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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
1,3-DIAMINOPROPANE1,3-DiaminopropaneME392167428-0.61375.09167433
1,5,6,7-TETRAHYDRO-4H-INDOL-4-ONE-ME392169280229-2.738136.0756899
1,5-ANHYDRO-GLUCITOL1,5-AnhydrosorbitolME39216864960-0.816165.0757495
1,6-ANHYDRO-B-GLUCOSEGlucosanME3921702724705-0.807163.0600994
1-AMINOCYCLOPROPANE-1-CARBOXYLIC ACID1-Aminocyclopropanecarboxylic acidME392161535-0.755102.0549545
1-METHYL-6,7-DIHYDROXY-1,2,3,4-TETRAHYDROISOQUINOL...SalsolinolME39216291588-1.461180.1019047
1-METHYLADENOSINE1-MethyladenosineME39216427476-2.115282.11968
1-METHYLGUANIDINEMethylguanidineME39216510111-0.72274.07127324
1-METHYL-HYDANTOINN-MethylhydantoinME39216369217-1.481115.0502034
1-METHYLNICOTINAMIDE1-Methyl nicotinamideME392166457-0.72137.0714879
2,4-DIHYDROXYPYRIMIDINE-5-CARBOXYLIC ACIDUracil-5-carboxylic acidME39218590301-1.399157.0243826
2-(4-HYDROXYPHENYL)PROPIONIC ACID4-Hydroxyphenyl-2-propionic acidME392171102526-3.693189.0522122
2,6-DIAMINOHEPTANEDIOIC ACID2,6-Diaminopimelic acidME392186439283-0.686191.1026329
2,6-DIMETHOXYBENZOIC ACID-ME39218715109-3.459183.0651848
2-AMINO-2-METHYLPROPANOIC ACID, 2-AMINOBUTYRIC ACI...-ME392172--0.793104.0706045
2-AMINOBENZOIC ACID2-Aminobenzoic acidME392173227-3.439138.0549545
(2-AMINOETHYL)PHOSPHONATECiliatineME392160339-0.72126.0314558
2-AMINOPHENOL2-AminophenolME3921745801-1.222110.0600398
2-FLUROPHENYLGLYCINE-ME3921755171030-1.105222222170.061176
2-HYDROXYHEXANEDIOIC ACID, 3-HYDROXY-3-METHYLGLUTA...-ME392176--1.678185.0420414
2-HYDROXYOCTANOIC ACID2-Hydroxyoctanoic acidME39217794180-5.024161.1172204
2-HYDROXYPHENYLACETIC ACID2-Hydroxyphenylacetic acidME39217811970-3.403153.0546201
2-HYDROXYPYRIDINE2-HydroxypyridineME3921798871-1.70396.04438978
2-METHYLBUTYRYLGLYCINE2-MethylbutyrylglycineME392180193872-2.753160.0968193
2-METHYLGLUTARIC ACID2-Methylglutaric acidME39218112046-2.739169.0471268
2-METHYLHIPPURIC ACID2-Methylhippuric acidME39218291637-3.377194.0811692
2-OXINDOLEIndolin-2-oneME392183321710-3.661134.0600398
2-QUINOLINECARBOXYLIC ACIDQuinaldic acidME3921847124-2.988174.0549545
3,3',4',7-TETRAHYDROXYFLAVONE-ME3922025378244-3.441301.0706641
3,5-DIMETHOXYPHENOL-ME39220310383-3.96155.0702702
3-AMINOSALICYLIC ACID3-Aminosalicylic acidME39218868443-1.399154.0498691
3-HEXENEDIOIC ACID3-Hexenedioic acidME3921895351896-2.486167.0314767
3-HYDROXY-2-METHYL-4-PYRONEMaltolME3921908369-2.595127.0389701
3-HYDROXYGLUTARIC ACID3-Hydroxyglutaric acidME392191181976-1.209171.0263914
3-HYDROXYPROPIONIC ACIDHydroxypropionic acidME39219268152-0.7691.03897005
3-METHOXYTYRAMINE3-MethoxytyramineME3921931669-1.688168.1019047
3-METHYLADENINE3-MethyladenineME392194135398661-0.829150.0774212
3-METHYLADIPIC ACID, PIMELIC ACID-ME392195--3.235161.0808349
3-METHYLCATECHOL-ME392196340-3.723125.0597055
3-METHYLGLUTACONIC ACID3E-Methylglutaconic acidME3921971551553-2.804167.0314767
3-METHYLHISTAMINE3-MethylhistamineME39219869520-0.621126.1025734
3-METHYLHISTIDINE3-MethylhistidineME39219964969-0.676170.0924026
3-NITRO-TYROSINENitrotyrosineME39220065124-2.214227.0662474
3-SULFINO-ALANINE3-Sulfino-alanineME3922011549098-0.77154.0168547
4-ACETAMIDOBUTANOIC ACID4-Acetamidobutanoic acidME39220418189-1.698146.0811692
4-ACETAMIDOPHENOLAcetaminophenME3922051983-2.346152.0706045
4-AMINOBUTANOIC ACIDgamma-Aminobutyric acidME392206119-0.722104.0706045
4-AMINOPHENOL4-AminophenolME392207403-0.788110.0600398
4-BROMO-PHENYLALANINEP-Bromo-DL-phenylalanineME392208671214-3.309333333243.996776
4-CHLORO-PHENYLALANINE-ME392209736190-3.084333333200.047276
4-GUANIDINOBUTANOIC ACID4-Guanidinobutanoic acidME392210500-0.832146.0924026
4-HYDROXYBENZALDEHYDE4-HydroxybenzaldehydeME392212126-3.171123.0440554
4-HYDROXYBENZOIC ACID4-Hydroxybenzoic acidME392213135-2.885139.0389701
4-HYDROXYPHENYL ACETIC ACID4-Hydroxyphenylacetic acidME392214127-2.989153.0546201
4-HYDROXY-PHENYLGLYCINE4-HydroxyphenylglycineME39221136143-0.774168.0655192
4-HYDROXYPROLINE, 5-AMINOLEVULINIC ACID-ME392215--0.733132.0655192
4-IMIDAZOLEACETIC ACIDImidazoleacetic acidME39221696215-0.813127.0502034
4-METHYLCATECHOL4-MethylcatecholME3922179958-3.223125.0597055
4-PYRIDOXIC ACID4-Pyridoxic acidME3922186723-1.703184.0604338
4-QUINOLINECARBOXYLIC ACID4-Quinolinecarboxylic acidME39221910243-1.685174.0549545
4-VINYL PHENOL4-HydroxystyreneME39222062453-3.912121.0647909
5,6-DIHYDRO THYMINEDihydrothymineME39223493556-1.67129.0658535
5,6-DIHYDROURACILDihydrouracilME392235649-1.115115.0502034
5-AMINOIMIDAZOLE-4-CARBOXAMIDE-1-BETA-RIBOFURANOSI...-ME39222117513-1.438259.1036956
5-AMINOIMIDAZOLE-4-CARBOXAMIDE-1-BETA-RIBOFURANOSY...AICAR-PME39222265110-0.822339.0700261
5-AMINOPENTANOIC ACID, VALINE-ME392223--0.854118.0862546
5-HYDROXYINDOLE5-HydroxyindoleME39222516054-2.721134.0600398
5-HYDROXYINDOLE-3-ACETIC ACID5-Hydroxyindoleacetic acidME3922261826-2.734192.0655192
5-HYDROXYLYSINE5-HydroxylysineME392227--0.649163.1077183
5-HYDROXYMETHYL-2-FURANCARBOXYLIC ACIDSumiki's acidME39222880642-2.212143.0338847
5-HYDROXY-TRYPTOPHAN5-Hydroxy-tryptophanME392224144-1.696221.0920683
5-METHOXY-3-INDOLEACETIC ACID5-Methoxyindoleacetic acidME39222918986-3.883206.0811692
5-METHOXYSALICYLIC ACID5-Methoxysalicylic acidME39223075787-4.275169.0495347
5-METHYLCYTOSINE5-MethylcytosineME39223165040-0.829126.0661879
5'-METHYLTHIOADENOSINE5'-MethylthioadenosineME392236439176-2.6298.0968364
5-METHYLURIDINERibothymidineME392232445408-1.741259.0924622
5-PHENYLVALERIC ACID5-Phenylvaleric acidME39223316757-5.273179.1066557
6-HYDROXYNICOTINIC ACID6-Hydroxynicotinic acidME39223772924-1.71140.034219
8-HYDROXYQUINOLINEQuinolin-8-olME3922381923-2.705146.0600398
ACETYL-CARNITINECAR 2:0ME3922397045767-0.82204.123034
ACETYLCHOLINEAcetylcholineME392240187-0.83146.1181038
ACONITIC ACIDcis-Aconitic acidME392241444212-1.664197.0056559
ADENINEAdenineME392242190-0.825136.0617712
ADENOSINEAdenosineME39224360961-1.62268.1040299
