)-ArabitolL-ArabitolME483258-C032911.356-
XylitolXylitolME483256-C003791.357-
D-TagatoseD-TagatoseME483307-C007951.361-
RibitolRibitolME483257-C004741.364-
Gluconic acidGluconic acidME483310-C002571.365-
Dehydroascorbic acidL-Dehydroascorbic acidME483335-C004251.367-
a,a-TrehaloseTrehaloseME483184-C010831.368-
D-(-)-LyxoseLyxoseME483250-C004761.368-
D-(+)-XyloseXyloseME483249-C001811.369-
ErythritolErythritolME483221-C005031.372-
4-Hydroxy-L-phenylglycine4-HydroxyphenylglycineME483379-C123231.374-
D-Erythrose 4-phosphateErythrose 4-phosphateME483245-C002791.374-
N-AcetylputrescineN-AcetylputrescineME483323-C027141.374-
L-2-Aminoadipic acidAminoadipic acidME483297-C009561.375-
GulonolactoneL-GulonolactoneME483289-C010401.38-
MaltoseMaltoseME483188-C002081.38-
UBRM_1.38_260.1007-ME483411--1.38-
D-Glucose 6-phosphateGlucose 6-phosphateME483318-C000921.386-
3-Sulfino-L-alanine3-Sulfino-alanineME483217-C006061.387-
D-(+)-CellobioseCellobioseME483190--1.387-
StachyoseStachyoseME483203-C016131.387-
Guanidineacetic acidGuanidoacetic acidME483212-C005811.388-
5-Methylcytosine5-MethylcytosineME483267-C023761.391-
N-Acetyl-ß-D-mannosamineN-Acetyl-mannosamineME483371--1.394-
a-D-Glucose 1-phosphateGlucose 1-phosphateME483322-C001031.397-
TrigonellineTrigonellineME483354-C010041.397-
GlyceraldehydeGlyceraldehydeME483211-C021541.399-
D-PSICOSEPsicoseME483309--1.4-
D-Fructose 6-phosphateFructose 6-phosphateME483321-C000851.404-
PalatinosePalatinoseME483189-C017421.404-
D-RiboseRiboseME483251-C001211.408-
HomocystineHomocystineME483374-C018171.418-
PhosphocreatinePhosphocreatineME483220-C023051.418-
D-Saccharic acidGlucaric acidME483291-C008181.423-
Glyceryl phosphatesn-Glycero-3-phosphateME483218-C000931.426-
O-AcetylserineO-AcetylserineME483280-C009791.426-
2-Deoxyglucose2-Deoxy-glucoseME483300--1.428-
UBRM_1.43_250.1063-ME483412--1.43-
GlucuronolactoneGlucuronolactoneME483339-C026701.432-
S-(Carboxymethyl)-L-cysteineS-Carboxymethyl-cysteineME483282-C037271.434-
SucroseSucroseME483186-C000891.439-
N-Acetyl-D-galactosamineN-Acetyl-D-galactosamineME483373-C011321.44-
a-N-AcetylglucosamineN-AcetylhexosamineME483372-C027111.442-
CytosineCytosineME483226-C003801.444-
RaffinoseRaffinoseME483196-C004921.446-
Glycerol 2-phosphatesn-Glycero-2-phosphateME483219-C029791.447-
CytidineCytidineME483388-C004751.449-
N-Acetylneuraminic AcidN-Acetylneuraminic acidME483179-C002701.466-
Quinic acidQuinic acidME483346-C002961.469-
UBRM_1.47_228.1112-ME483413--1.47-
METHYL BETA-D-GALACTOSIDEMethyl beta-D-galactosideME483348--1.56-
6-Deoxy-L-galactoseD-FucoseME483301-C010191.569-
DeoxycytidineDeoxycytidineME483387-C008811.583-
N-ALPHA-ACETYL-L-ASPARAGINEN-AcetylasparagineME483283--1.606-
NormetanephrineNormetanephrineME483390-C055891.606-
L-Ascorbic acidVitamin CME483338-C000721.608-
UBRM_1.62_172.0855-ME483398--1.62-
IsocitrateIsocitric acidME483340-C003111.625-
AdenineAdenineME483263-C001471.642-
DopamineDopamineME483367-C037581.663-
