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Analysis: Normal phase UNSPECIFIED ION MODE

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
10-Hydroxydecanoic acid10-Hydroxydecanoic acidME52625874300--187.1339347
11-Aminoundecanoic acid11-Aminoundecanoic acidME52625917083--202.1799669
1H-Imidazole-4-propionic acid-ME52626010105257--141.0658325
1-Methyl-4-imidazoleacetic acidMethylimidazoleacetic acidME52625275810--141.0658075
1-Methyladenosine1-MethyladenosineME52625327476--282.119585
1-Methylhistamine1-MethylhistamineME5262543614--126.1025869
"1-Methylhydantoin　Glycine anhydride"-ME526255---115.0501956
1-Methylnicotinamide1-Methyl nicotinamideME526256457--137.0709425
1-Methyluric acid1-Methyluric acidME52625769726--181.0366979
2,3-Diphosphoglyceric acid2,3-Diphosphoglyceric acidME526264186004--264.9519375
2,5-Dihydroxybenzoic acidGentisic acidME5262653469--153.0193329
2,6-Diaminopimelic acid2,6-Diaminopimelic acidME526266439283--191.1022863
2-Amino-2-(hydroxymethyl)-1,3-propanediol2-Amino-2-methylol-propane-1,3-diolME5262686503--122.08114
"2-Aminoadipic acid　O-Acetylhomoserine"-ME526269---162.07602
"2-Aminobutyric acid　2-Aminoisobutyric acid"-ME526270---104.0705398
2-(Creatinine-3-yl)propionic acid-ME526267---186.0873564
"2'-Deoxyadenosine　5'-Deoxyadenosine"-ME526261---252.1090725
2'-DeoxycytidineDeoxycytidineME52626213711--228.0978188
2'-DeoxyuridineDeoxyuridineME52626313712--229.081584
2-Hydroxy-4-methylvaleric acidLeucinic acidME526271439960--131.0713125
2-Hydroxybutyric acid2-Hydroxybutyric acidME526272440864--103.0400625
2-Hydroxyoctanoic acid2-Hydroxyoctanoic acidME52627394180--159.1026
2-Hydroxyvaleric acid2-Hydroxyvaleric acidME52627498009--117.0557005
2-Isopropylmalic acid2-Isopropylmalic acidME5262755280523--175.06116
2-Methylserine2-MethylserineME526276439656--120.06552
2-Oxoglutaric acid2-Oxoglutaric acidME52627751--145.0142194
2-Oxoisovaleric acidKetoisovaleric acidME52627849--115.0400309
"3-(4-Hydroxyphenyl)propionic acid　3-(3-Hydroxyp...-ME526279---165.0555336
3-Amino-2-piperidone3-Amino-2-piperidoneME5262805200225--115.0866266
3-Aminobutyric acid3-Aminobutyric acidME52628110932--104.0705456
3-Guanidinopropionic acid3-Guanidinopropanoic acidME52628267701--132.0767523
3-Hydroxy-2-methyl-4-pyroneMaltolME5262838369--127.03891
3-Hydroxy-3-methylglutaric acid3-Hydroxymethylglutaric acidME5262841662--161.0454933
3-Hydroxybutyric acid3-Hydroxybutyric acidME526285441--103.0400393
3-HydroxykynurenineHydroxykynurenineME52628611811--225.086925
3-Indoxylsulfuric acidIndoxyl sulfateME52628710258--212.0022775
3-Methoxytyrosine3-MethoxytyrosineME5262881670--212.0916669
3-Methyladenine3-MethyladenineME5262891673--150.077452
3-Methylhistamine3-MethylhistamineME52629069520--126.1025019
"3-Methylhistidine　1-Methylhistidine"-ME526291---170.0923313
3-Phenylpropionic acidHydrocinnamic acidME526292107--149.0607763
3-Phosphoglyceric acid3-Phosphoglyceric acidME526293439183--184.985628
3-Ureidopropionic acidUreidopropionic acidME526294111--131.0461775
4-Acetamidobutanoic acid4-Acetamidobutanoic acidME52629618189--144.066565
4-Aminohippuric acid4-Aminohippuric acidME5262972148--195.0765613
4-Guanidinobutyric acid4-Guanidinobutanoic acidME526298500--146.0924294
4-Hydroxy-3-methoxyphenylglycol sulfate-ME5262993035420--263.0230229
"4-Methyl-2-oxovaleric acid　3-Methyl-2-oxovaleri...-ME526300---129.055765
4-Methyl-5-thiazoleethanol5-(2-Hydroxyethyl)-4-methylthiazoleME5263011136--144.047782
4-Oxopyrrolidine-2-carboxylic acid4-Oxo-prolineME526302107541--130.0498425
4-Pyridoxic acid4-Pyridoxic acidME5263036723--182.0458853
4-(β-Acetylaminoethyl)imidazoleN-AcetylhistamineME52629569602--154.0974656
5-Amino-4-oxovaleric acid5-Amino-levulinic acidME526305137--132.0655356
5-Aminoindole-ME52630678867--133.0759786
5-Aminovaleric acid5-Aminopentanoic acidME526307138--118.086365
5'-Deoxy-5'-methylthioadenosine5'-MethylthioadenosineME526304439176--298.0966881
5-Hydroxyindoleacetic acid5-Hydroxyindoleacetic acidME5263081826--190.05093
5-Hydroxylysine5-HydroxylysineME5263093032849--163.107575