ADENOSINE 3',5'-CYCLIC MONOPHOSPHATE3',5' cyclic AMPME3922446076-1.673330.0597958
ADIPIC ACIDAdipic acidME392245196-2.598169.0471268
AGMATINEAgmatineME392246199-0.628131.1291225
ALANINE, BETA-ALANINE, SARCOSINE-ME392247--0.7290.05495447
ALLANTOIC ACIDAllantoic acidME392248203-0.765177.0618308
ALLANTOINAllantoinME392249204-0.779159.0512661
ALLO-ISOLEUCINE, ISOLEUCINE-ME392250--1.594132.1019047
ALLOTHREONINE, HOMOSERINE, THREONINE-ME392251--0.732120.0655192
ALPHA-AMINOADIPIC ACIDalpha-Aminoadipic acidME39225292136-0.814162.0760838
ALPHA-GALACTOSE 1-PHOSPHATE, ALPHA-GLUCOSE 1-PHOSP...-ME392253--0.783261.0369946
ALPHA-N-ACETYL-GLUTAMINEN-AcetylglutamineME39225425561-1.135189.0869829
ALPHA-RHAMNOSE, FUCOSE-ME392255--0.75165.0757495
AMINO(4-HYDROXYCYCLOHEXYL)ACETIC ACID-ME3922564250253-0.777174.1124693
AMINOMALONIC ACIDAminomalonic acidME392257100714-0.761120.0291336
ARABITOL, XYLITOL-ME392258--0.766153.0757495
ARGININEArginineME3922596322-0.679175.1189517
ASPARAGINEAsparagineME3922616267-0.712133.0607681
ASPARTIC ACIDAspartic acidME392262--0.726134.0447837
ASP-PHEAsp-PheME39226093078-2.632281.1131976
AZELAIC ACIDAzelaic acidME3922632266-4.354189.112135
BECLOMETASONE DIPROPIONATE-ME39226421700-5.555521.2300572
BETAINEBetaineME392266247-0.755118.0862546
BETA-LACTOSE, LACTULOSE, MALTOSE, MELIBIOSE, SUCRO...-ME392265--0.767343.1234875
BICINE-ME3922678761-0.747164.0917339
CADAVERINECadaverineME392268273-0.613103.1229745
CAFFEINECaffeineME3922692519-3.201195.0876516
CAPRYLOYL GLYCINECapryloylglycineME39227084290-5.05202.1437695
CARNITINECarnitineME39227110917-0.723162.1124693
CARNITINE-TRIMETHYL-D9-ME392272129316446-0.705888889171.169276
CARNOSINECarnosineME392273439224-0.673227.1138663
CATECHOLPyrocatecholME392274289-2.714111.0440554
CHLOROQUINE-ME3922752719-2.445320.1888015
CHOLINECholineME392276305-0.705104.1075391
CIS-CAFFEIC ACIDCaffeic acidME392277689043-2.946181.0495347
CITRIC ACIDCitric acidME392278311-1.32193.0342786
CITRULLINECitrullineME3922799750-0.752176.1029673
COPROPORPHYRIN IIICoproporphyrin IIIME392280114935-5.334655.2762402
CORTICOSTERONE, REICHSTEIN'S SUBSTANCE S-ME392281--5.111347.2216854
COTININECotinineME392282408-1.52177.102239
CREATINECreatineME392283586-0.787132.0767525
CREATINE PHOSPHATEPhosphocreatineME3922849548602-0.83212.0430831
CREATININECreatinineME392285588-0.74114.0661879
CYSTATHIONINECystathionineME392286439258-0.702223.0747039
CYSTINECystineME39228767678-0.717241.0311249
CYTIDINECytidineME3922886175-0.83244.0927965
CYTIDINE 2',3'-CYCLIC MONOPHOSPHATE2',3' cyclic CMPME39228953481030-0.829306.0485624
CYTOSINECytosineME392290597-0.739112.0505378
D15-OCTANOIC ACIDCaprylic acidME39229113011402-5.352777778160.216476
D19-DECANOIC ACIDCapric acidME39229216213405-5.571333333192.272876
D27-TETRADECANOIC ACIDMyristic acidME39229316212357-6.015888889256.385676
DAMPdAMPME39229412599-1.42332.0754458
DECANOYLCARNITINECAR 10:0ME39229510245190-5.002316.2482345
DEOXYCARNITINE3-DehydroxycarnitineME392296725-0.776146.1175547
DEOXYCYTIDINEDeoxycytidineME39229713711-0.836228.0978819
DEOXYURIDINEDeoxyuridineME39229813712-1.648229.0818975
DEXCHLORPHENIRAMINE-ME39229933036-3.821275.1309523
DI-N-OCTYL PHTHALATE-3,4,5,6-D4-ME39230016212237-5.682666667395.309376
DOPAMINEDopamineME392301681-1.179154.0862546
ELAIDIC ACID, OLEIC ACID, PETROSELINIC ACID-ME392302--5.729283.2631563
EPINEPHRINE, NORMETANEPHRINE-ME392303--0.839184.0968193
ERYTHRITOL, THREITOL-ME392304--0.775123.0651848
ESTRIOLEstriolME3923055756-4.456599.3343072
ETHOSUXIMIDEEthosuximideME3923063291-3.183142.0862546
FERULIC ACIDtrans-Ferulic acidME392307445858-3.666195.0651848
FRUCTOSE, GULOSE, MANNOSE, MYO-INOSITOL, SORBOSE-ME392308--0.74181.0706641
FUMARIC ACIDFumaric acidME392309444972-1.429117.0182346
GALACTITOL, MANNITOL-ME392310--0.756183.0863142
GALACTOSAMINE, GLUCOSAMINE, MANNOSAMINE-ME392311--0.676180.0866485
GALLIC ACIDGallic acidME392312370-1.685171.0287993
GAMMA-CAPROLACTONEgamma-CaprolactoneME39231312756-3.141115.0753556
GLUCONO-1,5-LACTONE, GULONIC ACID GAMMA-LACTONE-ME392314--0.772179.055014
GLUCOSAMINE 6-PHOSPHATEGlucosamine 6-phosphateME392315440997-0.703260.052979
GLUCOSAMINIC ACIDGlucosaminic acidME39231673563-0.718196.0815631
GLUCOSE-1,2,3,4,5,6,6-D7-ME39231792043367-0.750444444210.096518
GLUTAMIC ACID, N-METHYL-ASPARTIC ACID-ME392318--0.745148.0604338
GLUTAMINEGlutamineME3923195961-0.724147.0764182
GLYCEROL 2-PHOSPHATEsn-Glycero-2-phosphateME3923202526-0.813173.0209506
GLYCYL-GLYCINEGly-GlyME39232111163-0.687133.0607681
GUANIDINEACETIC ACIDGuanidoacetic acidME392322763-0.732118.0611025
GUANOSINEGuanosineME392323135398635-1.657284.0989445
GUANOSINE 3',5'-CYCLIC MONOPHOSPHATE3',5' cyclic GMPME392324135398570-1.697346.0547104
HEPTADECANOIC ACIDMargaric acidME39232510465-6.094271.2631563
HEXANOYLGLYCINEHexanoylglycineME39232699463-3.845174.1124693
HIPPURIC ACIDHippuric acidME392327464-2.994180.0655192
HISTIDINEHistidineME3923286274-0.668156.0767525
HOMOCITRULLINEHomocitrullineME39232965072-0.813190.1186174
HOMOCYSTEINEHomocysteineME392330778-0.825136.0426755
HOMOVANILLIC ACIDHomovanillic acidME3923311738-3.233183.0651848
HYDROQUINONEHydroquinoneME392332785-2.604111.0440554
HYDROXYPHENYLLACTIC ACIDHydroxyphenyllactic acidME3923339378-2.635183.0651848
HYPOTAURINEHypotaurineME392334107812-0.735110.0270255
HYPOXANTHINEHypoxanthineME392335790-1.265137.0457868
INDOLE-2,4,5,6,7-D5-3-ACETIC ACID-ME39233654301591-3.979777778181.101976
INDOLE-3-BUTYRIC ACID3-Indolebutyric acidME3923378617-4.707204.1019047
INDOLEACETIC ACIDIndoleacetic acidME392338802-4.019176.0706045
INDOLEACRYLIC ACIDIndoleacrylic acidME3923395355219-4.399188.0706045
INDOLELACTIC ACIDIndolelactic acidME39234092904-3.71206.0811692
INDOLEPROPIONIC ACIDIndolepropionic acidME3923413744-4.399190.0862546
INDOLEPYRUVIC ACIDIndolepyruvateME392342803-3.447221.0920662
INDOXYL-BETA-GLUCURONIDEInodxyl glucuronideME3923432733785-2.772332.0740698
INOSINEInosineME392344135398641-1.647269.0880455
