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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-Methyladenosine1-MethyladenosineME383623-C024941.38282.1203
2,4-Dihydroxybutanoic acid2,4-Dihydroxybutanoic acidME383481--1.06119.0347
2,6-Dihydroxybenzoic acid2,6-Dihydroxybenzoic acidME383530--5.1153.0185
2-Aminobutyric acid (or isomers)2-Aminobutyric acidME383460-C022610.87102.057
2-Hydroxy-2-methylbutanoic acid2-Hydroxy-2-methyl-butyric acidME383477--3.64117.0558
2-Hydroxy-3-methylbutyric acid2-Hydroxy-3-methylbutyric acidME383478--3.89117.0565
2-Hydroxybutyric Acid2-Hydroxybutyric acidME383461--2.25103.0408
2-Hydroxyethanesulfonic acid2-HydroxyethanesulfonateME383485-C051231.04124.9924
2-Hydroxyphenylacetate2-Hydroxyphenylacetic acidME383526-C058524.93151.0407
2-Ketoisovaleric acidKetoisovaleric acidME383471-C001412.99115.0411
2-Methylbutyrylglycine2-MethylbutyrylglycineME383536--4.12158.0841
2-Methylhippuric acid2-Methylhippuric acidME383588--4.99194.0789
3,4-Dihydroxyhydrocinnamic acid3,4-Dihydroxyhydrocinnamic acidME383569-C011974.48181.0476
3-(4-Hydroxyphenyl)LactateHydroxyphenyllactic acidME383570-C036723.86181.0519
3-(4-Hydroxyphenyl)propionic acidDesaminotyrosineME383546-C017445.04165.0578
3-(4-Hydroxyphenyl)pyruvic acid4-Hydroxyphenylpyruvic acidME383564-C011793.37179.0365
3,5-Dihydroxybenzoic acid3,5-Dihydroxybenzoic acidME383531--3.16153.019
3-Aminosalicylic acid3-Aminosalicylic acidME383532--1.64154.0479
3-Hydroxy-3-Methylglutarate3-Hydroxymethylglutaric acidME383540-C037612.13161.0453
3-Methylglutaconic acid3E-Methylglutaconic acidME383507--4.03143.0348
3-Methylhistamine3-MethylhistamineME383486--0.73126.1028
3-Methyl-L-Histidine3-MethylhistidineME383550-C011520.78170.0927
3-Phenyllactic acidPhenyllactic acidME383545-C056075.44165.0568
3-UreidopropionateUreidopropionic acidME383502-C026421.16133.061
4-Acetamidobutanoate4-Acetamidobutanoic acidME383517-C003342.62146.0815
4-AcetamidophenolAcetaminophenME383529-C068043.59152.0686
4-Guanidino butanoate4-Guanidinobutanoic acidME383518-C010351.09146.0925
4-Hydroxybenzoic acid4-Hydroxybenzoic acidME383504-C001564.11137.0258
4-Hydroxyhippuric acid4-Hydroxyhippuric acidME383587--3.39194.0482
4-Hydroxyphenylacetate4-Hydroxyphenyl acetateME383527-C006424.41151.0407
4-HydroxyphenylacetylglycineHydroxyphenylacetylglycineME383600--3.41208.0634
4-Hydroxyphenylpropionylglycine-ME383605--4.09222.0792
4-Imidazoleacetic AcidImidazoleacetic acidME383487-C028350.88127.0505
4-Methyl-2-Oxovaleric AcidKetoleucineME383489-C002334.68129.0558
4-Pyridoxate4-Pyridoxic acidME383572-C008472.65182.0464
5,6-DihydrouracilDihydrouracilME383472-C004291.19115.0505
5-Aminovaleric acid5-Aminopentanoic acidME383475-C004310.86116.0732
5-Hydroxy-L-Tryptophan5-Hydroxy-tryptophanME383604-C006432.65221.0927
5-Hydroxymethyl-2-furancarboxylic acidSumiki's acidME383506-C204483.26143.034
Acetyl-L-carnitineCAR 2:0ME383595-C025711.2204.1235
AdenosineAdenosineME383622-C002122.55268.1043
Adenosine 3',5'-Cyclic Monophosphate3',5' cyclic AMPME383627-C005753.21328.0478
Adipic acidAdipic acidME383511-C061043.87145.0515
AllantoinAllantoinME383534-C015510.88157.0372
Alpha-Aminoadipatealpha-Aminoadipic acidME383541-C009560.93162.0767
Alpha-D-Glucose 1-Phosphate (or isomers)Glucose 1-phosphateME383620-C001030.92261.0373
alpha-Ketoglutaric acid2-Oxoglutaric acidME383510-C000261.33145.0144
Azelaic AcidAzelaic acidME383576-C082616.38187.0994
Beta-N-Acetylglucosamine (or isomers)Beta-N-AcetylglucosamineME383606-C038780.94222.0972
beta-PseudouridinePseudouridineME383613-C020671.17243.0625
CadaverineCadaverineME383462-C016720.71103.1234
Capryloyl glycineCapryloylglycineME383594--7.38202.1443