5-Hydroxypentanoic acid5-Hydroxyvaleric acidME52631025945--117.0557057
"5-Methoxyindoleacetic acid　Indole-3-lactic acid...-ME526311---204.0664669
5-Methyl-2'-deoxycytidine5-Methyl-2'-deoxycytidineME526312440055--242.1135013
5-Methylcytosine5-MethylcytosineME52631365040--126.0662208
5-OxoprolinePyroglutamic acidME5263147405--128.0352913
6-Aminohexanoic acid6-Aminocaproic acidME526315564--132.101865
6-Hydroxyhexanoic acid6-Hydroxycaproic acidME52631614490--131.071302
6-Phosphogluconic acid6-Phosphogluconic acidME52631791493--275.0173367
7,8-Dihydrobiopterin7,8-DihydrobiopterinME526318119055--240.109035
7-Methylguanine7-MethylguanineME52631911361--166.07231
8-Hydroxyoctanoic acid8-Hydroxyoctanoic acidME52632069820--159.102666
Acetoacetamide-ME52632180077--102.054948
Acetoacetic acidAcetoacetic acidME52632296--101.0243605
AdenosineAdenosineME52632360961--268.1039767
Adipic acidAdipic acidME526324196--145.05054
ADMADimethylarginineME526325123831--203.1501788
ADPADPME5263266022--426.0221
ADP-riboseADP-riboseME526327445794--558.064155
AdrenalineEpinephrineME5263285816--184.096744
AlaAlanineME526329602--90.05489625
Albizziine-ME52633092891--148.07162
Allantoic acidAllantoic acidME526331203--175.04724
AllantoinAllantoinME526332204--159.0512275
AMPAMPME5263336083--346.0556275
Anserine_divalentAnserineME526334112072--121.068315
Anthranilic acid2-Aminobenzoic acidME526335227--138.05487
ArgArginineME5263366322--175.1188394
Argininosuccinic acidArgininosuccinic acidME52633716950--291.1297163
Ascorbate 2-phosphate-ME526338131711663--254.991168
Ascorbate 2-sulfate-ME52633954676864--254.98164
AsnAsparagineME526340236--133.06074
AspAspartic acidME526341424--134.0447425
ATPATPME5263425957--505.988635
Azelaic acidAzelaic acidME5263432266--187.0975629
Azetidine 2-carboxylic acid-ME52634416486--102.05501
BetaineBetaineME526345247--118.0862009
BetonicineBetonicineME526346164642--160.096766
BiopterinBiopterinME5263472380--238.0934273
"Butyric acid　Isobutyric acid"-ME526348---87.04513889
ButyrylcarnitineCAR 4:0ME526349439829--232.15413
cAMP3',5' cyclic AMPME5263506076--328.0450617
CarboxymethyllysineN(6)-Carboxymethyl-lysineME526351123800--205.1182481
CarnitineCarnitineME52635285--162.1123625
CarnosineCarnosineME526353439224--227.1137
Cholic acidCholic acidME526354221493--407.2803013
CholineCholineME526355305--104.106895
cis-Aconitic acidcis-Aconitic acidME526356643757--173.0090144
Citric acidCitric acidME526357311--191.01972
CitrullineCitrullineME5263589750--176.1028175
CMPCMPME5263596131--322.04456
CMP-N-acetylneuraminateCMP-N-acetylneuraminic acidME526360448209--613.14001
CreatineCreatineME526361586--132.0767238
CreatinineCreatinineME526362588--114.0661813
CysCysteineME526363594--122.0269594
CystathionineCystathionineME526364834--223.0746513
Cysteine glutathione disulfideS-Glutathionyl-cysteineME52636510455148--427.09485
CystineCystineME526366595--241.0309344
CytidineCytidineME5263676175--244.0927025
Decarboxylated S-AdenosylmethionineS-AdenosylmethioninamineME526368439415--355.1545164
dGDPdGDPME526369439220--426.021775
DiethanolamineDiethanolamineME5263708113--106.0862738
Dihydroorotic acidDihydroorotic acidME526371439216--157.025155
Dihydroxyacetone phosphateDihydroxyacetone phosphateME526372668--168.99073
Dodecanedioic acidDodecanedioic acidME52637312736--229.14433
EctoineEctoineME526374126041--143.0815413
ErgothioneineErgothioneineME5263753037043--230.0957871
EthanolamineEthanolamineME526376700--62.06007738
Ethanolamine phosphatePhosphoethanolamineME5263771015--140.0118
EthionineL-EthionineME52637825674--164.07382
Ethyl glucuronideEthyl glucuronideME52637918392195--221.0665613
FAD_divalentFADME526380643975--391.5715013
Ferulic acidtrans-Ferulic acidME526381445858--193.05056
Formiminoglutamic acidFormiminoglutamic acidME526382439233--173.05664
Formylanthranilic acidFormylanthranilic acidME526383101399--164.0353444
Fructose 6-phosphateFructose 6-phosphateME526384603--259.0221333
Fumaric acidFumaric acidME526385444972--115.00357
Galacturonic acidGalacturonic acidME526386439215--193.03527