ISOVALERYLGLYCINEIsovalerylglycineME392345546304-2.842160.0968193
KYNURENIC ACIDKynurenic acidME3923463845-3.047190.0498691
LAUROYLCARNITINECAR 12:0ME392347168381-5.245344.2795347
LEUCINE-5,5,5-D3-ME39234811073472-1.634666667135.120776
LEUCINE, NORLEUCINE-ME392349--1.666132.1019047
LEVULINIC ACIDLevulinic acidME39235011579-1.774139.0365621
LUMICHROMELumichromeME3923515326566-4.338243.0876516
LYSINELysineME3923525962-0.65147.1128037
MALIC ACIDMalic acidME392353--1.657135.0287993
MALTOTRIOSE, RAFFINOSE-ME392354--0.818505.1763109
METHIONINEMethionineME3923556137-1.157150.0583256
METHIONINE-METHYL-D3-ME39235615556503-1.131888889153.077176
METHYL INDOLE-3-ACETATEIndole-3-methyl acetateME39235774706-4.644190.0862546
METHYLMALONIC ACIDMethylmalonic acidME392359487-1.742119.0338847
METHYL NICOTINIC ACID-ME3923587151-2.972138.0549545
METHYLSUCCINIC ACIDMethylsuccinic acidME39236010349-2.297133.0495347
MEVALONOLACTONEMevalonolactoneME3923615325923-1.721131.0702702
N-(3-INDOLYLACETYL)-ALANINE-ME392362644225-3.792247.1077183
N-(3-PHENYLPROPIONYL)GLYCINEPhenylpropionylglycineME392363152323-2.112225.1233663
N6-(DELTA2-ISOPENTENYL)-ADENINEN6-IsopentenyladenineME39238592180-3.655204.1243714
N-ACETYL-ASPARTIC ACIDN-Acetylaspartic acidME39236565065-1.165176.0553484
N-ACETYL-GALACTOSAMINE, N-ACETYL-GLUCOSAMINE, N-AC...-ME392366--0.823222.0972132
N-ACETYL-GLUTAMIC ACIDN-Acetylglutamic acidME392367185-1.485190.0709985
N-ACETYL-LEUCINEN-AcetylleucineME39236870912-3.685174.1124693
N-ACETYL-METHIONINEN-AcetylmethionineME3923696180-2.772192.0688903
N-ACETYLMURAMIC ACIDN-Acetylmuramic acidME3923725462244-1.418294.1183426
N-ACETYLNEURAMINATEN-Acetylneuraminic acidME392373439197-0.818310.1132572
N-ACETYL-PHENYLALANINEN-AcetylphenylalanineME39237074839-3.805208.0968193
N-ACETYLPUTRESCINEN-AcetylputrescineME392374122356-0.843131.1178891
N-ACETYLTRYPTOPHANN-Acetyl-tryptophanME392375--3.7425247.1077183
N-ACETYL-TYROSINEN-AcetyltyrosineME39237168310-2.716224.0917339
N-ALPHA-ACETYL-ASPARAGINEN-AcetylasparagineME39237699715-0.825175.0713328
N-ALPHA-ACETYL-LYSINEN(2)-AcetyllysineME392377192590-0.831189.1233684
N-AMIDINO-ASPARTIC ACIDGuanidinosuccinic acidME392378439918-0.771176.0665818
N-BENZOYL-D5-GLYCINE-ME392379101624378-2.971555556185.096876
N-BUTYRYLGLYCINEN-ButyrylglycineME39238088412-2.205146.0811692
N-(CINNAMOYL)GLYCINECinnamoylglycineME392364709625-3.981206.0811692
NEPSILON,NEPSILON,NEPSILON-TRIMETHYLLYSINEN-6-TrimethyllysineME392386440120-0.662189.1597539
N-FORMYL-METHIONINEN-FormylmethionineME3923816995182-2.597178.0532402
NICOTINAMIDENiacinamideME392387936-1.206123.0552888
NICOTINAMIDE MONONUCLEOTIDENicotinamide ribotideME39238814180-0.828335.0638781
NICOTINENicotineME39238989594-0.826163.1229745
NICOTINIC ACID, PICOLINIC ACID-ME392390--1.13124.0393044
NICOTINURIC ACIDNicotinuric acidME39239168499-1.556181.0607681
N-METHYL-GLUTAMATEN-Methyl-glutamic acidME392382439377-0.783162.0760838
N,N-DIMETHYLGLYCINEDimethylglycineME392384673-0.743104.0706045
N-OMEGA-METHYLTRYPTAMINEN-MethyltryptamineME3923836088-2.582175.1229745
NORADRENALINEXi-NorepinephrineME392392439260-0.761170.0811692
O-ACETYL-SERINEO-AcetylserineME39239399478-0.815148.0604338
OCTANOYLCARNITINECAR 8:0ME39239411953814-4.387288.2169344
OPHTHALMIC ACIDOphthalmic acidME3923957018721-1.447290.1346613
ORNITHINEOrnithineME392396--0.653133.0971536
PALMITIC ACIDPalmitic acidME392399985-6.46257.2475063
P-ANISALDEHYDE-ME39239731244-1.18137.0597055
PANTOTHENIC ACIDPantothenic acidME392400--2.37220.1179486
P-COUMARIC ACIDcis-p-Coumaric acidME392398637542-3.605165.0546201
PENTANEDECANOIC ACIDPentadecylic acidME39240113849-6.224243.2318562
PHENOLSULFONIC ACID4-Hydroxybenzenesulfonic acidME3924024765-1.114175.0059557
PHENYLACETIC ACIDPhenylacetic acidME392403999-2.679137.0597055
PHENYLACETYL-GLUTAMINEalpha-N-PhenylacetylglutamineME39240492258-3.064265.118283
PHENYLACETYLGLYCINEPhenylacetylglycineME39240568144-3.305194.0811692
PHENYLALANINEPhenylalanineME3924066140-1.981166.0862546
PHENYLALANINE-2,3,4,5,6-D5-ME39240713000992-1.928111111171.117676
PHENYLPROPIOLIC ACIDPhenylpropiolic acidME39240869475-4.35147.0440554
PHOSPHOCHOLINECholine phosphateME3924091014-0.735184.07387
PIPECOLIC ACIDPipecolic acidME392410439227-0.849130.0862546
PROGESTERONE-D9ProgesteroneME39241171309321-5.482444444324.288376
PROLINEProlineME392412--0.811116.0706045
PROPIONYLCARNITINECAR 3:0ME392413107738-1.587218.1386841
PROPIONYLGLYCINEPropionylglycineME39241498681-1.534132.0655192
PROPYL GALLIC ACID-ME3924154947-4.139213.0757495
PROPYLPARABENPropylparabenME3924167175-5.083181.0859202
PUTRESCINEPutrescineME3924171045-0.60689.10732439
PYRIDOXALPyridoxalME3924181050-0.837168.0655192
PYRIDOXAMINEPyridoxamineME3924191052-0.695169.0971536
PYRIDOXINEPyridoxineME3924201054-1.387170.0811692
PYROGALLOL1,2,3-TrihydroxybenzeneME3924211057-1.741127.0389701
PYROGLUTAMIC ACIDPyroglutamic acidME392422--1.422130.0498691
QUINIC ACIDQuinic acidME3924236508-0.84193.0706641
RAC-GLYCEROL 1-MYRISTATEMG 14:0ME39242479050-5.898303.2529856
RESVERATROLResveratrolME392425445154-4229.0859202
RIBOFLAVINRiboflavinME392426493570-3.255377.1455604
S-(5'-ADENOSYL)-L-HOMOCYSTEINES-AdenosylhomocysteineME392427439155-1.522385.1288648
SACCHARINSaccharinME3924295143-2.67184.00629
SALICYLHYDROXAMIC ACIDSalicylhydroxamic acidME39243066644-2.815154.0498691
S-CARBOXYMETHYL-CYSTEINES-Carboxymethyl-cysteineME392428193653-0.834180.0325048
SEBACIC ACIDSebacic acidME3924315192-4.748220.1543321
SELENOMETHIONINESelenomethionineME392432105024-1.437198.0027759
SERINESerineME3924335951-0.705106.0498691
SEROTONINSerotoninME3924345202-1.617177.102239
SN-GLYCERO-3-PHOSPHOCHOLINEsn-Glycero-3-phosphocholineME392435657272-0.747258.1101
SPERMIDINESpermidineME3924361102-0.588146.1651736
SPERMINESpermineME3924371103-0.581203.2230229
SPHINGANINESphinganineME39243891486-5.302302.3053555
STEARIC ACIDStearic acidME3924395281-5.99285.2788064
SUBERIC ACIDSuberic acidME39244010457-3.833197.0784269