N-Acetyl-DL-serineN-AcetylserineME483281--1.674-
L-Pipecolic acidPipecolic acidME483295-C004081.678-
UBRM_1.68_342.1566-ME483408--1.68-
DL-pipecolic acidPipecolic acidME483294-C004081.685-
3-Methyladenine3-MethyladenineME483336-C009131.703-
3-Ureidopropionic acidUreidopropionic acidME483236-C026421.717-
Glycylprolylhydroxyproline-ME483183--1.737-
L-DopaDOPAME483384-C003551.768-
Picolinic acidPicolinic acidME483333-C101641.786-
UracilUracilME483225-C001061.811-
UBRM_1.84_174.1004-ME483399--1.84-
L-MethionineMethionineME483252-C000731.852-
Methylmalonic acidMethylmalonic acidME483229-C021701.855-
UBRM_1.86_230.1276-ME483402--1.86-
Maleamic acidMaleamateME483227-C015961.87-
UBRM_1.87_307.1174-ME483409--1.87-
MaleimideMaleimideME483224-C072721.873-
N-acetylaspartateN-Acetylaspartic acidME483342-C010421.893-
HypoxanthineHypoxanthineME483261-C002622.065-
Prephenic acidPrephenic acidME483156-C002542.097-
Niacin (Nicotinic acid)Nicotinic acidME483332-C002532.111-
2,3-Pyridinedicarboxylic acidQuinolinic acidME483351-C037222.117-
Pyroglutamic acidPyroglutamic acidME483268-C018792.119-
salsolinolSalsolinolME483164-C096422.153-
2-Aminophenol2-AminophenolME483337-C019872.162-
L-TyrosineTyrosineME483383-C000822.169-
3-Hydroxy-DL-kynurenineHydroxykynurenineME483158-C027942.193-
N-Acetyl-L-glutamic acidN-Acetyl-mannosamineME483344-C006242.262-
UridineUridineME483385-C002992.262-
XanthineXanthineME483262-C003852.266-
TyramineTyramineME483365-C004832.291-
Citramalic acidCitramalic acidME483272-C008152.412-
3-Amino-4-hydroxybenzoic acid3-Amino-4-hydroxybenzoic acidME483357-C121152.43-
AHBA3-Amino-5-hydroxybenzoic acidME483355-C121072.43-
L-IsoleucineIsoleucineME483312-C004072.547-
N-Acetyl-L-alanineN-AcetylalanineME483277-C006242.578-
L-LeucineLeucineME483313-C001232.736-
PterinePterinME483331-C007152.826-
InosineInosineME483159-C002942.956-
2-Amino-1-Phenylethanol2-HydroxyphenethylamineME483366-C027353.024-
2-hydroxypyridine2-HydroxypyridineME483264--3.114-
(±)-MevalonolactoneMevalonolactoneME483284--3.125-
3-O-Methyl-L-DOPA-ME483165--3.129-
4-acetamidobutanoate4-Acetamidobutanoic acidME483296-C029463.142-
3-Methoxytyramine3-MethoxytyramineME483389-C055873.197-
Vanillylmandelic acidVanillylmandelic acidME483381-C055843.218-
4-Pyridoxic acid4-Pyridoxic acidME483380-C008473.219-
4-Quinolinecarboxylic acid4-Quinolinecarboxylic acidME483170-C064143.229-
UBRM_3.23_244.1423-ME483403--3.23-
DeoxyadenosineDeoxyadenosineME483163-C005593.404-
Itaconic acidItaconic acidME483266-C004903.444-
cAMP3',5' cyclic AMPME483161-C005753.474-
XanthosineXanthosineME483160-C017623.493-
KynurenineKynurenineME483157-C003283.505-
2-Amino-6-(benzylthio)purine-ME483182--3.58-
UBRM_3.72_609.2743-ME483406--3.72-
3-Methoxy-4-hydroxyphenylethylene glycolVanylglycolME483386-C055943.729-
UBRM_3.79_439.2055-ME483407--3.79-
Ethylmalonic acidEthylmalonic acidME483271--3.825-
L-PhenylalaninePhenylalanineME483382-C000793.881-
ThymidineThymidineME483166-C002143.96-
