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Analysis: GC UNSPECIFIED ION MODE

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
"1,2,4-benzenetriol"1,2,4-TrihydroxybenzeneME61627410787C02814521803239
"1,3,5-trimethylcyanuric acid"-ME616273--416269171
1-monoheptadecanoyl glyceride NIST-ME616272107036-930489385
2-hydroxyglutaric acid2-Hydroxyglutaric acidME61627143C02630506306247
2-ketoisocaproic acidKetoleucineME61627070C0023331076189
3-aminoisobutyric acid3-Aminoisobutanoic acidME61626964956C05145452655248
3-phosphoglycerate3-Phosphoglyceric acidME616268724C00597610734227
4-hydroxybutyric acid4-Hydroxybutyric acidME61626710413C00989325027233
5-aminovaleric acid5-Aminopentanoic acidME616266138C00431540425174
adenineAdenineME616265190C00147646534264
adenosine-5-monophosphateAMPME6162646083C000201041375315
alanineAlanineME6162635950C00041243971116
alpha-ketoglutarate2-Oxoglutaric acidME61626251C00026507392198
arachidic acidArachidic acidME61626110467C06425856421117
asparagineAsparagineME6162606267C00152553078188
aspartic acidAspartic acidME6162595960C00049480387232
benzoic acidBenzoic acidME616258243C00180339067179
beta-alaninebeta-AlanineME616257239C00099435564248
capric acidCapric acidME6162562969C01571452386229
cholesterolCholesterolME6162555997C001871078536129
citric acidCitric acidME616254311C00158617342273
cysteineCysteineME6162535862C00097500158220
fructoseFructoseME616252439709C02336639442307
fumaric acidFumaric acidME616251444972C00122390016245
glucoseGlucoseME61625064689C00221659798319
glucose-1-phosphateGlucose 1-phosphateME61624965533C00103594647217
glucose-6-phosphateGlucose 6-phosphateME616248439427C01172810287387
glutamic acidGlutamic acidME61624733032C00025529100246
glutamineGlutamineME6162465961C00064600000156
glyceric acidGlyceric acidME616245439194C00258377495189
glycerol-alpha-phosphatesn-Glycero-3-phosphateME616244754C03189590747357
glycineGlycineME616243750C00037368707248
glycolic acidGlycolic acidME616242757C00160227636177
heptadecanoic acidMargaric acidME61624110465-751309117
hexadecaneHexadecaneME61624011006-52596485
hydroxycarbamate NISTHydroxycarbamic acidME61623916639161-325948278
hydroxylamineHydroxylamineME616238787C00192253158146
hypoxanthineHypoxanthineME616237790C00262619128265
inosineInosineME6162366021C00294897434230
isoleucineIsoleucineME6162356306C00407359251158
isoriboseD-RibopyranoseME61623410975657-558730217
lactamideLactamideME61623394220-265698232
lactic acidLactic acidME616232612C01432217657191
lauric acidLauric acidME6162313893C02679547906117
leucineLeucineME6162306106C00123345168158
levoglucosanGlucosanME6162292724705-569637204
lysineLysineME6162285962C00047663483156
malic acidMalic acidME616227525C00711463180233
mannoseMannoseME61622618950C00159645856205
methanolphosphateMethanolphosphateME61622513130-289520241
methionineMethionineME6162246137C00073483560176
myo-inositolMyo-inositolME616223892C00137730022305
myristic acidMyristic acidME61622211005C06424634414285
N-acetylaspartic acidN-Acetylaspartic acidME61622165065C01042548028158
N-acetylglutamateN-Acetylglutamic acidME61622070914C00624604748216
nicotinamideNiacinamideME616219936C00153471602179
ornithineOrnithineME6162186262C00077594051174
oxalic acidOxalic acidME616217971C00209260513190
oxoprolineOxoprolineME6162167405C01879485935156
palmitic acidPalmitic acidME616215985C00249713809313
pantothenic acidPantothenic acidME6162146613C12276690887291
pelargonic acidPelargonic acidME6162138158C01601399229117
pentadecanoic acidPentadecylic acidME61621213849C16537674647117
phenylalaninePhenylalanineME6162116140C00079537804218
phosphatePhosphoric acidME6162101004C00009345365314
putrescinePutrescineME6162091045C00138588119174
pyrophosphatePyrophosphateME6162081023C00013327517110
pyruvic acidPyruvic acidME6162071060C00022211668174
ribitolRibitolME616206827C00474575497217
ribonic acidRibonic acidME6162055460677C01685597646292
serineSerineME6162045951C00065395020218
sorbitolSorbitolME6162035780C00794667922217
stearic acidStearic acidME6162025281C01530787622117
succinic acidSuccinic acidME6162011110C00042370608247
sucroseSucroseME6162005988C00089912704271
threonic acidThreonic acidME6161995460407C01620497572292
threonineThreonineME6161986288C00188408777218
tyrosineTyrosineME6161976057C00082671252218
UDP-glucuronic acidUDP-glucuronic acidME61619617473C00167587601217
UDP-N-acetylglucosamineUDP-N-acetylglucosamineME616195445675C00043623789226
ureaUreaME6161941176C00086332913189
valineValineME6161936287C00183313502144


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