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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
3-Methyleneoxindole3-MethyleneoxindoleME403037-C02796--
4-Acetamidobutanoate4-Acetamidobutanoic acidME403038-C02946--
5-Hydroxyindoleacetate5-Hydroxyindoleacetic acidME403039-C05635--
5-Hydroxyisourate5-Hydroxyisouric acidME403040-C11821--
(5-L-Glutamyl)-L-glutaminegamma-GlutamylglutamineME403035-C05283--
AcetylcholineAcetylcholineME403041-C01996--
AlanineAlanineME403042-C00041--
AllantoateAllantoic acidME403043-C00499--
Anthranilate2-Aminobenzoic acidME403044-C00108--
ArginineArginineME403045-C00062--
AsparagineAsparagineME403046-C00152--
AspartateAspartic acidME403047-C00049--
CholineCholineME403048-C00114--
CreatineCreatineME403049-C00300--
CreatinineCreatinineME403050-C00791--
CysteineCysteineME403051-C00097--
CystineCystineME403052-C00491--
DimethylglycineDimethylglycineME403053-C01026--
DopamineDopamineME403054-C03758--
gamma-Glutamyl-gamma-aminobutyrate4-(Glutamylamino) butanoateME403055-C15767--
gamma-Glutamyl-Se-methylselenocysteinegamma-Glutamyl-Se-methylselenocysteineME403056-C05695--
gamma-L-Glutamyl-D-alaninegamma-L-Glutamyl-D-alanineME403057-C03738--
GlutamateGlutamic acidME403058-C00025--
GlutamineGlutamineME403059-C00064--
Glutathione disulfideOxidized glutathioneME403060-C00127--
GuanineGuanineME403061-C00242--
HistidineHistidineME403062-C00135--
HypoxanthineHypoxanthineME403063-C00262--
IndoleIndoleME403064-C00463--
Indole-3-acetaldehydeIndoleacetaldehydeME403065-C00637--
Indole-3-acetateIndoleacetic acidME403066-C00954--
IndolepyruvateIndolepyruvateME403067-C00331--
IndoxylIndoxylME403068-C05658--
IsoleucineIsoleucineME403069-C00407--
kynurenineKynurenineME403070-C00328--
L-AdrenalineEpinephrineME403071-C00788--
L-CarnitineCarnitineME403072-C00318--
L-CitrullineCitrullineME403073-C00327--
LeucineLeucineME403074-C00123--
LysineLysineME403075-C00047--
MethionineMethionineME403076-C00073--
N-AcetylornithineN-AcetylornithineME403077-C00437--
N-formyl kynurenineN-Formyl-L-kynurenineME403078-C02700--
NicotinamideNiacinamideME403079-C00153--
OrnithineOrnithineME403080-C01602--
PhenylalaninePhenylalanineME403081-C00079--
ProlineProlineME403082-C00148--
S-Adenosyl-L-homocysteineS-AdenosylhomocysteineME403083-C00021--
(S)(+)-AllantoinAllantoinME403036-C02350--
SerineSerineME403084-C00065--
S-Glutathionyl-L-cysteineS-Glutathionyl-cysteineME403085-C05526--
SpermidineSpermidineME403086-C00315--
SpermineSpermineME403087-C00750--
Sphinganine 1-phosphateSphinganine 1-phosphateME403088-C01120--
Sphingosine 1-phosphateSphingosine 1-phosphateME403089-C06124--
ThreonineThreonineME403090-C00188--
TryptophanTryptophanME403091-C00078--
TyrosineTyrosineME403092-C00082--
UrateUric acidME403093-C00366--
ValineValineME403094-C00183--
XanthineXanthineME403095-C00385--


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
1-3-Bisphosphoglycerate3-Phospho-D-glyceroyl dihydrogen phosphateME403096-C002360.59264.9522
2',3'-Cyclic CMP2',3' cyclic CMPME403097-C023540.73304.0387
2/3-Phospho-D-glycerate2-Phosphoglyceric acidME403098-C006310.55184.9845
2-Hydroxyglutarate/Citramalate2-Hydroxyglutaric acidME403099-C026300.58147.0285