3,4-Dihydroxyphenyl ethanol (DOPET)-ME483363--4.01-
5'-Deoxyadenosine5'-DeoxyadenosineME483162-C051984.127-
PhenylethylaminePhenylethylamineME483364-C053324.163-
UBRM_4.24_278.1267-ME483400--4.24-
3,4-Dihydroxybenzoic acidProtocatechuic acidME483353-C002304.312-
UBRM_4.32_1250.5524-ME483415--4.32-
Pantothenic AcidPantothenic acidME483393-C008644.337-
1-Methyladenosine1-MethyladenosineME483178-C024944.389-
Hydroxyhippuric acidHydroxyhippuric acidME483397--4.43-
Dihydroxyphenylacetic acid3,4-Dihydroxybenzeneacetic acidME483378-C011614.432-
Methyl acetoacetateMethylacetoacetic acidME483269--4.464-
TheobromineTheobromineME483360-C074804.547-
mono-Ethyl malonateMonoethyl malonic acidME483270--4.6-
L-TryptophanTryptophanME483175-C000784.603-
Adipic acidAdipic acidME483288-C061044.615-
3-Hydroxyanthranilic acid3-Hydroxyanthranilic acidME483356-C006324.617-
UBRM_4.63_777.3609-ME483405--4.63-
PyrocatecholPyrocatecholME483334-C000904.698-
3-Methylglutaric acidMethylglutaric acidME483286--4.711-
2-Methylglutaric acid2-Methylglutaric acidME483287--4.744-
Acetyl-L-tyrosine-ME483176--4.803-
R-(-)-Mandelic acidMandelic acidME483376-C019844.852-
2-(4-Hydroxyphenyl)ethanol (tyrosol)TyrosolME483362-C060444.881-
2-hydroxy-4- (methylthio) butyric acid2-Hydroxy-4-(methylthio)butanoic acidME483248--4.924-
5-Hydroxyindoleacetic acid5-Hydroxyindoleacetic acidME483173-C056355.015-
ParaxanthineParaxanthineME483359-C137475.027-
Xanthurenic acidXanthurenic acidME483172-C024705.029-
KetoleucineKetoleucineME483285-C002335.152-
TheophyllineTheophyllineME483358-C071305.226-
Kynurenic acidKynurenic acidME483171-C017175.313-
p-Hydroxyphenylacetic acid4-Hydroxyphenylacetic acidME483375-C006425.314-
5'-Deoxy-5'-(methylthio)adenosine5'-MethylthioadenosineME483177-C001705.335-
Hippuric acidHippuric acidME483396-C015865.476-
3-Hydroxyphenylacetic acid3-Hydroxyphenylacetic acidME483377-C055935.694-
m-Salicylic acid3-Hydroxybenzoic acidME483352-C005875.702-
Quinaldic acidQuinaldic acidME483169-C063255.751-
UBRM_5.79_1540.7517-ME483414--5.79-
Pimelic acidPimelic acidME483345-C026565.903-
Flavin adenine dinucleotide (FAD)FADME483205-C000165.966-
CaffeineCaffeineME483361-C074815.967-
3-(3-Indolyl)-2-oxopropanoic acidIndolepyruvateME483180-C003316.003-
Indole-3-acetamide1H-Indole-3-acetamideME483155-C026936.035-
Caffeic AcidCaffeic acidME483395-C014816.168-
UBRM_6.31_282.0983-ME483410--6.31-
Riboflavin (Vitamin B2)RiboflavinME483195-C002556.495-
p-Coumaric acidcis-p-Coumaric acidME483394-C008116.679-
5-Methoxyindoleacetate5-Methoxyindoleacetic acidME483174-C056606.77-
N-Acetyl-DL-tryptophanN-Acetyl-tryptophanME483193--7.023-
Suberic acidSuberic acidME483370-C082787.096-
Methyl N-(a-methylbutyryl)glycineAzelaic acidME483392-C082618.124-
LumichromeLumichromeME483181-C017278.308-
ButanalButanalME483237-C014128.759-
AllotetrahydrocortisolAllotetrahydrocortisolME483200--9.166-
10-hydroxy capric acid10-Hydroxydecanoic acidME483168-C027749.269-
