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


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