SUBERYL GLYCINESuberylglycineME3924416453952-3.163232.1179486
SUCCINIC ACIDSuccinic acidME3924421110-1.24119.0338847
SYRINGIC ACIDSyringic acidME39244310742-3.218199.0600994
TAURINETaurineME3924441123-0.718126.0219401
THIAMINE MONOPHOSPHATEThiamine monophosphateME3924451131-0.74345.0786383
THYMIDINEThymidineME3924465789-2.108243.0975476
THYMINEThymineME3924471135-1.673127.0502034
THYROXINEThyroxineME3924485819-5.17777.6939758
TIGLYL GLYCINETiglylglycineME3924496441567-2.668158.0811692
TRANEXAMIC ACIDTranexamic acidME3924505526-1.19158.1175547
TRIDECANOIC ACIDTridecylic acidME39245112530-5.907666667215.200576
TRIGONELLINETrigonellineME3924525570-0.797138.0549545
TRIMETHYLAMINE N-OXIDETrimethylamine N-oxideME3924531145-0.70776.07568991
TRYPTOPHANTryptophanME3924546305-2.581205.0971536
TRYPTOPHAN-2,4,5,6,7-D5-ME39245512209747-2.505111111210.128576
TRYPTOPHANAMIDETryptophanamideME392456439356-2.211204.1131381
TYRAMINETyramineME3924575610-1.51138.09134
TYROSINETyrosineME3924586057-1.489182.0811692
URACILUracilME3924591174-1.115113.0345534
URIDINEUridineME3924606029-1.515245.0768121
UROCANIC ACIDUrocanic acidME392461736715-0.856139.0502034
URSOCHOLIC ACIDUrsocholic acidME392462122340-5.223426.3213974
VALINEValineME3924636287-1.042118.0862546
VANILLIC ACIDVanillic acidME3924648468-3.155169.0495347
XANTHOSINEXanthosineME39246564959-1.75285.0829601
XANTHURENIC ACIDXanthurenic acidME3924665699-2.943206.0447837


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
1,5-ANHYDRO-GLUCITOL1,5-AnhydrosorbitolME39246964960-0.88163.0611975
1,6-ANHYDRO-B-GLUCOSEGlucosanME3924702724705-0.871161.0455474
1-AMINOCYCLOPROPANE-1-CARBOXYLIC ACID1-Aminocyclopropanecarboxylic acidME392468535-0.829100.0404025
2,4-DIHYDROXYBUTANOIC ACID2,4-Dihydroxybutanoic acidME392482192742-0.785119.0349827
2,4-DIHYDROXYPYRIMIDINE-5-CARBOXYLIC ACIDUracil-5-carboxylic acidME39248390301-0.77155.0098306
2,6-DIHYDROXYBENZOIC ACID2,6-Dihydroxybenzoic acidME3924849338-2.923153.0193327
2-AMINO-2-METHYLPROPANOIC ACID, 2-AMINOBUTYRIC ACI...-ME392471--0.839102.0560525
(2-AMINOETHYL)PHOSPHONATECiliatineME392467339-0.769124.0169038
2-DEOXY-GLUCOSE2-Deoxy-glucoseME392472439268-0.822163.0611975
2'-DEOXYGUANOSINE 5'-MONOPHOSPHATE, ADENOSINE 5'-M...-ME392485--0.881346.0558084
2'-DEOXYURIDINE 5'-MONOPHOSPHATEdUMPME39248665063-0.829307.033676
2-HYDROXY-3-METHYLPENTANOIC ACID, 2-HYDROXY-4-METH...-ME392473--1.926131.0713682
2-HYDROXYBUTYRIC ACID, 3-HYDROXYBUTYRIC ACID, 3-HY...-ME392474--0.86103.0400681
2-HYDROXYHEXANEDIOIC ACID, 3-HYDROXY-3-METHYLGLUTA...-ME392475--0.733161.0455474
2-HYDROXYPHENYLACETIC ACID2-Hydroxyphenylacetic acidME39247611970-2.406151.0400681
2-ISOPROPYLMALIC ACID2-Isopropylmalic acidME3924775280523-0.825175.0611975
2-METHYLBUTYRYLGLYCINE2-MethylbutyrylglycineME392478193872-1.959158.0822673
2-METHYLMALEIC ACID, ITACONIC ACID-ME392479--0.748129.0193327
2-OXOADIPATEOxoadipic acidME39248071-0.74159.0298974
2-PHOSPHOGLYCERIC ACID2-Phosphoglyceric acidME39248159-0.71184.9856632
3-(2-HYDROXYPHENYL)PROPANOIC ACID3-(2-Hydroxyphenyl)propanoic acidME392487873-2.913165.0557182
3-(3-HYDROXYPHENYL)PROPIONIC ACID3-(3-Hydroxyphenyl)propanoic acidME39248891-2.254165.0557182
3,4-DIHYDROXYBENZOATE, 3,5-DIHYDROXYBENZOIC ACID-ME392505--0.867153.0193327
3,4-DIHYDROXYMANDELIC ACID3,4-Dihydroxymandelic acidME39250685782-0.82183.0298974
3,4-DIHYDROXYPHENYLACETIC ACID, 3-HYDROXYMANDELIC ...-ME392507--0.878167.0349827
3-(4-HYDROXYPHENYL)PYRUVIC ACID4-Hydroxyphenylpyruvic acidME392489979-1.805179.0349827
3-AMINO-4-HYDROXYBENZOIC ACID, 3-AMINO-5-HYDROXYBE...-ME392490--0.853152.0353171
3-DEHYDROSHIKIMIC ACID3-DehydroshikimateME392491439774-0.81171.0298974
3-FUROIC ACID3-Furoic acidME39249210268-0.905111.008768
3-HYDROXYANTHRANILIC ACID3-Hydroxyanthranilic acidME39249386-0.894152.0353171
3-HYDROXYBENZYL ALCOHOL3-Hydroxybenzyl alcoholME392494102-2.808123.0451535
3-HYDROXYGLUTARIC ACID, ALPHA-HYDROXYGLUTARIC ACID...-ME392495--0.728147.0298974
3-HYDROXYINDOLEIndoxylME39249650591-3.748132.0454878
3-HYDROXYISOVALERIC ACID3-Hydroxyisovaleric acidME39249769362-1.264117.0557182
3-METHYLADIPIC ACID, PIMELIC ACID-ME392498--0.764159.0662829
3-METHYLGLUTACONIC ACID3E-Methylglutaconic acidME3924991551553-0.753143.0349827
3-NITRO-TYROSINENitrotyrosineME39250065124-0.886225.0516954
3-PHENYLLACTIC ACIDPhenyllactic acidME392501--2.424165.0557182
3-PHOSPHOGLYCERIC ACID3-Phosphoglyceric acidME392502724-0.715184.9856632
3-SULFINO-ALANINE3-Sulfino-alanineME3925031549098-0.769152.0023027
3-UREIDOPROPIONATE, ASPARAGINE, GLYCYL-GLYCINE-ME392504--0.79131.0462161
4-ACETAMIDOBUTANOIC ACID4-Acetamidobutanoic acidME39250818189-0.887144.0666172
4-ACETAMIDOPHENOLAcetaminophenME3925091983-2.49150.0560525
4-AMINOBENZOIC ACID, TRIGONELLINE-ME392510--0.875136.0404025
4-AMINOBUTANOIC ACIDgamma-Aminobutyric acidME392511119-0.802102.0560525
4-BROMO-PHENYLALANINEP-Bromo-DL-phenylalanineME392512671214-3.626241.982224
4-CHLORO-PHENYLALANINE-ME392513736190-3.368198.032724
4-ETHYLOCTANOIC ACID4-Ethyloctanoic acidME39251461840-5.349171.1390539
4-GUANIDINOBUTANOIC ACID4-Guanidinobutanoic acidME392515500-0.878144.0778506
4-HYDROXY-3-METHOXYMANDELIC ACID-ME3925161245-0.892197.0455474
4-HYDROXYBENZALDEHYDE4-HydroxybenzaldehydeME392517126-2.421121.0295034
4-HYDROXYBENZOIC ACID4-Hydroxybenzoic acidME392518135-0.89137.0244181
4-HYDROXYCYCLOHEXANECARBOXYLIC ACID4-Hydroxycyclohexylcarboxylic acidME392519151138-0.827143.0713682
4-HYDROXYPHENYL ACETIC ACID4-Hydroxyphenylacetic acidME392520127-0.912151.0400681
4-HYDROXYPHENYL ACETIC ACID, MANDELIC ACID-ME392521--1.46151.0400681
4-HYDROXYPHENYL-D4-ALANINE-ME39252210419891-1.32184.091724
4-HYDROXYPROLINE, 5-AMINOLEVULINIC ACID-ME392523--0.813130.0509672
4-IMIDAZOLEACETIC ACIDImidazoleacetic acidME39252496215-0.868125.0356514
4-METHYLVALERIC ACIDIsocaproic acidME39252512587-2.949115.0764536
4-PYRIDOXIC ACID4-Pyridoxic acidME3925266723-2.481182.0458818