CortisolCortisolME483199-C007359.27-
Valeric acidValeric acidME483247-C008039.487-
Diethyl fumarate HT-1-ME483369--9.579-
CorticosteroneCorticosteroneME483198-C021409.9-
Cortexolone11-DeoxycortisolME483197-C054889.98-
BetaineBetaineME483255-C00719--


Analysis: Normal phase NEGATIVE ION MODE

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
Resorcinol monoacetateResorcinol monoacetateME483417-C120641.49-
3-Hydroxybenzaldehyde3-HydroxybenzaldehydeME483416-C030671.57-
3-Hydroxyanthranilic acid3-Hydroxyanthranilic acidME483493-C006321.6-
5-Hydroxyindoleacetic acid5-Hydroxyindoleacetic acidME483491-C056351.64-
3-Methyl-2-oxovaleric acid3-Methyl-2-oxovaleric acidME483436-C006711.66-
4-Hydroxyphenyllactic acid4-Hydroxyphenyllactic acidME483522--1.67-
PyrocatecholPyrocatecholME483429-C000901.67-
10-hydroxy capric acid10-Hydroxydecanoic acidME483444-C027741.68-
12-Hydroxydodecanoic acid12-Hydroxy lauric acidME483483-C083171.68-
Phenylpyruvic acidPhenylpyruvic acidME483440-C001661.68-
2-Hydroxyphenylacetic acid2-Hydroxyphenylacetic acidME483514-C058521.69-
Homogentisic acidHomogentisic acidME483466-C005441.74-
Methyl N-(a-methylbutyryl)glycineAzelaic acidME483430-C082611.74-
Salicylic acidSalicylic acidME483527-C008051.74-
1-Hydroxy-2-naphthoic acid1-Hydroxy-2-naphthoateME483541-C032031.75-
3-Methyloxindole3-MethyloxindoleME483439-C023661.75-
CortisoneCortisoneME483490-C007621.75-
LumichromeLumichromeME483421-C017271.75-
N6-(DELTA2-ISOPENTENYL)-ADENINEN6-IsopentenyladenineME483450--1.75-
2-hydroxy-4- (methylthio) butyric acid2-Hydroxy-4-(methylthio)butanoic acidME483473--1.76-
4-Methylcatechol4-MethylcatecholME483467-C067301.76-
5,6-DimethylbenzimidazoleDimethylbenzimidazoleME483504-C031141.76-
Caffeic AcidCaffeic acidME483458-C014811.77-
2-Aminophenol2-AminophenolME483545-C019871.78-
3-Amino-4-hydroxybenzoic acid3-Amino-4-hydroxybenzoic acidME483441-C121151.78-
2,3-Dihydroxybenzoic acid2-Pyrocatechuic acidME483455-C001961.8-
Pimelic acidPimelic acidME483424-C026561.81-
Chenodeoxycholic AcidChenodeoxycholic acidME483471-C025281.82-
6-Methylmercaptopurine6-MethylthiopurineME483484-C166141.83-
N-Acetyl-L-phenylalanineN-AcetylphenylalanineME483446--1.83-
p-Coumaric acidcis-p-Coumaric acidME483534-C008111.85-
Suberic acidSuberic acidME483482-C082781.85-
3-Methylglutaric acidMethylglutaric acidME483516--1.86-
Acetyl-L-LeucineN-AcetylleucineME483427--1.87-
2-hydroxy-butanoic acid2-Hydroxybutyric acidME483510-C059842.44-
N-Acetyl-L-alanineN-AcetylalanineME483549-C006243.31-
Vanillylmandelic acidVanillylmandelic acidME483494-C055843.47-
Succinic acidSuccinic acidME483422-C000423.52-
Oxoadipic acidOxoadipic acidME483457-C003223.66-
4-acetamidobutanoate4-Acetamidobutanoic acidME483454-C029463.67-
Methylmalonic acidMethylmalonic acidME483487-C021703.68-
3-hydroxy-3-methyl-Glutaric acid3-Hydroxymethylglutaric acidME483481-C037613.77-
Aceturic acidN-AcetylglycineME483492--3.82-