GDPGDPME5263878977--442.01716
Gibberellic acidGibberellin A3ME526388439551--347.14758
GlnGlutamineME526389738--147.0763644
GluGlutamic acidME526390611--148.0604069
Glucaric acidGlucaric acidME52639133037--209.0301925
Gluconic acidGluconic acidME52639210690--195.05097
GluconolactoneGluconolactoneME5263937027--179.0549875
"Glucosamine　Galactosamine"-ME526394---180.08658
Glucosaminic acidGlucosaminic acidME52639573563--196.0813933
Glucose 1-phosphateGlucose 1-phosphateME52639665533--259.0224273
Glucose 6-phosphateGlucose 6-phosphateME5263975958--259.0223988
Glucuronic acidGlucuronic acidME52639894715--193.03531
Glutathione (GSH)GlutathioneME526399124886--308.0910773
Glutathione (GSSG)_divalentOxidized glutathioneME52640065359--307.0833331
GlyGlycineME526401750--76.03924813
Gly-AspGly-AspME52640297363--191.0661706
Glyceric acidGlyceric acidME526404439194--105.0192688
GlycerolGlycerolME526405753--93.05450725
Glycerol 3-phosphatesn-Glycero-3-phosphateME526406439162--171.00636
Glycerophosphocholinesn-Glycero-3-phosphocholineME526407439285--258.1100294
Glycocholic acidGlycocholic acidME52640810140--464.30203
Glycolic acidGlycolic acidME526409757--75.00868438
Gly-GlyGly-GlyME52640311163--133.0607725
Glyoxylic acidGlyoxylic acidME526410760--72.99298885
GMPGMPME5264116804--362.0507
GTPGTPME5264126830--521.98334
Guanidinosuccinic acidGuanidinosuccinic acidME526413439918--176.0665338
Guanidoacetic acidGuanidoacetic acidME526414763--118.0610725
GuanineGuanineME526415764--152.0566767
Hexamine-ME5264164101--141.1134367
Hippuric acidHippuric acidME526417464--178.0509119
HisHistidineME526418773--156.0766744
His-GluHis-GluME5264197010583--285.1192457
HistamineHistamineME526420774--112.086921
HomoarginineHomoarginineME5264219085--189.13455
HomocarnosineHomocarnosineME52642210243361--241.12927
HomocitrullineHomocitrullineME52642365072--190.11858
HomocystineHomocystineME526424439579--269.0625056
HomoserineHomoserineME52642512647--120.06551
HomoserinelactoneHomoserine lactoneME52642673509--102.054917
"Homovanillic acid　3,4-Dihydroxyhydrocinnamic ac...-ME526427---181.0506481
HydroxyindoleHydroxyindoleME52642875421--134.0599744
HydroxyprolineHydroxyprolineME5264295810--132.065525
HypotaurineHypotaurineME526430107812--110.0270356
HypoxanthineHypoxanthineME526431790--137.04572
IleIsoleucineME526432791--132.1018575
Imidazole-4-acetic acidImidazoleacetic acidME52643396215--127.0502119
Imidazolelactic acidImidazolelactic acidME526434793--157.0606775
IMPIMPME5264358582--347.0395
Indole-3-acetic acidIndoleacetic acidME526436802--174.0560247
Indole-3-carboxylic acidIndole-3-carboxylic acidME52643769867--160.0403733
Indole-3-propionic acid3-Indolepropionic acidME5264383744--188.0716063
InosineInosineME5264396021--269.08812
Isatin-ME5264407054--148.03928
Isethionic acid2-HydroxyethanesulfonateME5264417866--124.9913631
IsobutyrylcarnitineCAR 3:0;2MeME526442168379--232.153925
Isocitric acidIsocitric acidME5264431198--191.01968
Isoglutamic acidIsoglutamic acidME52644473064--148.060475
"Isovaleric acid　Valeric acid　DL-2-Methylbutyr...-ME526445---101.06081
IsovalerylalanineIsovalerylalanineME526446129285--172.0978688
IsovalerylcarnitineCAR 4:0;3MeME5264476426851--246.1700013
Kynurenic acidKynurenic acidME5264483845--188.0352418
KynurenineKynurenineME526449846--209.0919463
Lactic acidLactic acidME526450612--89.02437688
Lauric acidLauric acidME5264513893--199.1702688
LauroylcarnitineCAR 12:0ME526452168381--344.2795256
LeuLeucineME526453857--132.1018238
LipoamideLipoamideME526454863--206.0658653
LysLysineME526455866--147.1127331
Malic acidMalic acidME526456525--133.0141906
MalonylcarnitineCAR DC3:0ME52645722833583--248.1128879
Mannosamine2-Amino-2-deoxy-D-mannoseME526458440049--180.08658
MetMethionineME526459876--150.0582269
MetanephrineL-MetanephrineME52646021100--198.1124427
Methionine sulfoxideMethionine sulfoxideME526461158980--166.0531969
MethylguanidineMethylguanidineME52646310111--74.07125
Methyl sulfateMethyl sulfateME5264626412--110.97578
Mevalonic acidMevalonic acidME526464134965--147.066245