5-AMINOIMIDAZOLE-4-CARBOXAMIDE-1-BETA-RIBOFURANOSY...AICAR-PME39252765110-0.779337.0554741
5-AMINOPENTANOIC ACID, BETAINE-ME392528--0.762116.0717026
5-HYDROXYINDOLE5-HydroxyindoleME39252916054-2.904132.0454878
5-HYDROXYMETHYL-2-FURANCARBOXYLIC ACIDSumiki's acidME39253080642-0.881141.0193327
5-SULFOSALICYLIC ACID5-Sulfosalicylic acidME3925317322-0.827216.9812329
6-HYDROXYNICOTINIC ACID6-Hydroxynicotinic acidME39253272924-0.864138.019667
6-PHOSPHOGLUCONIC ACID6-Phosphogluconic acidME39253391493-0.706275.0173572
8-HYDROXYQUINOLINE, INDOLE-3-CARBOXALDEHYDE-ME392534--4.039144.0454878
ACONITIC ACIDcis-Aconitic acidME392535--0.702173.0091619
ADENINEAdenineME392536190-1.805134.0472192
ADENOSINE 2',3'-CYCLIC MONOPHOSPHATE2',3' cyclic AMPME392537101812-1.893328.0452438
ADENOSINE 3',5'-CYCLIC MONOPHOSPHATE3',5' cyclic AMPME3925386076-2.227328.0452438
ADENOSINE 3',5'-DIPHOSPHATEAdenosine 3',5'-diphosphateME392539159296-0.72426.022139
ALANINE, SARCOSINE-ME392540--0.78288.04040247
ALLANTOINAllantoinME392541204-0.827157.0367141
ALLO-ISOLEUCINE, ISOLEUCINE-ME392542--1.452130.0873527
ALLOSE, ALPHA-GLUCOSE, FRUCTOSE, GALACTOSE, GLUCOS...-ME392543--0.846179.0561121
ALLOTHREONINE, HOMOSERINE-ME392544--0.812118.0509672
ALPHA-AMINOADIPIC ACID, AMINOADIPIC ACID, N-METHYL...-ME392545--0.761160.0615318
ALPHA-ARBUTIN-ME392546346-1.714271.0823269
ALPHA-GALACTOSE 1-PHOSPHATE, MANNOSE 6-PHOSPHATE-ME392547--0.744259.0224426
ALPHA-KETOGLUTARIC ACID2-Oxoglutaric acidME39254851-0.731145.0142473
ALPHA-N-ACETYL-GLUTAMINEN-AcetylglutamineME39254925561-0.873187.0724309
ALPHA-RHAMNOSE, FUCOSE-ME392550--0.876163.0611975
AMINOMALONIC ACIDAminomalonic acidME392551100714-0.753118.0145816
ANDROSTERONEAndrosteroneME3925525879-5.728289.2173042
ARABINOSEArabinoseME39255366308-0.765149.0455474
ARABINOSE, LYXOSE, RIBOSE, XYLOSE-ME392554--0.852149.0455474
ARABITOL, XYLITOL-ME392555--0.839151.0611975
ARGININEArginineME3925566322-0.889173.1043997
ASCORBIC ACID, GLUCURONOLACTONE-ME392557--0.781175.024812
ASPARTIC ACIDAspartic acidME392559--0.757132.0302317
ASP-PHEAsp-PheME39255893078-1.721279.0986456
BENZALDEHYDEBenzaldehydeME392560240-3.155105.0345888
BENZYL ALCOHOLBenzyl alcoholME392561244-3.158107.0502389
BETA-ALANINEbeta-AlanineME392562239-0.86388.04040247
BETA-LACTOSELactoseME3925636134-0.842341.1089355
BETA-N-ACETYLGLUCOSAMINEBeta-N-AcetylglucosamineME39256424139-0.862256.0593392
BUTYLATED HYDROXYTOLUENE2,6-Di-tert-butyl-4-methylphenolME39256531404-6.315219.1754394
CAPRYLIC ACIDCaprylic acidME392566379-4.796143.1077538
CAPRYLOYL GLYCINECapryloylglycineME39256784290-4.737200.1292175
CARNOSINECarnosineME392568439224-0.875225.0993143
CATECHINCatechinME3925699064-2.751289.0717622
CATECHOLPyrocatecholME392570289-2.837109.0295034
CELLOBIOSE, LACTULOSE, MALTOSE, MELIBIOSE, PALATIN...-ME392571--0.878341.1089355
CHENODEOXYCHOLIC ACID, DEOXYCHOLIC ACID-ME392572--5.581391.2853838
CHOLIC ACIDCholic acidME392573221493-5.444407.2802984
CITRIC ACID, ISOCITRIC ACID-ME392574--0.702191.0197266
CITRULLINECitrullineME3925759750-0.831174.0884153
CORTICOSTERONECorticosteroneME3925765753-5.295345.2071334
CREATINECreatineME392577586-0.872130.0622005
CREATINE PHOSPHATEPhosphocreatineME3925789548602-0.737210.0285311
CREATININECreatinineME392579588-0.886112.0516359
CYS-GLYCys-GlyME392580439498-0.883177.0339372
CYSTATHIONINECystathionineME392581439258-0.782221.0601519
CYSTEIC ACIDCysteic acidME39258225701-0.747167.9972173
CYSTEINECysteineME3925835862-0.806120.0124735
D15-OCTANOIC ACIDCaprylic acidME39258413011402-4.685158.201924
D19-DECANOIC ACIDCapric acidME39258516213405-5.389190.258324
D27-TETRADECANOIC ACIDMyristic acidME39258616212357-5.749254.371124
DECANOIC ACIDCapric acidME3925872969-5.395171.1390539
DEHYDROASCORBIC ACIDL-Dehydroascorbic acidME392588440667-0.885173.0091619
DEOXYURIDINEDeoxyuridineME39258913712-1.738227.0673455
DETHIOBIOTINDethiobiotinME392590445027-2.648213.1244664
DIACETYLDiacetylME392591650-0.75885.02950343
DIHYDROOROTIC ACIDDihydroorotic acidME392592439216-0.847157.0254807
ERYTHRITOL, THREITOL-ME392593--0.852121.0506328
ETHANOLAMINE PHOSPHATEPhosphoethanolamineME3925941015-0.771140.0118184
ETHYLMALONIC ACID, GLUTARIC ACID, METHYLSUCCINIC A...-ME392595--0.734131.0349827
FERULIC ACIDtrans-Ferulic acidME392596445858-1.887193.0506328
FRUCTOSE 6-PHOSPHATE, GLUCOSE-6-PHOSPHATE-ME392597--0.727259.0224426
FUMARIC ACID, MALEIC ACID-ME392598--0.731115.0036826
GALACTARIC ACID, SACCHARIC ACID-ME392599--0.73209.0302913
GALACTITOL, MANNITOL-ME392600--0.822181.0717622
GALLIC ACIDGallic acidME392601370-0.774169.0142473
GLUCONIC ACIDGluconic acidME39260210690-0.772195.0510267
GLUCOSAMINEGlucosamineME392603439213-0.844178.0720965
GLUCOSAMINE 6-PHOSPHATEGlucosamine 6-phosphateME392604440997-0.76258.038427
GLUCOSAMINE 6-SULFATEGlucosamine 6-sulfateME39260572361-0.772258.0289114
GLUCOSE-1,2,3,4,5,6,6-D7-ME39260692043367-0.817186.100024
GLUCURONIC ACIDGlucuronic acidME392607--0.761193.0353767
GLUTAMIC ACIDGlutamic acidME39260833032-0.758146.0458818
GLUTAMINEGlutamineME3926095961-0.81145.0618662
GLYCERIC ACIDGlyceric acidME392610439194-0.771105.0193327
GLYCEROL 2-PHOSPHATEsn-Glycero-2-phosphateME3926112526-0.738171.0063986
GLYCOCHENODEOXYCHOLIC ACIDGlycochenodeoxycholic acidME39261212544-5.533448.3068475
GUANIDINEACETIC ACIDGuanidoacetic acidME392613763-0.826116.0465505
GUANOSINEGuanosineME392614135398635-1.78282.0843925
GULONIC ACID GAMMA-LACTONEL-GulonolactoneME392615439373-0.861177.040462
HEPTANOIC ACIDHeptylic acidME3926168094-4.15129.0921037
HEXANOYLGLYCINEHexanoylglycineME39261799463-3.235172.0979173
HIPPURIC ACIDHippuric acidME392618464-2.366178.0509672
HISTIDINEHistidineME3926196274-0.865154.0622005
HOMOCYSTEINEHomocysteineME392620778-0.778134.0281235
HOMOVANILLIC ACID SULFATE-ME39262129981063-0.888261.0074477
HYDROXYPHENYLLACTIC ACIDHydroxyphenyllactic acidME3926229378-1.527181.0506328
INDOLEIndoleME392623798-4.768116.0505732
INDOLE-2,4,5,6,7-D5-3-ACETIC ACID-ME39262454301591-2.406179.087424