2-METHYLMALEATECitraconic acidME483478--3.95-
Pyroglutamic acidPyroglutamic acidME483551-C018794.03-
Pantothenic AcidPantothenic acidME483432-C008644.05-
Rosmarinic AcidRosmarinic acidME483447-C018504.06-
3-Dehydroshikimic acid3-DehydroshikimateME483453-C026374.07-
Pyridoxal (Vitamin B6)PyridoxalME483524-C002504.07-
Glyceric acidGlyceric acidME483470-C002584.1-
LumazineLumazineME483474--4.1-
DL-3,4-Dihydroxyphenyl glycol3,4-DihydroxyphenylglycolME483452-C055764.13-
Indoxylsulfuric acidIndoxyl sulfateME483475--4.14-
Citramalic acidCitramalic acidME483449-C008154.15-
DL-3,4-Dihydroxymandelic acid3,4-Dihydroxymandelic acidME483537-C055804.18-
N-Acetyl-DL-serineN-AcetylserineME483544--4.18-
1,2-DIPALMITOYL-RAC-GLYCERO-3-PHOSPHOETHANOLAMINE-ME483496--4.3-
N-Acetyl-L-glutamic acidN-Acetyl-mannosamineME483428-C006244.32-
Maleic acidMaleic acidME483423-C013844.33-
6-Hydroxynicotinic acid6-Hydroxynicotinic acidME483480-C010204.35-
D-(+)-Malic acidD-Malic acidME483520-C004974.4-
Glycocholic AcidGlycocholic acidME483472-C019214.42-
trans-Aconitatetrans-Aconitic acidME483463-C023414.46-
N-acetylaspartateN-Acetylaspartic acidME483552-C010424.48-
salsolinolSalsolinolME483451-C096424.51-
GulonolactoneL-GulonolactoneME483459-C010404.74-
N-ALPHA-ACETYL-L-ASPARAGINEN-AcetylasparagineME483464--4.74-
Urocanic acidUrocanic acidME483418-C007854.8-
Kynurenic acidKynurenic acidME483476-C017174.9-
DeoxyadenosineDeoxyadenosineME483546-C005595-
Shikimic acidShikimic acidME483434-C004935.01-
DopamineDopamineME483488-C037585.11-
Xanthurenic acidXanthurenic acidME483508-C024705.11-
CreatinineCreatinineME483511-C007915.12-
?-Aminobutryic acidgamma-Aminobutyric acidME483495-C003345.36-
XanthineXanthineME483528-C003855.36-
AllantoinAllantoinME483548-C015515.4-
(-)-EpinephrineEpinephrineME483486-C007885.4-
2-hydroxypyridine2-HydroxypyridineME483435--5.57-
InosineInosineME483506-C002945.6-
XylitolXylitolME483543-C003795.61-
L-IsoleucineIsoleucineME483533-C004075.65-
Riboflavin (Vitamin B2)RiboflavinME483540-C002555.66-
L-PhenylalaninePhenylalanineME483521-C000795.81-
Quinic acidQuinic acidME483539-C002965.88-
XanthosineXanthosineME483437-C017625.88-
DeoxyguanosineDeoxyguanosineME483547-C003305.94-
NitrotyrosineNitrotyrosineME483515--6-
Folic acidFolic acidME483509-C005046.03-
1-Methyladenosine1-MethyladenosineME483442-C024946.1-
N-Acetyl-ß-D-mannosamineN-Acetyl-mannosamineME483538--6.1-
AcetyllysineN(2)-AcetyllysineME483445-C129896.12-
a-N-AcetylglucosamineN-AcetylhexosamineME483535-C027116.18-
D-MannitolMannitolME483526-C003926.35-
SarcosineSarcosineME483420-C002136.4-
Guanidinosuccinic AcidGuanidinosuccinic acidME483513-C031396.43-
5-Hydroxytryptophan5-Hydroxy-tryptophanME483465-C006436.44-
GuanosineGuanosineME483426-C003876.46-
D-(+)-MannoseMannoseME483460-C001596.48-
N-Methyl-L-glutamateN-Methyl-glutamic acidME483525-C010466.53-
Uric acidUric acidME483529-C003666.58-
Gluconic acidGluconic acidME483489-C002576.62-
L-2-Aminoadipic acidAminoadipic acidME483425-C009566.63-