Mucic acidGalactaric acidME5264653037582--209.030152
MuscimolMuscimolME5264664266--115.0502238
"myo-Inositol 1-phosphate　myo-Inositol 3-phospha...-ME526467---259.0222967
Myristoleic acidMyristoleic acidME5264685281119--225.185875
N-(1-Deoxy-1-fructosyl)valine-ME526470131752247--280.13878
N1-Methyl-4-pyridone-5-carboxamideN1-Methyl-4-pyridone-3-carboxamideME526497440810--153.0658306
N1-Methylguanosine1-MethylguanosineME52649896373--298.1143881
N2-Acetylaminoadipic acidN-Acetyl-2-aminoadipic acidME526499443992--202.07216
N6-AcetyllysineN6-AcetyllysineME52650192832--189.1233013
N6-Methyl-2'-deoxyadenosineN6-Methyl-2'-deoxyadenosineME526502168948--266.123577
N6-MethyllysineN(6)-MethyllysineME526503164795--161.1282988
N6,N6,N6-TrimethyllysineN-6-TrimethyllysineME526500440120--189.1596719
N8-AcetylspermidineN8-AcetylspermidineME526504123689--188.1756825
N-AcetylalanineN-AcetylalanineME52647288064--130.0509769
N-AcetylasparagineN-AcetylasparagineME52647399715--173.0566825
N-Acetylaspartic acidN-Acetylaspartic acidME52647465065--174.0406931
N-Acetylglucosamine 1-phosphateN-Acetyl-D-glucosamine 1-phosphateME526475440272--300.049045
"N-Acetylglucosamine　N-Acetylmannosamine　N-Ace...-ME526476---222.0971063
N-AcetylglucosylamineN-Acetyl-beta-glucosaminylamineME526477439454--221.113132
N-Acetylglutamic acidN-Acetylglutamic acidME52647870914--188.0563725
N-AcetylglutamineN-AcetylglutamineME52647925561--187.0724173
N-AcetylglycineN-AcetylglycineME52648010972--116.0352943
N-AcetylhistidineN-AcetylhistidineME52648175619--198.0872788
N-AcetylleucineN-AcetylleucineME52648270912--172.0978693
N-AcetyllysineN(2)-AcetyllysineME52648392907--189.1233013
N-AcetylmethionineN-AcetylmethionineME526484448580--190.054275
N-Acetylmuramic acidN-Acetylmuramic acidME5264855462244--292.1037218
N-Acetylneuraminic acidN-Acetylneuraminic acidME526486439197--308.09864
N-AcetylornithineN-AcetylornithineME526487439232--175.1076575
N-AcetylphenylalanineN-AcetylphenylalanineME52648874839--206.0821888
N-AcetylputrescineN-AcetylputrescineME526489122356--131.1178969
N-AcetylserineN-AcetylserineME52649065249--148.0604475
N-AcetyltryptophanN-Acetyl-tryptophanME526491439917--245.0931075
N-AcetyltyrosineN-AcetyltyrosineME52649268310--222.07709
N-Acetyl-β-alanineN-Acetyl-beta-alanineME52647176406--130.0508469
Nalidixic acidNalidixic acidME5265054421--231.0773563
N-Ethylmaleimide_+H2ON-EthylmaleimideME5264934362--144.065546
N’-FormylkynurenineN-Formyl-L-kynurenineME526508910--237.0868588
N-FormylmethionineN-FormylmethionineME526494439750--176.038602
N-Glycolylneuraminic acidN-Glycolylneuraminic acidME526495440001--324.0935813
NicotinamideNiacinamideME526506936--123.0552
N-MethylprolineN-Methyl-prolineME526496557--130.0862631
N,N-DimethylglycineDimethylglycineME526469673--104.0705398
"Noradrenaline　6-Hydroxydopamine"-ME526507---170.081096
Nω-MethylarginineTarginineME526509132862--189.13445
O-AcetylcarnitineCAR 2:0ME526510439756--204.1229263
OctanoylcarnitineCAR 8:0ME52651311953814--288.2169429
OctopineOctopineME526514440237--247.14008
o-Hydroxybenzoic acidSalicylic acidME526511338--137.0243693
Ophthalmic acidOphthalmic acidME5265157018721--290.1345
OrnithineOrnithineME526516389--133.0970938
Orotic acidOrotic acidME526517967--155.0098756
OrotidineOrotidineME52651892751--287.052115
O-SulfoserineSerine-O-sulfateME526512164701--183.9919457
Pantothenic acidPantothenic acidME5265216613--218.1033413
Pargyline-ME5265224688--160.1127291
Perillic acidPerillic acidME5265231256--165.0919813
PhePhenylalanineME526524994--166.0861413
"Phenaceturic acid　N-(o-Toluoyl)glycine"-ME526525---192.06658
PhenolPhenolME526526996--93.03451125
PhosphocreatinePhosphocreatineME5265279548602--210.02844
PhosphorylcholineCholine phosphateME5265281014--184.0733388
Phthalic acidPhthalic acidME5265291017--165.01907
"p-Hydroxymandelic acid　Homogentisic acid"-ME526519---167.0349
p-Hydroxyphenylpyruvic acid4-Hydroxyphenylpyruvic acidME526520979--179.034928
Picolinic acidPicolinic acidME5265301018--124.039321
Pipecolic acidPipecolic acidME526531439227--130.0862525