cis-Aconitic acidcis-Aconitic acidME383553-C004172.02173.0092
CitrullineCitrullineME383556-C003270.87174.0895
CreatineCreatineME383498-C003000.89132.0771
CreatinineCreatinineME383469-C007910.84114.067
CystathionineCystathionineME383607-C022910.81223.0751
CytidineCytidineME383612-C004750.91242.0819
Cytidine 2',3'-Cyclic Mono-Phos-Phate2',3' cyclic CMPME383625-C023540.88306.0493
CytosineCytosineME383467-C003800.83112.0507
D-Arabitol (or isomers)ArabitolME383528-D000610.87151.0629
Deoxycarnitine3-DehydroxycarnitineME383519--0.86146.118
DeoxyuridineDeoxyuridineME383609-C005262.39227.0698
D-Galactonic acid (or isomers)Galactonic acidME383590-C008800.91195.0532
D-Galacturonic acid (or isomers)Galacturonic acidME383585-C003330.92193.0371
D-Glucono-1,5-LactoneGluconolactoneME383566-C001980.89179.0548
D-Glucose 6-PhosphateGlucose 6-phosphateME383618-C032511259.0153
D-Glucose (or isomers)GlucoseME383567-C000310.9179.0562
D-Gulonic Acid Gama-LactoneGulonic acidME383562-C008000.89177.042
Dihydro-5-methyl-2,4(1H,3H)-pyrimidinedioneDihydrothymineME383490-C009062.38129.0662
D-Mannosamine (or isomers)2-Amino-2-deoxy-D-mannoseME383568-C035700.8180.0868
D-Pantothenic AcidPantothenic acidME383603-C122763.65220.1183
D-Ribose (or isomers)RiboseME383524-C001210.92149.0465
D-Sorbitol (or isomers)SorbitolME383571-C007940.87181.0733
Erucamide13Z-DocosenamideME383628--10.61338.3438
Erucic Acidcis-Erucic acidME383629-C0831610.12339.3254
Ethylmalonic AcidEthylmalonic acidME383496--3.18131.0349
Ferulatetrans-Ferulic acidME383591-C014945.34195.0632
FumarateFumaric acidME383470-C001221.33115.0046
Glutamic acid (or isomers)Glutamic acidME383514-C000250.87146.0477
GlutamineGlutamineME383512-C000640.85145.0632
GlutarateGlutaric acidME383495-C004892.84131.0349
GlycineGlycineME383456-C000370.8374.0254
Glycolic acidGlycolic acidME383457-C001600.9575.0099
GuanidinoacetateGuanidoacetic acidME383479-C005810.83118.0612
Guanosine 3',5'-Cyclic Monophosphate3',5' cyclic GMPME383631-C009423.06344.043
HippurateHippuric acidME383563-C015864.45178.054
HistamineHistamineME383468-C003880.71112.087
HomocitrullineHomocitrullineME383577-C024270.91188.1071
Homovanillic acidHomovanillic acidME383574-C055824.81183.0634
Homovanillic acid sulfate-ME383619--4.25261.0093
HypotaurineHypotaurineME383465-C005190.86108.0133
Indole-3-AcetateIndoleacetic acidME383561-C009545.84176.0712
Indole-3-Carboxaldehyde1H-Indole-3-carboxaldehydeME383515-C084935.6146.0603
Indole-3-lactic acidIndole-3-lactic acidME383599-C020435.41206.085
InosineInosineME383621-C002942.65267.0727
IsocaproylglycineIsocaproylglycineME383552--5.57172.1007
IsoleucineIsoleucineME383500-C004072.08132.1023
Itaconic acidItaconic acidME383488-C004902.01129.0193
Kynurenic acidKynurenic acidME383581-C017174.45190.0503
Lactic acidLactic acidME383459-C014321.2889.0251
L-ArginineArginineME383559-C000620.78175.1199
L-AsparagineAsparagineME383501-C001520.82133.0609
L-Aspartic acidAspartic acidME383497-C000490.93132.0319
L-CarnitineCarnitineME383542-C003180.83162.1129
LeucineLeucineME383499-C001232.26132.1022
L-GlutamineGlutamineME383521-C000640.83147.0765
L-HomoarginineHomoarginineME383579-C019240.84189.1342
L-MethionineMethionineME383525-C000731.33150.0586
L-PhenylalaninePhenylalanineME383547-C000793.25166.0866
L-Pyroglutamic acidPyroglutamic acidME383491-C018791.63130.0501
L-SerineSerineME383464-C000650.81106.0502
L-Threonine (or isomers)ThreonineME383482-C001880.84120.0655
LysineLysineME383522-C000470.74147.1133
MaltotrioseMaltotrioseME383633-C018350.94503.1654
Mannitol (or isomers)MannitolME383575-C003920.87183.0862
Methyl Beta-D-GalactosideMethyl beta-D-galactosideME383586-C036190.88193.0716