a-D-GlucoseGlucoseME483477-C002676.65-
D-Glucuronic acidGlucuronic acidME483523-C001916.67-
TaurineTaurineME483419-C002456.72-
L-ThreonineThreonineME483532-C001886.8-
L-GlutamateGlutamic acidME483499-C000256.83-
4-Hydroxy-L-prolinecis-4-HydroxyprolineME483456-C010156.87-
GlutathioneGlutathioneME483530-C000516.97-
GlutamineGlutamineME483498-C000647.12-
L-Aspartic AcidAspartic acidME483497-C000497.14-
L-AsparagineAsparagineME483531-C001527.34-
SucroseSucroseME483503-C000897.45-
S-AdenosylhomocysteineS-AdenosylhomocysteineME483550-C000217.7-
L-Methionine sulfoximineMethionine sulfoximineME483443-C035107.73-
PalatinosePalatinoseME483433-C017427.8-
cAMP3',5' cyclic AMPME483512-C005757.81-
LactoseLactoseME483519-C002437.87-
2',3'-Cyclic CMP2',3' cyclic CMPME483518-C023548.06-
HomocystineHomocystineME483468-C018178.16-
Hydroxylysine5-HydroxylysineME483431-C012118.16-
L-LysineLysineME483500-C000478.25-
myo-InositolMyo-inositolME483542-C001378.27-
Cysteic acidCysteic acidME483479-C005068.29-
cGMP3',5' cyclic GMPME483536-C009428.35-
MelibioseMelibioseME483505-C054028.45-
Adenosine5'-monophosphateAMPME483438-C000208.57-
L-CystathionineCystathionineME483501-C022918.69-
5'-CMPCMPME483517-C000558.76-
RaffinoseRaffinoseME483485-C004928.77-
L-CystineCystineME483502-C004918.87-
Uridine monophosphate (UMP)UMPME483507-C001059.08-
StachyoseStachyoseME483469-C016139.29-
D-Glucosamine 6-phosphateGlucosamine 6-phosphateME483461-C003529.34-
D-Mannose 6-phosphateMannose 6-phosphateME483462-C002759.4-
a-D-Galactose 1-phosphateGalactose 1-phosphateME483448-C004469.71-


Analysis: Normal phase POSITIVE ION MODE

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
(+)-a-Tocopherolalpha-TocopherolME483647-C024771.15-
desoxycorticosterone acetateDeoxycorticosterone acetateME483629-C145541.37-
Retinoic acidRetinoic acidME483584-C007771.38-
Deoxycholic acidDeoxycholic acidME483683-C044831.57-
TryptamineTryptamineME483655-C003981.58-
Indole-3-acetamide1H-Indole-3-acetamideME483690-C026931.63-
3-(3-Indolyl)-2-oxopropanoic acidIndolepyruvateME483597-C003311.64-
CaffeineCaffeineME483639-C074811.69-
3-Indoleacetic AcidIndoleacetic acidME483689-C009541.7-
Hippuric acidHippuric acidME483606-C015861.71-
3-(2-Hydroxyphenyl)propionic acid3-(2-Hydroxyphenyl)propanoic acidME483607-C011981.74-
MG(18:1(9Z)/0:0/0:0)[rac]-ME483557--1.74-
MelatoninMelatoninME483682-C015981.75-
Pimelic acidPimelic acidME483558-C026561.75-
CorticosteroneCorticosteroneME483610-C021401.76-
Indole-3-methyl acetateIndole-3-methyl acetateME483573--1.76-
5-Valerolactone5-ValerolactoneME483625-C022401.77-
Cortisol 21-acetateCortisol 21-acetateME483599-C028211.77-
N6-(DELTA2-ISOPENTENYL)-ADENINEN6-IsopentenyladenineME483579--1.77-
N,N-Dimethyl-1,4-phenylenediamineN,N-Dimethyl-1,4-phenylenediamineME483698-C042031.77-
CortisoneCortisoneME483620-C007621.78-
PhylloquinonePhylloquinoneME483685-C020591.78-
QuinolineQuinolineME483691-C064131.78-