PiperidinePiperidineME5265328082--86.09637714
ProProlineME526533614--116.0705914
Propionic acidPropionic acidME5265341032--73.02939125
Prostaglandin E2PGE2ME5265355280360--351.21765
PutrescinePutrescineME5265361045--89.10726125
PyridoxalPyridoxalME5265371050--168.0654425
PyridoxaminePyridoxamineME5265381052--169.0970914
PyridoxinePyridoxineME5265391054--170.0810122
Pyruvic acidPyruvic acidME5265401060--87.008715
Quinolinic acidQuinolinic acidME5265411066--166.0144536
Retinoic acidRetinoic acidME526542444795--299.2016286
RiboflavinRiboflavinME526543493570--377.1453513
Ribose 5-phosphateRibose 5-phosphateME526544439167--229.0117608
Ribulose 5-phosphateRibulose 5-phosphateME526545439184--229.0116938
SaccharopineSaccharopineME526554160556--277.13933
S-AdenosylhomocysteineS-AdenosylhomocysteineME526546439155--385.1287707
S-AdenosylmethionineS-AdenosylmethionineME52654734755--399.1444563
SarcosineSarcosineME5265551088--90.05490938
S-CarboxymethylcysteineS-Carboxymethyl-cysteineME526548193653--180.0324406
SDMASymmetric dimethylarginineME526556169148--203.1502006
Sebacic acidSebacic acidME5265575192--201.11308
Sedoheptulose 7-phosphateSedoheptulose 7-phosphateME526558165007--289.0329931
SerSerineME526559617--106.0498738
SerotoninSerotoninME5265605202--177.1021581
S-LactoylglutathioneS-LactoylglutathioneME526549440018--380.1121
S-MethylcysteineMethylcysteineME52655024417--136.0426575
S-MethylglutathioneS-MethylglutathioneME526551115260--322.10658
S-MethylmethionineS-MethylmethionineME526552145692--164.073775
SpermidineSpermidineME5265611102--146.165175
SpermineSpermineME5265621103--203.2229788
S-SulfocysteineCysteine-S-sulfateME526553115015--199.9692294
StachydrineStachydrineME526563115244--144.101865
Suberic acidSuberic acidME52656410457--173.0818009
Succinic acidSuccinic acidME5265651110--117.01931
SulfotyrosineSulfotyrosineME526566514186--260.0234875
TaurineTaurineME5265671123--126.0218781
Taurocholic acidTaurocholic acidME52656846783527--514.2841125
TaurocyamineTaurocyamineME52656968340--168.04372
ThiamineThiamineME5265701130--265.1116125
Thiamine diphosphateThiamine diphosphateME5265711132--423.0301
Thiamine phosphateTMPME5265721131--345.0780375
Thiaproline-ME5265739934--134.0269938
ThrThreonineME5265746288--120.06551
Threonic acidThreonic acidME5265765460407--135.0299475
threo-β-Methylaspartic acid-ME526575440064--148.0604033
ThymidineThymidineME5265775789--243.0976013
ThymineThymineME5265781135--127.0500725
trans-Cinnamic acidtrans-Cinnamic acidME526579444539--147.045085
trans-Glutaconic acidGlutaconic acidME5265805280498--131.0339273
TriethanolamineTriethanolamineME5265817618--150.1124869
TrigonellineTrigonellineME5265825570--138.054895
TrimethylamineTrimethylamineME5265831146--60.08088777
Trimethylamine N-oxideTrimethylamine N-oxideME5265841145--76.07563963
TrpTryptophanME5265851148--205.0969844
TyrTyrosineME5265861153--182.0810706
Tyr-GluTyr-GluME526587---311.1236638
Tyrosine methyl esterMethyl tyrosinateME52658870652--196.0968713
UDPUDPME5265896031--402.9953
"UDP-glucose　UDP-galactose"-ME526590---565.0475
"UDP-N-acetylglucosamine　UDP-N-acetylgalactosami...-ME526591---606.0747457
UMPUMPME5265926030--323.02868
UracilUracilME5265931174--113.0344975
UreaUreaME5265941176--61.03965556
Ureidoglycolic acidUreidoglycolic acidME526595439269--133.02545
Uric acidUric acidME5265961175--167.0210475
UridineUridineME5265976029--245.0766425
Urocanic acidUrocanic acidME526598736715--139.0501775
UTPUTPME5265996133--482.96085
ValValineME5266001182--118.08621
XanthineXanthineME5266091188--153.04082
XanthosineXanthosineME52661064959--283.0684
Xanthurenic acidXanthurenic acidME5266115699--204.0300367
"XC0061　Propionylcarnitine"-ME526616---218.138605
"XC0089　Nicotinamide riboside"-ME526619---255.0974569
Xylulose 5-phosphateXylulose 5-phosphateME526626439190--229.0115986
β-Alabeta-AlanineME526627239--90.05492875
β-Ala-Lys-ME526628440638--218.1497038
β-Tyrbeta-TyrosineME526629440311--182.0811089
γ-Butyrobetaine3-DehydroxycarnitineME526630134--146.1175325