Methyl Indole-3-AcetateIndole-3-methyl acetateME383583-C206356.78190.0864
Methylsuccinic acidMethylsuccinic acidME383494--3.32131.0348
N-(2-Furoyl)glycine2-FuroylglycineME383549--3.34170.0449
N-(3-Indolylacetyl)-L-alanine-ME383616--5.56247.1084
N-(3-Phenylpropionyl)glycinePhenylpropionylglycineME383598--5.69206.0848
N-Acetyl-Dl-Glutamic AcidN-Acetylglutamic acidME383582--1.74190.0714
N-Acetyl-Dl-MethionineN-AcetylmethionineME383584-C027124.14192.0694
N-Acetyl-Dl-SerineN-AcetylserineME383513--1.12146.0473
N-Acetyl-D-Mannosamine (or isomers)N-Acetyl-mannosamineME383602-C006450.92220.0784
N-AcetylglycineN-AcetylglycineME383473--1.19116.0365
N-Acetyl-L-AlanineN-AcetylalanineME383492--1.9130.0523
N-Acetyl-L-aspartic acidN-Acetylaspartic acidME383555-C010421.29174.0419
N-Acetyl-L-LeucineN-AcetylleucineME383551-C027105.41172.0992
N-Acetyl-L-tyrosineN-AcetyltyrosineME383608--4.12224.0925
N-AcetylneuraminateN-Acetylneuraminic acidME383626-C199101.01308.0982
N-AcetyltryptophanN-Acetyl-tryptophanME383615--5.58245.096
N-Alpha-Acetyl-L-AsparagineN-AcetylasparagineME383558--0.9175.0715
N-alpha-Acetyl-L-LysineN(2)-AcetyllysineME383578-C129890.95189.1236
N-ButyrylglycineN-ButyrylglycineME383516--3.26146.0814
N-Caproylglycine-ME383557--5.69174.1175
N-(Cinnamoyl)glycineCinnamoylglycineME383597--5.82206.0818
Nepsilon,Nepsilon,Nepsilon-TrimethyllysineN-6-TrimethyllysineME383580--0.76189.16
N-Formyl-L-methionineN-FormylmethionineME383560-C031453.69176.0396
NicotinamideNiacinamideME383483-C001531.4123.0556
Nicotinuric acidNicotinuric acidME383565-C053802.63179.0471
N-Isobutyrylglycine/butyrylglycine (coelute)-ME383509--3.2144.0683
N-Isovaleroylglycine-ME383539--4.29160.0972
N-Methyl-L-Glutamate (or isomers)N-Methyl-glutamic acidME383538-C010460.9160.0611
N,N-Dimethylglycine (or isomers)DimethylglycineME383463-C010260.85104.0707
O-Acetyl-L-Serine (or isomers)O-AcetylserineME383523-C009790.84148.0608
Orotic acidOrotic acidME383533-C002951.23155.0113
Pantothenic acidPantothenic acidME383601-C008643.62218.1035
p-Coumaric acidcis-p-Coumaric acidME383544-C008115.19165.0552
Phenylacetic acidPhenylacetic acidME383503-C070865.89135.0466
PhenylacetylglycinePhenylacetylglycineME383589-C055984.86194.0813
Phenylpyruvic acidPhenylpyruvic acidME383543-C001665.08163.0416
Pimelic acidPimelic acidME383537-C026564.78159.0662
PipecolatePipecolic acidME383493--1.2130.0866
ProlineProlineME383474-C001480.93116.0706
RiboflavinRiboflavinME383632-C002554.96377.1458
Sebacic acidSebacic acidME383593-C082776.92201.1153
SN-glycero-3-Phosphocholinesn-Glycero-3-phosphocholineME383617-D073490.85258.1103
SpermidineSpermidineME383520-C003150.7146.1653
Stachyose (or isomers)StachyoseME383634-C016130.95665.2143
Suberic AcidSuberic acidME383554-C082785.63173.0831
SuberylglycineSuberylglycineME383610--4.71232.1187
Succinic acidSuccinic acidME383476-C000421.75117.0194
Syringic acidSyringic acidME383592-C108334.77197.0471
TaurineTaurineME383484-C002450.85124.0078
ThymidineThymidineME383611-C002143.25241.0851
Tiglyl glycineTiglylglycineME383535--4.04158.0815
TrigonellineTrigonellineME383505-C010040.9138.0548
Trimethylamine N-oxideTrimethylamine N-oxideME383458-C011040.8576.076
TryptophanTryptophanME383596-C000783.88205.0975
Turanose (or isomers)TuranoseME383630-C196360.9341.1115
TyrosineTyrosineME383573-C000821.71182.0815
UracilUracilME383466-C001061.21111.021
UridineUridineME383614-C002991.77243.0647
ValineValineME383480-C001831.16118.0865
Valproic acidValproic acidME383508-C071858.03143.1088
Vanillic acidVanillic acidME383548-C066724.59167.0367
XanthosineXanthosineME383624-C017622.99285.0825


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