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Analysis: NMR data

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
2-Aminobutyrate2-Aminobutyric acidME448876-C02356--
2-Hydroxy-3-methylvalerate2-Hydroxy-3-methyl-pentanoic acidME448881----
2-Hydroxybutyrate2-Hydroxybutyric acidME448882-C05984--
2-Oxocaproate2-Ketocaproic acidME448888-C00902--
4-Hydroxyphenylacetate4-Hydroxyphenyl acetateME448878-C00642--
AcetateAcetic acidME448860-C00033--
O-AcetylcholineAcetylcholineME448907-C01996--
AdenineAdenineME448885-C00147--
AlanineAlanineME448867-C00041--
AlloisoleucineAlloisoleucineME448883----
ButyrateButyric acidME448861-C00246--
CadaverineCadaverineME448877-C01672--
CarnitineCarnitineME448891-C00318--
CarnosineCarnosineME448892-C00386--
CholateCholic acidME448893-C00695--
CholineCholineME448894-C00114--
2'-DeoxyadenosineDeoxyadenosineME448884-C00559--
EthanolEthanolME448862-C00469--
FormateFormic acidME448874-C00058--
4-Aminobutyrategamma-Aminobutyric acidME448889-C00334--
GlucoseGlucoseME448895-C00031--
GlutarateGlutaric acidME448890-C00489--
GlycerolGlycerolME448872-C00116--
GlycineGlycineME448873-C00037--
3-PhenylpropionateHydrocinnamic acidME448880-C05629--
HypoxanthineHypoxanthineME448897-C00262--
Indole-3-acetateIndoleacetic acidME448886-C00954--
IsobutyrateIsobutyric acidME448870-C02632--
IsoleucineIsoleucineME448868-C00407--
IsopropanolIsopropanolME448887-C01845--
IsovalerateIsovaleric acidME448864-C08262--
LactateLactic acidME448879-C00186--
LeucineLeucineME448869-C00123--
LevulinateLevulinic acidME448901----
LysineLysineME448902-C00047--
MethionineMethionineME448903-C00073--
MethylamineMethylamineME448904-C00218--
N6-AcetyllysineN6-AcetyllysineME448905-C02727--
NicotinateNicotinic acidME448906-C00253--
N,N-DimethylformamideN,N-DimethylformamideME448899-C03134--
p-CresolP-CresolME448896-C01468--
PhenylacetatePhenyl acetateME448871-C07086--
PhenylalaninePhenylalanineME448898-C00079--
PropionatePropionic acidME448863-C00163--
SarcosineSarcosineME448908-C00213--
SuccinateSuccinic acidME448900-C00042--
TyramineTyramineME448875-C00483--
ValerateValeric acidME448865-C00803--
ValineValineME448866-C00183--


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