γ-Glu-Alagamma-GlutamylalanineME526631440103--219.09752
γ-Glu-Arg_divalentGlu-ArgME52663220719180--152.5843931
γ-Glu-AsnGlu-AsnME526633131801686--262.10327
γ-Glu-AspGlu-AspME526634161197--263.0875314
γ-Glu-Citrulline-ME526635---305.1454906
γ-Glu-Glngamma-GlutamylglutamineME526636150914--276.119064
γ-Glu-Glugamma-Glutamylglutamic acidME52663792865--277.1030169
γ-Glu-Glygamma-GlutamylglycineME526638165527--205.0817956
γ-Glu-Hisgamma-GlutamylhistidineME5266397017195--285.1192975
"γ-Glu-Ile　γ-Glu-Leu"-ME526640---261.144435
γ-Glu-Lys_divalentGlu-LysME52664165254--138.5813525
γ-Glu-Metgamma-GlutamylmethionineME5266427009567--279.1008988
γ-Glu-Ornitine-ME526643189156--262.1394211
γ-Glu-Phegamma-GlutamylphenylalanineME526644111299--295.128695
γ-Glu-Sergamma-Glu-SerME52664522844748--235.0924056
γ-Glu-Taurine5-L-Glutamyl-taurineME52664668759--253.0498756
γ-Glu-Thrgamma-GlutamylthreonineME52664753861142--249.1080819
γ-Glu-TrpGlu-TrpME5266483038501--334.1396044
γ-Glu-Tyrgamma-GlutamyltyrosineME52664994340--311.123785
γ-Glu-Valgamma-GlutamylvalineME5266507015683--247.128785
γ-Glu-Val-GlyGlu-Val-GlyME526651---304.1504175


Analysis: Reversed phase UNSPECIFIED ION MODE

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
1,2-Dipalmitoyl-glycero-3-phosphoethanolamine-1PE 16:0/16:0ME526652---692.52
1,2-Dipalmitoyl-glycero-3-phosphoethanolamine-2PE 16:0/16:0ME526653---692.53
1,2-Distearoyl-glycero-3-phosphocholinePC 18:0/18:0ME526654---790.651
15(S)-HETE15S-HETEME5266565280724--319.226
"17α-Hydroxyprogesterone-1　Deoxycorticosterone-...-ME526657---331.226
"17α-Hydroxyprogesterone-2　Deoxycorticosterone-...-ME526658---331.228
17α-Hydroxyprogesterone-317alpha-HydroxyprogesteroneME5266596238--331.229
1-Myristoyl-glycero-3-phosphocholineLPC 14:0ME526655460604--468.31
20α-Hydroxycholesterol20-HydroxycholesterolME526664121935--367.333
20α-Hydroxyprogesterone-ME5266658956--317.249
21-Deoxycortisol-221-DeoxycortisolME52666692827--347.222
22-Hydroxycholesterol22-HydroxycholesterolME526667167685--385.336
2-Arachidonoylglycerol-1-ME5266605282280--379.284
2-Arachidonoylglycerol-2MG 20:4ME5266615282280--379.285
2-Hydroxytetradecanoic acid-12-Hydroxymyristic acidME5266621563--243.197
"2-Hydroxytetradecanoic acid-2　3-Hydroxytetradec...-ME526663---243.197
3-Hydroxytetradecanoic acid-13-Hydroxytetradecanoic acidME52666816064--243.197
4-Androstene-3,17-dioneAndrostenedioneME5266696128--287.199
5-Methoxyindoleacetic acid5-Methoxyindoleacetic acidME52667018986--206.081
5α-Cholestan-3-one-15alpha-CholestanoneME52667192128--387.36
5α-Cholestan-3-one-25alpha-CholestanoneME52667292128--387.369
5α-Pregnan-3α-ol-20-one3alpha-Hydroxy-5alpha-pregnan-20-oneME52667392786--301.25
"5α-Pregnane-3,20-dione　Pregnenolone"-ME526674---317.254
"7-Dehydrocholesterol-1　Desmosterol-1"-ME526675---367.334
"7-Dehydrocholesterol-2　Desmosterol-2"-ME526676---367.335
"7-Dehydrocholesterol-3　Desmosterol-3"-ME526677---367.336
Abietic acid-1Abietic acidME52667810569--303.233
Abietic acid-2Abietic acidME52667910569--303.234
AC(10:0)CAR 10:0ME52668010245190--316.248
AC(12:0)-1CAR 12:0ME526681---344.278
AC(12:0)-2CAR 12:0ME526682---344.28
AC(12:1)CAR 12:1ME526683---342.262
AC(13:1)CAR 13:1ME526684---356.28
AC(14:0)-1CAR 14:0ME526685---372.313
AC(14:0)-2CAR 14:0ME526686---372.313
AC(14:1)-1CAR 14:1ME526687---370.293
AC(14:1)-2CAR 14:1ME526688---370.293
AC(14:1)-3CAR 14:1ME526689---370.294
AC(14:2)CAR 14:2ME526690---368.28
AC(14:3)CAR 14:3ME526691---366.258
AC(15:0)CAR 15:0ME526692---386.323
AC(16:1)-1CAR 16:1ME526693---398.327
AC(16:1)-2CAR 16:1ME526694---398.328
AC(16:2)-1CAR 16:2ME526695---396.311
AC(16:2)-2CAR 16:2ME526696---396.313
AC(17:0)-1CAR 17:0ME526697---414.354
AC(17:0)-2CAR 17:0ME526698---414.357
AC(17:0)-3CAR 17:0ME526699---414.358
AC(17:1)CAR 17:1ME526700---412.34
AC(18:0)CAR 18:0ME526701---428.375
AC(18:1)-1CAR 18:1ME526702---426.354
AC(18:1)-2CAR 18:1ME526703---426.36
AC(18:2)-1CAR 18:2ME526704---424.342
AC(18:2)-2CAR 18:2ME526705---424.344
AC(20:0)CAR 20:0ME526706---456.403
AC(20:1)CAR 20:1ME526707---454.387