INDOLELACTIC ACIDIndolelactic acidME39262592904-2.582204.0666172
INDOLEPROPIONIC ACIDIndolepropionic acidME3926263744-3.119188.0717026
INDOLEPYRUVIC ACIDIndolepyruvateME392627803-2.905202.0509672
INDOXYL SULFATEIndoxyl sulfateME39262810258-2.551212.002324
INOSINEInosineME392629135398641-1.76267.0734935
ISETHIONIC ACID2-HydroxyethanesulfonateME3926307866-0.777124.9914037
ISOVALERYLGLYCINEIsovalerylglycineME392631546304-2.197158.0822673
KYNURENIC ACIDKynurenic acidME3926323845-2.476188.0353171
LACTIC ACIDLactic acidME392633--0.78689.02441805
LAUROYLCARNITINECAR 12:0ME392634168381-5.856342.2649827
LEUCINE-5,5,5-D3-ME39263511073472-1.548133.106224
LEUCINE, NORLEUCINE-ME392636--1.586130.0873527
LEVULINIC ACIDLevulinic acidME39263711579-0.879115.0400681
LINOLEIC ACIDLinoleic acidME3926385280450-5.966279.2329543
LYSINELysineME3926395962-0.855145.0982517
MALEAMIC ACIDMaleamateME3926415280451-0.828114.019667
MALIC ACIDMalic acidME392642--0.722133.0142473
MALONIC ACIDMalonic acidME392643867-0.731103.0036826
MALTOTRIOSE, RAFFINOSE-ME392644--0.879503.1617589
METHIONINEMethionineME3926456137-1.213148.0437736
METHIONINE-METHYL-D3-ME39264715556503-1.174151.062624
METHIONINE SULFOXIMINEMethionine sulfoximineME39264689034-0.809179.0495873
METHYL BETA-GALACTOSIDEMethyl beta-D-galactosideME39264894214-0.882193.0717622
METHYL INDOLE-3-ACETATEIndole-3-methyl acetateME39264974706-4.883188.0717026
METHYLMALONIC ACID, SUCCINIC ACID-ME392651--0.731117.0193327
METHYL VANILLATEMethyl vanillateME39265019844-4.197181.0506328
M-HYDROXYHIPPURIC ACID3-Hydroxyhippuric acidME392640450268-1.847194.0458818
N-(2-FUROYL)GLYCINE2-FuroylglycineME39265221863-1.646168.0302317
N-(3-PHENYLPROPIONYL)GLYCINEPhenylpropionylglycineME392653152323-3.354206.0822673
N-ACETYL-ALANINEN-AcetylalanineME39265588064-0.887130.0509672
N-ACETYL-ASPARTIC ACIDN-Acetylaspartic acidME39265665065-0.733174.0407964
N-ACETYL-CYSTEINEN-AcetylcysteineME39265712035-0.906162.0230382
N-ACETYL-GLUTAMIC ACIDN-Acetylglutamic acidME392658185-0.756188.0564465
N-ACETYLGLYCINEN-AcetylglycineME39266310972-0.847116.0353171
N-ACETYL-LEUCINEN-AcetylleucineME39265970912-2.724172.0979173
N-ACETYL-METHIONINEN-AcetylmethionineME3926606180-1.896190.0543383
N-ACETYLMURAMIC ACIDN-Acetylmuramic acidME3926645462244-0.883292.1037906
N-ACETYLNEURAMINATEN-Acetylneuraminic acidME392665439197-0.818308.0987052
N-ACETYL-PHENYLALANINEN-AcetylphenylalanineME39266174839-2.975206.0822673
N-ACETYL-SERINEN-AcetylserineME392662352294-0.83146.0458818
N-ACETYLTRYPTOPHANN-Acetyl-tryptophanME392666--2.981245.0931663
N-ALPHA-ACETYL-ASPARAGINEN-AcetylasparagineME39266799715-0.837173.0567808
N-ALPHA-ACETYL-LYSINEN(2)-AcetyllysineME392668192590-0.878187.1088164
N-AMIDINO-ASPARTIC ACIDGuanidinosuccinic acidME392669439918-0.77174.0520298
N-BENZOYL-D5-GLYCINE-ME392670101624378-2.333183.082324
N-BUTYRYLGLYCINEN-ButyrylglycineME39267188412-1.623144.0666172
N-(CINNAMOYL)GLYCINECinnamoylglycineME392654709625-3.441204.0666172
N-FORMYL-METHIONINEN-FormylmethionineME3926726995182-1.72176.0386882
NICOTINAMIDENiacinamideME392673936-1.88121.0407368
NICOTINIC ACID, PICOLINIC ACID-ME392674--1.295122.0247524
NORVALINENorvalineME39267565098-0.921116.0717026
O-HYDROXYHIPPURIC ACIDSalicyluric acidME39267610253-2.523194.0458818
O-PHOSPHO-SERINEDL-O-PhosphoserineME392677--0.727184.0016476
OPHTHALMIC ACIDOphthalmic acidME3926797018721-0.879288.1201093
ORNITHINEOrnithineME392680--0.844131.0826016
OROTIC ACIDOrotic acidME392681967-0.868155.0098306
O-SUCCINYL-HOMOSERINEo-SuccinylhomoserineME392678439406-0.836218.0670111
PALMITIC ACIDPalmitic acidME392683985-6.081255.2329543
PANTOTHENIC ACIDPantothenic acidME3926846613-1.673218.1033966
P-CRESOL GLUCURONIDEP-Cresol glucuronideME392682154035-2.728283.0823269
PENTANEDECANOIC ACIDPentadecylic acidME39268513849-5.833241.2173042
PETROSELINIC ACID6-Octadecylenic acidME3926865281125-6.213281.2486043
PHENYLACETIC ACIDPhenylacetic acidME392687999-1.535135.0451535
PHENYLACETYL-GLUTAMINEalpha-N-PhenylacetylglutamineME39268892258-2.603263.103731
PHENYLACETYLGLYCINEPhenylacetylglycineME39268968144-2.737192.0666172
PHENYLALANINEPhenylalanineME3926906140-2.018164.0717026
PHENYLALANINE-2,3,4,5,6-D5-ME39269113000992-2.2169.103124
PHOSPHO(ENOL)PYRUVIC ACIDPhosphoenolpyruvic acidME3926921005-0.711166.9750985
PHOSPHONOACETIC ACIDPhosphonoacetateME392693546-0.746138.9801839
PHTHALIC ACIDPhthalic acidME3926941017-0.771165.0193327
PHYTIC ACIDMyo-inositol hexakisphosphateME392695890-0.653658.8540952
PIPECOLIC ACIDPipecolic acidME392696439227-0.889128.0717026
PROLINEProlineME392697--0.877114.0560525
PYROGALLOL1,2,3-TrihydroxybenzeneME3926981057-1.856125.0244181
PYROGLUTAMIC ACIDPyroglutamic acidME392699--0.849128.0353171
PYRUVIC ACIDPyruvic acidME3927001060-0.73387.00876799
QUINIC ACIDQuinic acidME3927016508-0.781191.0561121
REICHSTEIN'S SUBSTANCE S11-DeoxycortisolME392702440707-5.317345.2071334
RETINOIC ACIDRetinoic acidME392703444795-5.716299.2016541
RIBOSE 5-PHOSPHATERibose 5-phosphateME392704439167-0.728229.0118779
SEBACIC ACIDSebacic acidME3927055192-1.859201.1132331
SERINESerineME3927065951-0.794104.0353171
SHIKIMIC ACIDShikimic acidME3927078742-0.779173.0455474
SN-GLYCERO-3-PHOSPHOCHOLINEsn-Glycero-3-phosphocholineME392708657272-0.813256.095548
STACHYOSEStachyoseME392709439531-0.88665.2145824
SUBERIC ACIDSuberic acidME39271010457-0.878173.0819329
SUBERYL GLYCINESuberylglycineME3927116453952-0.878230.1033966
SUCRALOSESucraloseME3927125066234-3.478395.0072746
SYRINGIC ACIDSyringic acidME39271310742-1.536197.0455474
TARTARIC ACIDTartaric acidME392714--0.737149.0091619
TAURINETaurineME3927151123-0.793124.0073881
TAUROCHENODEOXYCHOLIC ACIDTaurochenodeoxycholic acidME392716387316-5.52498.2894832
TAUROCHOLIC ACIDTaurocholic acidME3927176675-5.403514.2843978
TAUROLITHOCHOLIC ACIDTaurolithocholic acidME392718439763-5.648482.2945685
TAUROURSODEOXYCHOLIC ACIDTauroursodeoxycholic acidME3927199848818-5.286498.2894832