2-Aminophenol2-AminophenolME483692-C019871.79-
DodecanoylcarnitineCAR 12:0ME483582--1.79-
TyramineTyramineME483618-C004833.35-
3-Carboxypropyl trimethylammonium-ME483657--3.47-
N-Acetyl-DL-tryptophanN-Acetyl-tryptophanME483688--3.48-
NiacinamideNiacinamideME483696-C001533.49-
3-Methoxytyramine3-MethoxytyramineME483626-C055873.52-
ParaxanthineParaxanthineME483653-C137473.52-
D-BiotinBiotinME483644-C001203.71-
Pantothenic AcidPantothenic acidME483564-C008643.99-
Pyroglutamic acidPyroglutamic acidME483695-C018794.13-
Rosmarinic AcidRosmarinic acidME483576-C018504.18-
1,2-DIPALMITOYL-RAC-GLYCERO-3-PHOSPHOETHANOLAMINE-ME483630--4.2-
6-Hydroxynicotinic acid6-Hydroxynicotinic acidME483609-C010204.2-
L-?-PHOSPHATIDYLCHOLINE-ME483681--4.41-
5'-Deoxy-5'-(methylthio)adenosine5'-MethylthioadenosineME483581-C001704.43-
AdenineAdenineME483676-C001474.43-
N-Acetyl-L-glutamic acidN-Acetyl-mannosamineME483561-C006244.43-
Biliverdin IXBiliverdinME483559-C005004.53-
Glycocholic AcidGlycocholic acidME483604-C019214.58-
SerotoninSerotoninME483612-C007804.71-
CarnitineCarnitineME483624-C003184.72-
3-Methyladenine3-MethyladenineME483615-C009134.78-
SPHINGOMYELINSM 18:1;O2/18:0ME483686--4.79-
D-RiboseRiboseME483613-C001214.89-
N-ALPHA-ACETYL-L-ASPARAGINEN-AcetylasparagineME483598--4.91-
DeoxyadenosineDeoxyadenosineME483693-C005595.01-
Kynurenic acidKynurenic acidME483605-C017175.04-
AnilineAnilineME483658-C002925.05-
Xanthurenic acidXanthurenic acidME483646-C024705.1-
CreatinineCreatinineME483651-C007915.14-
(-)-EpinephrineEpinephrineME483616-C007885.15-
HypoxanthineHypoxanthineME483668-C002625.15-
4-Guanidinobutanoate4-Guanidinobutanoic acidME483602-C010355.22-
L-NorleucineNorleucineME483589-C019335.24-
PterinePterinME483577-C007155.31-
AdenosineAdenosineME483642-C002125.41-
XanthineXanthineME483669-C003855.49-
L-IsoleucineIsoleucineME483677-C004075.64-
L-MethionineMethionineME483661-C000735.66-
Riboflavin (Vitamin B2)RiboflavinME483684-C002555.77-
L-TryptophanTryptophanME483675-C000785.78-
InosineInosineME483643-C002945.79-
DihydrouracilDihydrouracilME483611-C004295.8-
HexylglutathioneS-Hexyl-glutathioneME483580-C028865.81-
NitrotyrosineNitrotyrosineME483656--5.89-
CytosineCytosineME483674-C003805.9-
KynurenineKynurenineME483592-C003285.91-
XanthosineXanthosineME483566-C017626-
Folic acidFolic acidME483648-C005046.02-
L-PhenylalaninePhenylalanineME483663-C000796.04-
ArabinoseArabinoseME483567--6.06-
GuanineGuanineME483678-C002426.1-
AcetyllysineN(2)-AcetyllysineME483575-C129896.11-
CreatineCreatineME483637-C003006.11-
SarcosineSarcosineME483556-C002136.12-
BetaineBetaineME483555-C007196.17-
1-Methyladenosine1-MethyladenosineME483570-C024946.22-
Guanidineacetic acidGuanidoacetic acidME483593-C005816.28-
2-Aminoisobutyric acidAminoisobutyric acidME483659-C036656.29-
L-TyrosineTyrosineME483650-C000826.3-
5-Hydroxytryptophan5-Hydroxy-tryptophanME483600-C006436.31-
DL-pipecolic acidPipecolic acidME483622-C004086.36-