AC(22:0)CAR 22:0ME526708---484.434
AEA(18:3)-ME526709---322.268
AEA(20:3)-ME526710---350.294
AEA(20:5)-ME526711---346.263
AEA(22:4)-1-ME526712---376.319
AEA(22:4)-2-ME526713---376.322
AEA(22:6)-ME526714---372.291
AnandamideArachidonoyl-EAME5267155281969--348.288
Androstanediol5alpha-Androstane-3beta,17beta-diolME526716441301--310.269
AndrosteroneAndrosteroneME5267175879--273.226
Arachidic acidArachidic acidME52671810467--311.295
Arachidonic acidArachidonic acidME526719444899--303.235
Asiatic acid-1Asiatic acidME526720119034--487.337
Asiatic acid-2Asiatic acidME526721119034--487.343
AstaxanthinAstaxanthinME5267225281224--597.402
Baicalein-ME5267235281605--269.046
Behenic acidBehenic acidME5267248215--339.329
BiotinBiotinME526725171548--245.094
Caffeic acidCaffeic acidME526726689043--135.045
CampesterolCampesterolME526727173183--383.366
Chenodeoxycholic acidChenodeoxycholic acidME52672810133--391.284
CholesterolCholesterolME5267295997--369.351
Cholesterol sulfateCholesterol sulfateME52673065076--465.304
Cholic acidCholic acidME526731221493--407.28
cis-11,14-Eicosadienoic acid-111Z,14Z-Eicosadienoic acidME5267326439848--307.259
cis-11,14-Eicosadienoic acid-211Z,14Z-Eicosadienoic acidME5267336439848--307.266
cis-11,14-Eicosadienoic acid-311Z,14Z-Eicosadienoic acidME5267346439848--307.267
cis-11-Eicosenoic acidcis-Gondoic acidME5267355282768--309.283
cis-4,7,10,13,16,19-Docosahexaenoic acid-1-ME526736---328.236
cis-4,7,10,13,16,19-Docosahexaenoic acid-2DHAME526737445580--327.232
cis-5,8,11,14,17-Eicosapentaenoic acidEPAME526738446284--301.219
cis-8,11,14-Eicosatrienoic acidDihomo-gamma-linolenic acidME5267395280581--305.251
Corosolic acid-ME5267406918774--455.345
"Cortexolone　Corticosterone　21-Deoxycortisol-1...-ME526741---347.222
"Cortisol-1　18-Hydroxycorticosterone　Humulone-...-ME526742---363.215
"Cortisol-2　Humulone-2"-ME526743---363.216
"Cycloartenol　Lanosterol"-ME526744---409.384
DaidzeinDaidzeinME5267455281708--253.051
Deoxycholic acidDeoxycholic acidME526746222528--391.286
DethiobiotinDethiobiotinME526747643--215.138
DiosgeninDiosgeninME52674899474--415.319
Ergocalciferol-1Vitamin D2ME5267495280793--397.349
Ergocalciferol-2Vitamin D2ME5267505280793--397.35
Erucic acidcis-Erucic acidME5267515281116--337.314
Ethyl arachidonate-1-ME5267525367369--333.28
Ethyl arachidonate-2-ME5267535367369--333.283
Ethynyl estradiol17alpha-Ethinyl estradiolME5267545991--297.182
Etiocholan-3α-ol-17-one glucuronide-ME526755443078--465.24
FA(12:0)Lauric acidME5267563893--199.171
FA(14:1)-1Tetradecenoic acidME526757---225.186
FA(14:1)-2Tetradecenoic acidME526758---225.186
FA(14:2)-1Tetradecadienoic acidME526759---223.168
FA(14:2)-2Tetradecadienoic acidME526760---223.171
FA(14:3)Tetradecatrienoic acidME526761---221.154
FA(15:0)Pentadecylic acidME52676213849--241.217
FA(15:1)Pentadecenoic acidME526763---239.202
FA(16:2)-1Hexadecadienoic acidME526764---251.202
FA(16:2)-2Hexadecadienoic acidME526765---251.203
FA(16:3)-1Hexadecatrienoic acidME526766---249.186
FA(16:3)-2Hexadecatrienoic acidME526767---249.189
FA(17:0)-1Margaric acidME52676810465--269.248
FA(17:1)Heptadecenoic acidME526769---267.233
FA(17:2)Heptadecadienoic acidME526770---265.216
FA(17:3)Heptadecatrienoic acidME526771---263.203
FA(19:0)-1Nonadecylic acidME52677212591--297.276
FA(19:0)-2Nonadecylic acidME52677312591--297.279
FA(19:1)Nonadecenoic acidME526774---295.265
FA(19:2)Nonadecadienoic acidME526775---293.247
FA(20:3)Eicosatrienoic acidME526776---305.251
FA(22:2)Docosadienoic acidME526777---335.298
FA(22:3)-1Docosatrienoic acidME526778---333.282
FA(22:3)-2Docosatrienoic acidME526779---333.283
FA(22:4)-1Docosatetraenoic acidME526780---331.256
FA(22:4)-2Docosatetraenoic acidME526781---331.266
FA(22:5)-1Docosapentaenoic acidME526782---329.249
FA(22:5)-2Docosapentaenoic acidME526783---329.249
FA(24:0)Lignoceric acidME52678411197--367.358
FA(24:4)Tetracosatetraenoic acidME526785---359.296
FA(24:5)Tetracosapentaenoic acidME526786---357.282
FA(25:3)Pentacosatrienoic acidME526787---375.327
FlavanoneFlavanoneME52678810251--225.091