TERPINEN-4-OL-ME39272011230-5.427153.1284892
THIOACETIC ACIDEthanethioic S-acidME39272110484-1.91474.99100975
THYMIDINEThymidineME3927225789-2.222241.0829956
THYMINEThymineME3927231135-1.796125.0356514
TIGLYL GLYCINETiglylglycineME3927246441567-1.948156.0666172
TRICARBALLYLIC ACID1,2,3-Propanetricarboxylic acidME39272514925-0.692175.024812
TRIDECANOIC ACIDTridecylic acidME39272612530-5.667213.186024
TRYPTOPHANTryptophanME3927276305-2.576203.0826016
TRYPTOPHAN-2,4,5,6,7-D5-ME39272812209747-2.517208.114024
TYROSINETyrosineME3927296057-1.397180.0666172
URACILUracilME3927301174-0.9111.0200014
URIC ACIDUric acidME3927311175-0.876167.021064
URIDINEUridineME3927326029-1.592243.0622601
URSOCHOLIC ACIDUrsocholic acidME392733122340-4.999407.2802984
VALINEValineME3927346287-0.895116.0717026
VALPROIC ACIDValproic acidME3927353121-4.333143.1077538
VANILLINVanillinME3927361183-2.667151.0400681
XANTHINEXanthineME3927371188-0.897151.0261494
XANTHOSINEXanthosineME39273864959-0.878283.0684081
XANTHURENIC ACIDXanthurenic acidME3927395699-1.739204.0302317


Analysis: HILIC 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-DIDECANOYL-SN-GLYCERO-3-PHOSPHOCHOLINEPC 10:0/10:0ME39274516219892-4.864566.3816304
1,3-DIAMINOPROPANE1,3-DiaminopropaneME392746428-9.05875.09167433
1,5,6,7-TETRAHYDRO-4H-INDOL-4-ONE, 2-PHENYLACETAMI...-ME392747--1.209136.0756899
1-AMINOCYCLOPROPANE-1-CARBOXYLIC ACID1-Aminocyclopropanecarboxylic acidME392740535-7.749102.0549545
1-HYDROXY-2-NAPHTHOIC ACID1-Hydroxy-2-naphthoateME3927416844-1.114189.0546201
1-METHYLGUANIDINEMethylguanidineME39274210111-5.64474.07127324
1-METHYLNICOTINAMIDE1-Methyl nicotinamideME392743457-6.193137.0714879
1-OLEOYL-RAC-GLYCEROLMG 18:1ME3927445283468-1.151357.2999358
25-HYDROXYCHOLESTEROL25-HydroxycholesterolME39275365094-1.209403.3570567
2-AMINO-2-METHYLPROPANOIC ACIDAminoisobutyric acidME3927486119-7.641104.0706045
2-AMINOPHENOL2-AminophenolME3927495801-1.224110.0600398
2-DEOXY-GLUCOSE, 6-DEOXY-GALACTOSE-ME392750--1.576165.0757495
2'-DEOXYGUANOSINE 5'-MONOPHOSPHATEdGMPME392752135398597-8.603348.0703604
2-FLUROPHENYLGLYCINE-ME3928455171030-6.894888889170.061176
2-METHOXYCINNAMALDEHYDE-ME392751641298-1.066163.0753556
3-(4-HYDROXYPHENYL)PROPIONIC ACID, METHYL 4-HYDROX...-ME392754--1.12167.0702702
3,5-DIMETHOXYPHENOL-ME39276210383-1.125155.0702702
3-AMINOISOBUTANOIC ACID3-Aminoisobutanoic acidME39275564956-7.613104.0706045
3-CHLORO-TYROSINE3-ChlorotyrosineME392756119226-6.889216.0421969
3-HYDROXYANTHRANILIC ACID, SALICYLHYDROXAMIC ACID-ME392757--1.452154.0498691
3-HYDROXYBUTYRIC ACID3-Hydroxybutyric acidME39275892135-1.222105.0546201
3-HYDROXYPHENYLACETIC ACID3-Hydroxyphenylacetic acidME39275912122-1.101153.0546201
3-METHYLADENINE3-MethyladenineME392760135398661-5.447150.0774212
3-METHYLSALICYLIC ACID-ME3927616738-1.3335153.0546201
4-ACETAMIDOPHENOLAcetaminophenME3927631983-1.264152.0706045
4-BROMO-PHENYLALANINEP-Bromo-DL-phenylalanineME392846671214-6.219222222243.996776
4-CHLORO-PHENYLALANINE-ME392847736190-6.236777778200.047276
4-GUANIDINOBUTANOIC ACID4-Guanidinobutanoic acidME392764500-7.158146.0924026
4-HYDROXYBENZALDEHYDE4-HydroxybenzaldehydeME392765126-1.162123.0440554
4-HYDROXYPHENYL-D4-ALANINE-ME39284810419891-7.346186.106276
4-HYDROXYPROLINEcis-4-HydroxyprolineME392766--7.799132.0655192
4-IMIDAZOLEACETIC ACIDImidazoleacetic acidME39276796215-7.623127.0502034
4-VINYL PHENOL4-HydroxystyreneME39276862453-1.181121.0647909
5,6-DIHYDRO THYMINEDihydrothymineME39277493556-1.495129.0658535
5-HYDROXYINDOLE5-HydroxyindoleME39276916054-1.214166667134.0600398
5-HYDROXYLYSINE5-HydroxylysineME3927701029-9.542163.1077183
5-METHOXY-3-INDOLEACETIC ACID5-Methoxyindoleacetic acidME39277118986-1.208666667206.0811692
5-METHYLCYTOSINE5-MethylcytosineME39277265040-5.731126.0661879
5-VALEROLACTONE5-ValerolactoneME39277310953-1.207101.0597055
8-AMINOOCTANOIC ACID8-Aminooctanoic acidME39277566085-5.759160.1332048
ACETYL-CARNITINECAR 2:0ME3927767045767-6.876204.123034
ACETYLCHOLINEAcetylcholineME392777187-3.329146.1181038
ADENINEAdenineME392778190-4.956136.0617712
ADENOSINEAdenosineME39277960961-5.209268.1040299
ADIPIC ACIDAdipic acidME392780196-1.142147.0651848
AGMATINEAgmatineME392781199-8.507131.1291225
ALANINEAlanineME3927825950-7.81690.05495447
ALLO-ISOLEUCINE, ISOLEUCINE-ME392783--6.868132.1019047
ALLOTHREONINE, HOMOSERINE-ME392784--8.023120.0655192
ALPHA-AMINOADIPIC ACIDalpha-Aminoadipic acidME39278592136-8.044162.0760838
ALPHA-N-ACETYL-GLUTAMINEN-AcetylglutamineME39278625561-7.528189.0869829
ANDROSTERONEAndrosteroneME3927875879-1.124291.2318562
ARABITOLArabitolME392788827-7.084175.0576835
ARGININEArginineME3927896322-9.163175.1189517
ASPARAGINEAsparagineME3927916267-8.347133.0607681
ASPARTIC ACIDAspartic acidME392792--8.798134.0447837
ASP-PHEAsp-PheME39279093078-7.697666667281.1131976
BETA-ALANINE, SARCOSINE-ME392793--7.64390.05495447
BETAINEBetaineME392795247-7.021118.0862546
BETA-LACTOSELactoseME3927946134-8.637343.1234875
BILIVERDINBiliverdinME3927965280353-1.474583.2551108
CADAVERINECadaverineME392797273-8.604103.1229745
CANRENONECanrenoneME39279813789-1.11341.2111208
CAPRYLOYL GLYCINECapryloylglycineME39279984290-1.447202.1437695
CARNITINECarnitineME39280010917-7.438162.1124693
CARNITINE-TRIMETHYL-D9-ME392849129316446-7.528333333171.169276
CARNOSINECarnosineME392801439224-9.292227.1138663
CARVONECarvoneME39280216724-1.057151.1117411
CATECHOLPyrocatecholME392803289-1.146111.0440554
CHOLINECholineME392804305-5.313104.1075391
CINNAMIC ACIDtrans-Cinnamic acidME392805444539-1.199149.0597055
CITRULLINECitrullineME3928069750-8.41176.1029673
CORTICOSTERONE, REICHSTEIN'S SUBSTANCE S-ME392807--1.213347.2216854
CORTISOLCortisolME392808657311-1.268363.2166001
CORTISONECortisoneME392809222786-1.22361.20095
CREATINECreatineME392810586-7.756132.0767525
CREATININECreatinineME392811588-5.079114.0661879
CYSTATHIONINECystathionineME392812439258-9.625223.0747039