2-Oxoglutaramate2-Keto-glutaramic acidME403100-C009400.62144.0289
2-Oxoglutarate2-Oxoglutaric acidME403101-C000260.56145.0129
4-Pyridoxate4-Pyridoxic acidME403102-C008471.03182.0449
5-6-DihydrothymineDihydrothymineME403103-C009060.65127.0498
5-OxoprolinePyroglutamic acidME403104-C018790.62128.0339
ADPADPME403105-C000080.56426.0218
alpha-D-Glucosamine 1-phosphateGlucosamine 1-phosphateME403106-C061560.65258.0381
alpha-D-Ribose 1-phosphateRibose 1-phosphateME403107-C006200.62229.0114
AMPAMPME403108-C000200.63346.0547
AscorbateVitamin CME403109-C000720.64175.0234
ATPATPME403110-C000020.57505.9875
beta-L-Arabinose 1-phosphate-ME403111-C039060.58229.0114
CarnosineCarnosineME403112-C003860.67225.0979
CitrateCitric acidME403113-C001580.55191.0185
CystathionineCystathionineME403114-C005420.63221.0591
CytidineCytidineME403115-C004750.64242.0786
D-ArabitolArabitolME403116-C019040.66151.0600
Decanoic acid (caprate)Capric acidME403117-C015712.18171.1380
DehydroascorbateDehydroascorbic acidME403118-C054220.55173.0077
D-Fructose 1-6-bisphosphateFructose 1,6-bisphosphateME403119-C003540.50338.9879
D-GlucoseGlucoseME403120-C000310.65179.0548
DiphosphatePyrophosphateME403121-C000130.58176.9348
D-RhamnoseRhamnoseME403122-C016840.67163.0604
D-RiboseRiboseME403123-C001210.63149.0444
Ethanolamine phosphatePhosphoethanolamineME403124-C003460.61140.0105
FumarateFumaric acidME403125-C001220.56115.0020
GlutathioneGlutathioneME403126-C000510.63306.0761
Heptanoic acidHeptylic acidME403127-C177141.79129.0907
Hexanoic acid (caproate)Caproic acidME403128-C015851.71115.0750
Hexose phosphateHexose 6-phosphateME403129-C029650.52259.0202
HomocarnosineHomocarnosineME403130-C008840.67239.1140
IDPIDPME403131-C001040.57427.0072
InosineInosineME403132-C002940.63267.0721
LactateLactic acidME403133-C014320.6289.0227
L-ArabinoseLyxoseME403134-C002590.63149.0446
L-HomocysteineHomocysteineME403135-C001550.67134.0273
L-Methionine S-oxideMethionine sulfoxideME403136-C029890.65164.0374
MalateMalic acidME403137-C001490.56133.0128
MaltoseMaltoseME403138-C002080.66341.1085
MaltotrioseMaltotrioseME403139-C018350.65503.1606
MannitolMannitolME403140-C003920.67181.0702
N-AcetylneuraminateN-Acetylneuraminic acidME403141-C002700.61308.0977
N-Methylethanolamine phosphateN-Methylethanolamine phosphateME403142-C012100.64154.0247
Nonanoic acid (pelargonate)Pelargonic acidME403143-C016012.06157.1220
N-Succinyl-L-citrullineN(2)-Succinyl-citrullineME403144-C180480.59274.1041
Octadecenoic acid (oleic acid)Oleic acidME403145-C007123.04281.2482
Octanoic acid (caprylate)Caprylic acidME403146-C064231.92143.1062
PantothenatePantothenic acidME403147-C008640.65218.1026
PhosphatePhosphoric acidME403148-C000090.5996.9678
PhosphoenolpyruvatePhosphoenolpyruvic acidME403149-C000740.56166.9757
PyruvatePyruvic acidME403150-C000220.6387.0071
SuccinateSuccinic acidME403151-C000420.56117.0176
TaurineTaurineME403152-C002450.64124.0059
ThymineThymineME403153-C001780.64125.0341
trans-4-Hydroxy-L-prolinetrans-4-HydroxyprolineME403154-C011570.65130.0495
UDPUDPME403155-C000150.94402.9998


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