GenisteinGenisteinME5267895280961--269.046
GlyciteinGlyciteinME5267905317750--285.075
Glycochenodeoxycholic acidGlycochenodeoxycholic acidME52679112544--448.311
Glycocholic acidGlycocholic acidME52679210140--464.303
Glycodeoxycholic acidGlycodeoxycholic acidME5267933035026--448.303
Glycolithocholic acidGlycolithocholic acidME526794115245--432.316
Glycoursodeoxycholic acidGlycoursodeoxycholic acidME52679512310288--448.308
Hecogenin-1HecogeninME52679691453--431.316
Hecogenin-2HecogeninME52679791453--431.317
"Heneicosanoic acid　19-Methylarachidic acid"-ME526798---325.311
"Heptadecanoic acid-1　FA(17:0)-2"-ME526799---269.248
"Heptadecanoic acid-2　FA(17:0)-3"-ME526800---269.249
Hydroxyprogesterone caproate-ME526801169870--429.298
Hyodeoxycholic acidHyodeoxycholic acidME5268025283820--391.285
Indole-3-carboxaldehyde1H-Indole-3-carboxaldehydeME52680310256--146.061
IsoliquiritigeninIsoliquiritigeninME526804638278--257.081
Kynurenic acidKynurenic acidME5268053845--190.051
Leukotriene B4LTB4ME5268065280492--335.221
Linoleic acidLinoleic acidME5268075280450--280.237
Linolenic acidOctadecatrienoic acidME5268085280934--277.218
Linoleyl ethanolamideLinoleoyl-EAME5268095283446--324.29
LiquiritigeninLiquiritigeninME526810114829--257.081
Lithocholic acidLithocholic acidME5268119903--375.291
LPC(24:0)LPC 24:0ME52681224779481--608.455
LupuloneLupuloneME52681368051--413.264
LuteinLuteinME5268145281243--551.438
Myristic acidMyristic acidME52681511005--227.202
N-AcetylsphingosineCer 18:1;O2/2:0ME5268165497136--342.294
Nervonic acidNervonic acidME5268175281120--365.342
Oleic acidOleic acidME526818445639--281.248
"Oleoyl ethanolamide-1　AEA(18:1)-1"-ME526819---326.304
"Oleoyl ethanolamide-2　AEA(18:1)-2"-ME526820---326.305
Palmitic acidPalmitic acidME526821985--255.233
Palmitoleic acidPalmitoleic acidME526822445638--253.218
PalmitoylcarnitineCAR 16:0ME52682311953816--400.344
PalmitoylethanolamidePalmitoyl-EAME5268244671--300.288
Pentadecanoic acidPentadecylic acidME52682513849--241.218
PhytosphingosinePhytosphingosineME526826122121--318.298
ProgesteroneProgesteroneME5268275994--315.23
Prostaglandin D2PGD2ME526828448457--370.257
QuercetinQuercetinME5268295280343--301.037
Retinol-1RetinolME526830445354--269.226
Retinol-2RetinolME526831445354--269.227
Retinol-3RetinolME526832445354--269.227
RiboflavinRiboflavinME526833493570--377.145
Ricinoleic acid-1Ricinoleic acidME526834643684--297.242
Ricinoleic acid-2Ricinoleic acidME526835643684--297.242
Ricinoleic acid-3Ricinoleic acidME526836643684--297.243
Sitosterol-1SitosterolME526837222284--397.383
Sitosterol-2SitosterolME526838222284--397.385
SphinganineSphinganineME52683991486--302.309
Sphingomyelin(d18:1/16:0)SM 18:1;O2/16:0ME5268409939941--703.58
Sphingomyelin(d18:1/18:0)SM 18:1;O2/18:0ME5268416453725--731.598
SphingosineSphingosineME5268425280335--300.288
Stearic acidStearic acidME5268435281--284.268
Stearidonic acidStearidonic acidME5268445312508--275.2
Stearoyl ethanolamideStearoyl-EAME52684527902--328.321
StigmasterolStigmasterolME5268465280794--395.368
Taurochenodeoxycholic acidTaurochenodeoxycholic acidME526847387316--498.287
Taurocholic acidTaurocholic acidME5268486675--515.29
Taurodeoxycholic acidTaurodeoxycholic acidME5268492733768--498.288
Taurolithocholic acidTaurolithocholic acidME526850439763--482.295
Tauroursodeoxycholic acidTauroursodeoxycholic acidME5268519848818--498.287
TestosteroneTestosteroneME5268526013--289.213
Testosterone acetateTestosterone acetateME52685392145--331.23
ThyroxineThyroxineME5268545819--777.681
TrilaurinTG 12:0/12:0/12:0ME52685510851--656.587
Ursodeoxycholic acidUrsodeoxycholic acidME52685631401--391.284
ZeaxanthinZeaxanthinME5268575280899--569.425
α-Tocopherolalpha-TocopherolME52685814985--431.388
α-Tocopherol acetateTocopherol acetateME52685986472--490.425
β-Cryptoxanthin-1-ME5268605281235--553.433
β-Cryptoxanthin-2CryptoxanthinME5268615281235--553.436
"β-Estradiol　17α-Estradiol"beta-EstradiolME526862---273.189
γ-Tocopherolgamma-TocopherolME52686392729--417.369


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