CYTIDINECytidineME3928136175-6.713244.0927965
CYTOSINECytosineME392814597-5.922112.0505378
DEOXYCARNITINE3-DehydroxycarnitineME392815725-7.434146.1175547
DEOXYCORTICOSTERONE ACETATEDeoxycorticosterone acetateME3928165952-1.059373.2373355
DEOXYCYTIDINEDeoxycytidineME39281713711-6.043228.0978819
DETHIOBIOTINDethiobiotinME392818445027-1.541215.1390184
DIETHANOLAMINEDiethanolamineME3928198113-6.992106.0862546
DIETHYL MALONIC ACID-ME3928207761-1.047161.0808349
DIETHYL SUCCINATE-ME39282131249-1.064175.0964849
ETHYL 3-INDOLEACETIC ACIDEthyl 3-indoleacetateME39282213067-1.057204.1019047
ETHYL 4-AMINOBENZOIC ACIDBenzocaineME3928232337-1.091166.0862546
FERULIC ACIDtrans-Ferulic acidME392824445858-1.377195.0651848
GLUCOSAMINEGlucosamineME392825439213-8.53180.0866485
GLUTAMIC ACIDGlutamic acidME39282633032-8.353148.0604338
GLUTAMINEGlutamineME3928275961-8.23147.0764182
GLYCINEGlycineME392828750-8.03276.0393044
GUANIDINEACETIC ACIDGuanidoacetic acidME392829763-7.835118.0611025
GUANOSINEGuanosineME392830135398635-6.887284.0989445
HEPTANOIC ACIDHeptylic acidME3928318094-1.138131.1066557
HISTAMINEHistamineME392832774-8.111112.0869233
HISTIDINEHistidineME3928336274-9.134156.0767525
HOMOARGININEHomoarginineME3928349085-9.094189.1346018
HOMOCITRULLINEHomocitrullineME39283565072-8.231190.1186174
HYPOTAURINEHypotaurineME392836107812-7.795110.0270255
HYPOXANTHINEHypoxanthineME392837790-4.950833333137.0457868
INDOLEIndoleME392838798-1.22118.0651252
INDOLE-2,4,5,6,7-D5-3-ACETIC ACID-ME39285054301591-1.206888889181.101976
INDOLE-3-ACETALDEHYDEIndoleacetaldehydeME392839800-1.151160.0756899
INDOLEACETIC ACIDIndoleacetic acidME392840802-1.208176.0706045
INDOLEPROPIONIC ACIDIndolepropionic acidME3928413744-1.2190.0862546
INDOXYL SULFATEIndoxyl sulfateME39284210258-1.226214.016876
INOSINEInosineME392843135398641-6.23269.0880455
IRBESARTANIrbesartanME3928443749-1.206429.2397355
KYNURENIC ACIDKynurenic acidME3928563845-6.014190.0498691
KYNURENINEKynurenineME392857846-6.652209.0920683
LEUCINE-5,5,5-D3-ME39285111073472-6.781222222135.120776
LEUCINE, NORLEUCINE-ME392858--6.7565132.1019047
LINOLENIC ACIDOctadecatrienoic acidME3928595280934-1.031279.2318562
LITHOCHOLIC ACIDLithocholic acidME3928609903-1.191394.3315681
LUMICHROMELumichromeME3928615326566-1.496243.0876516
LYSINELysineME3928625962-9.284147.1128037
MANNITOLMannitolME3928636251-7.474183.0863142
MANNOSAMINE2-Amino-2-deoxy-D-mannoseME392864440049-8.266180.0866485
MELATONINMelatoninME392865896-1.204233.1284538
METHIONINEMethionineME3928666137-7.14150.0583256
METHIONINE-METHYL-D3-ME39285215556503-7.148153.077176
METHYL NICOTINIC ACID-ME3928677151-1.145138.0549545
N6-(DELTA2-ISOPENTENYL)-ADENINEN6-IsopentenyladenineME39287492180-1.482204.1243714
N-ACETYL-5-HYDROXYTRYPTAMINEN-AcetylserotoninME392868903-1.466219.1128037
N-ACETYLPUTRESCINEN-AcetylputrescineME392869122356-6.758131.1178891
N-ALPHA-ACETYL-LYSINEN(2)-AcetyllysineME392870192590-7.896189.1233684
N-AMIDINO-ASPARTIC ACIDGuanidinosuccinic acidME392871439918-8.367176.0665818
NATEGLINIDE-ME3928755311309-1.222318.2063697
NEPSILON,NEPSILON,NEPSILON-TRIMETHYLLYSINEN-6-TrimethyllysineME392876440120-8.848189.1597539
NICOTINAMIDENiacinamideME392877936-1.584123.0552888
N-METHYL-ASPARTIC ACIDN-Methyl-D-aspartic acidME39287222880-8.428148.0604338
N,N-DIMETHYLGLYCINEDimethylglycineME392873673-7.442104.0706045
OCTYL GALLATE-ME39287861253-1.216283.1539998
OPHTHALMIC ACIDOphthalmic acidME3928797018721-8.546290.1346613
ORNITHINEOrnithineME392880--9.333133.0971536
P-CRESOL GLUCURONIDEP-Cresol glucuronideME392881154035-6.258166667302.1234259
PHENYLALANINEPhenylalanineME3928826140-6.632166.0862546
PHENYLALANINE-2,3,4,5,6-D5-ME39285313000992-6.640444444171.117676
PHENYLETHANOLAMINE2-HydroxyphenethylamineME3928831000-5.488138.09134
PIMELIC ACIDPimelic acidME392884385-1.7435183.0627769
PIPECOLIC ACIDPipecolic acidME392885439227-7.517130.0862546
PIPERONYL ACETONE-ME39288662098-1.069193.0859202
PROGESTERONE-D9ProgesteroneME39285471309321-1.081777778324.288376
PROLINEProlineME392887--7.486116.0706045
PROPYL GALLIC ACID-ME3928884947-1.264213.0757495
PUTRESCINEPutrescineME3928891045-8.85589.10732439
PYROGLUTAMIC ACIDPyroglutamic acidME392890--7.439130.0498691
RAFFINOSERaffinoseME39289110542-9.241522.202823
RESVERATROLResveratrolME392892445154-1.234229.0859202
RIBOFLAVINRiboflavinME392893493570-5.897377.1455604
S-(5'-ADENOSYL)-L-HOMOCYSTEINES-AdenosylhomocysteineME392894439155-8.379385.1288648
SALICYLAMIDESalicylamideME3928955147-1.091138.0549545
SERINESerineME3928965951-8.321106.0498691
SEROTONINSerotoninME3928975202-5.711177.102239
SN-GLYCERO-3-PHOSPHOCHOLINEsn-Glycero-3-phosphocholineME392898--8.269258.1101
SORBIC ACIDSorbic acidME392899643460-1.224113.0597055
SPERMINESpermineME3929001103-6.83203.22355
SUBERIC ACIDSuberic acidME39290110457-1.457175.0964849
SUBERYL GLYCINESuberylglycineME3929026453952-6.567232.1179486
TAURINETaurineME3929031123-7.526126.0219401
TAUROCHOLIC ACIDTaurocholic acidME3929046675-5.908533.3254968
TAUROURSODEOXYCHOLIC ACIDTauroursodeoxycholic acidME3929059848818-5.076517.3305822
THIAMINEThiamineME3929061130-6.767265.1123072
THIOPURINE S-METHYLETHER6-MethylthiopurineME3929075778-1.472167.0385932
THREONINEThreonineME3929086288-7.965120.0655192
TRANEXAMIC ACIDTranexamic acidME3929095526-6.746158.1175547
TRICARBALLYLIC ACID1,2,3-Propanetricarboxylic acidME39291014925-1.441177.039364
TRIGONELLINETrigonellineME3929115570-7.196138.0549545
TRIMETHYLAMINE N-OXIDETrimethylamine N-oxideME3929121145-5.485576.07568991
TRYPTOPHANTryptophanME3929136305-6.58205.0971536
TRYPTOPHAN-2,4,5,6,7-D5-ME39285512209747-6.588666667210.128576
TYRAMINETyramineME3929145610-5.543138.09134
TYROSINETyrosineME3929156057-7.336182.0811692
URSOCHOLIC ACIDUrsocholic acidME392916122340-1.568426.3213974
VITAMIN D3Vitamin D3ME39291710883523-1.038385.346492
XANTHURENIC ACIDXanthurenic acidME3929185699-6.244206.0447837


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