Guanidinosuccinic AcidGuanidinosuccinic acidME483654-C031396.36-
GuanosineGuanosineME483560-C003876.43-
O-Succinyl-L-homoserineo-SuccinylhomoserineME483569-C011186.47-
N-Methyl-L-glutamateN-Methyl-glutamic acidME483667-C010466.55-
L-DopaDOPAME483649-C003556.59-
PyridoxaminePyridoxamineME483687-C005346.62-
Uric acidUric acidME483670-C003666.66-
N-Methylhistamine1-MethylhistamineME483666--6.71-
DL-HomoserineHomoserineME483574-C002636.78-
TaurineTaurineME483554-C002456.83-
L-GlutamateGlutamic acidME483633-C000256.88-
4-Hydroxy-L-prolinecis-4-HydroxyprolineME483587-C010156.96-
S-(Carboxymethyl)-L-cysteineS-Carboxymethyl-cysteineME483662-C037276.97-
N-Acetylneuraminic AcidN-Acetylneuraminic acidME483562-C002706.99-
GlutathioneGlutathioneME483671-C000517.14-
HistamineHistamineME483617-C003887.17-
L-Aspartic AcidAspartic acidME483631-C000497.2-
GlutamineGlutamineME483632-C000647.24-
HypotaurineHypotaurineME483583-C005197.27-
L-SerineSerineME483628-C000657.3-
Ne,Ne,Ne-TrimethyllysineN-6-TrimethyllysineME483627-C037937.3-
CitrullineCitrullineME483596-C003277.37-
L-AsparagineAsparagineME483672-C001527.44-
GlucosamineGlucosamineME483591-C003297.45-
L-AnserineAnserineME483553-C012627.47-
L-Methionine sulfoximineMethionine sulfoximineME483571-C035107.49-
1-methylhistidine1-MethylhistidineME483590-C011527.52-
S-AdenosylhomocysteineS-AdenosylhomocysteineME483694-C000217.63-
SucroseSucroseME483638-C000897.66-
cAMP3',5' cyclic AMPME483652-C005757.82-
D-(+)-CellobioseCellobioseME483619-,7.83-
L-LysineLysineME483634-C000477.86-
L-HistidineHistidineME483673-C001357.88-
CarnosineCarnosineME483586-C003867.92-
L-ArginineArginineME483679-C000627.98-
L-OrnithineOrnithineME483588-C000778.02-
2',3'-Cyclic CMP2',3' cyclic CMPME483660-C023548.08-
a,a-TrehaloseTrehaloseME483697-C010838.08-
S-(5-ADENOSYL)-L-METHIONINE-ME483572--8.26-
Hydroxylysine5-HydroxylysineME483563-C012118.28-
MelibioseMelibioseME483641-C054028.29-
cGMP3',5' cyclic GMPME483680-C009428.3-
Glucosaminic acidGlucosaminic acidME483594-C037528.3-
HomocystineHomocystineME483601-C018178.31-
Cysteic acidCysteic acidME483608-C005068.32-
Thiamine monophosphateThiamine monophosphateME483621-C010818.38-
phosphoenol pyruvatePhosphoenolpyruvic acidME483565-C000748.39-
Deoxyadenosine monophosphatedAMPME483665-C003608.46-
RaffinoseRaffinoseME483614-C004928.6-
Adenosine5'-monophosphateAMPME483568-C000208.64-
Diaminopimelic acidDiaminopimelic acidME483640-C006668.72-
Coenzyme Q10Coenzyme Q10ME483585-C113788.74-
L-CystathionineCystathionineME483635-C022918.74-
L-CystineCystineME483636-C004918.94-
Uridine monophosphate (UMP)UMPME483645-C001059.17-
D-Fructose 6-phosphateFructose 6-phosphateME483664-C002759.29-
StachyoseStachyoseME483603-C016139.41-
D-Mannose 6-phosphateMannose 6-phosphateME483595-C000859.45-
Nicotinamide adenine dinucleotide (NAD)NADME483623-C000039.61-
a-D-Galactose 1-phosphateGalactose 1-phosphateME483578-C004469.75-


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