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Analysis: GC POSITIVE ION MODE

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
glutamateGlutamic acidME23009433032D00007489240174
glutamic acidGlutamic acidME23009333032D00007529100246
glycineGlycineME230089750D00011368707248
alanineAlanineME2301145950D00012243971116
aspartic acidAspartic acidME2301105960D00013480387232
serineSerineME2300335951D00016395020218
methionineMethionineME2300676137D00019483560176
tryptophanTryptophanME2300236305D00020780482202
phenylalaninePhenylalanineME2300456140D00021537804218
tyrosineTyrosineME2300226057D00022671252218
sucroseSucroseME2300295988D00025912704271
uracilUracilME2300201174D00027385816241
leucineLeucineME2300756106D00030346101158
adenineAdenineME230116190D00034646701264
nicotinamideNiacinamideME230061936D00036471602179
citric acidCitric acidME230105311D00037617342273
benzoic acidBenzoic acidME230109243D00038339067179
valineValineME2300186287D00039313502144
orotic acidOrotic acidME230053967D00055586317254
mannitolMannitolME2300706251D00062663215319
isoleucineIsoleucineME2300796306D00065359251158
lactic acidLactic acidME230077612D00111217657191
stearic acidStearic acidME2300315281D00119787622117
pantothenic acidPantothenic acidME2300476613D01082690887291
octadecanolStearyl alcoholME2300578221D01924755409327
lysineLysineME2300735962D02304663483156
fumaric acidFumaric acidME230099444972D02308390775245
oleic acidOleic acidME230055445639D02315779120339
adenosine-5-monophosphateAMPME2301156083D027691038688169
N-carbamoylaspartateN-Carbamoylaspartic acidME23006293072D02916666187160
galactoseGalactoseME230098439357D04291648756319
malic acidMalic acidME230072525D04843463180233
palmitic acidPalmitic acidME230049985D05341713809313
sulfuric acidTG 16:0_18:1_18:1ME2300281118D05963285430227
2,5-dihydroxypyrazine NIST2,5-DihydroxypyrazineME23012523368901-397526241
2,6-diaminopimelic acid2,6-Diaminopimelic acidME230124865-686035200
2-hydroxybutanoic acid2-Hydroxybutyric acidME230123440864-258161131
2-hydroxyglutaric acid2-Hydroxyglutaric acidME23012243-506306247
2-isopropylmalic acid2-Isopropylmalic acidME2301215280523-508690275
3-hydroxypalmitic acid3R-Hydroxypalmitic acidME23012015569776-774930233
3-phosphoglycerate3-Phosphoglyceric acidME230119724-610734227
4-hydroxybenzoate4-Hydroxybenzoic acidME230118135-537925223
5'-deoxy-5'-methylthioadenosine5'-MethylthioadenosineME230117439176-967036236
alpha-ketoglutarate2-Oxoglutaric acidME23011351-507392198
arachidic acidArachidic acidME23011210467-856421117
asparagineAsparagineME2301116267-553078188
beta-hydroxymyristic acid3-Hydroxytetradecanoic acidME230108--703225233
bisphosphoglycerol NIST-ME230107102018-764660299
capric acidCapric acidME2301062969-451790229
cysteine-glycineCys-GlyME230104439498-715335220
dodecanoic acid, isopropanol ester NIST-ME230103--536494200
fructoseFructoseME230102439709-641863307
fructose-1,6-bisphosphateFructose 1,6-bisphosphateME23010110267-936139315
fructose-6-phosphateFructose 6-phosphateME230100440641-804279315
glucoseGlucoseME23009764689-659798319
glucose-1-phosphateGlucose 1-phosphateME23009665533-594647217
glucose-6-phosphateGlucose 6-phosphateME2300955958-820524387
glutamineGlutamineME2300925961-600000156
glyceric acidGlyceric acidME230091439194-377495189
glycerol-alpha-phosphatesn-Glycero-3-phosphateME230090754-590747357
glycolic acidGlycolic acidME230088757-227215177
guanineGuanineME230087764-744307352
heptadecanoic acidMargaric acidME23008610465-751309117
hexadecaneHexadecaneME23008511006-52596485
hexose-6-phosphateHexose 6-phosphateME230084208-806282387
hydroxycarbamate NISTHydroxycarbamic acidME23008316639161-325318278
hydroxylamineHydroxylamineME230082787-255241146
hypoxanthineHypoxanthineME230081790-619128265
inosine-5'-monophosphateIMPME2300808582-1018687169
isomaltoseIsomaltoseME230078439193-983199160
lauric acidLauric acidME2300763893-547906117
levoglucosanGlucosanME2300742724705-569637204
maltoseMaltoseME230071439186-946601204
mannoseMannoseME23006918950-645856205
mannose-6-phosphate NISTMannose 6-phosphateME23006865127-822643387
methyltetrahydrophenanthrenone3 NIST-ME230066--594337197
myristic acidMyristic acidME23006511005-634414285
N-acetylaspartic acidN-Acetylaspartic acidME23006465065-548028158
N-acetylglutamateN-Acetylglutamic acidME23006370914-604748216
N-methylalanineN-MethylalanineME2300605288725-286855130
norleucineNorleucineME23005921236-374120158
norvalineNorvalineME23005865098-326715144
octanol NISTn-OctanolME230056957-247010187
O-phosphoserineDL-O-PhosphoserineME23005457689797-624355356
O-succinylhomoserineo-SuccinylhomoserineME230052--710923128
oxalic acidOxalic acidME230051971-260513190
oxoprolineOxoprolineME2300507405-485935156
palmitoleic acidPalmitoleic acidME230048445638-706508311
pelargonic acidPelargonic acidME2300468158-399229117
phosphatePhosphoric acidME2300441004-345365314
phosphoenolpyruvatePhosphoenolpyruvic acidME23004358114173-518184211
phosphoethanolaminePhosphoethanolamineME2300421015-603912299
prolineProlineME230041145742-364523142
propane-1,3-diol NISTPropane-1,3-diolME23004010442-214380177
putrescinePutrescineME2300391045-588119174
pyrophosphatePyrophosphateME2300381023-327517110
pyruvic acidPyruvic acidME2300371060-211668174
riboseRiboseME2300365779-553135217
ribose-5-phosphateRibose 5-phosphateME230035439167-731096315
sarcosineSarcosineME2300347311726-266344116
spermidineSpermidineME2300321102-792924144
succinic acidSuccinic acidME2300301110-370608247
threonineThreonineME2300276288-408777218
thymidine-5-phosphateTMPME2300269700-608111170
thymineThymineME2300251135-420133255
trehaloseTrehaloseME2300247427-948197191
UDP-N-acetylglucosamineUDP-N-acetylglucosamineME230021445675-625003226
uridine-5-monophosphateUMPME2300196030-977896169
xanthineXanthineME2300171188-701688353


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