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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
1,2,4-benzenetriol1,2,4-TrihydroxybenzeneME13453710787C02814521560239
1,5-anhydroglucitol1,5-AnhydrosorbitolME13453664960C07326634023217
2,3-dihydroxybutanoic acid NIST2,3-Dihydroxybutanoic acidME13453513120900-384445292
2-deoxyerythritol2-DeoxyerythritolME13453418302-354236117
2-deoxytetronic acid3,4-Dihydroxybutyric acidME134533150929-432896189
2-hydroxybutanoic acid2-Hydroxybutyric acidME13453294318C05984258175131
2-hydroxyhippuric acidSalicyluric acidME13453110263C07588725431324
2-hydroxyvaleric acid2-Hydroxyvaleric acidME13453098009-310750131
2-ketoisocaproic acidKetoleucineME13452970C00233310629200
3-aminoisobutyric acid3-Aminoisobutanoic acidME13452864956C05145452732248
3-hydroxybutanoic acid3-Hydroxybutyric acidME13452711266C05984278929191
3-hydroxypropionic acidHydroxypropionic acidME13452668152C01013269975177
4-hydroxyprolinecis-4-HydroxyprolineME134525825C01015484516140
5-hydroxymethyl-2-furoic acid NISTSumiki's acidME13452480642-497599123
5-methoxytryptamine5-MethoxytryptamineME1345231833C05659863982174
acetophenone NISTAcetophenoneME1345227410C07113238719105
adipic acidAdipic acidME134521196C06104473092111
alanineAlanineME1345205950C00041236539116
aminomalonic acidAminomalonic acidME134519100714C00872455266218
arachidonic acid isomerArachidonic acidME1345185312542-83575191
asparagineAsparagineME1345176267C00152554276116
aspartic acidAspartic acidME1345165960C00049478092232
benzoic acidBenzoic acidME134515243C00180338714179
benzylalcoholBenzyl alcoholME134514244C00556281338165
beta-alaninebeta-AlanineME134513239C00099435375248
beta-mannosylglycerate-ME1345125460194C11544633028259
butane-2,3-diol (NIST)2,3-ButanediolME134511262C03044204284117
capric acidCapric acidME1345102969C01571451122117
cholesterolCholesterolME1345095997C001871079924129
citramalic acidCitramalic acidME1345081081C00815456337247
citric acidCitric acidME134507311C00158617288273
citrullineCitrullineME1345069750C00327621606157
conduritol-beta-epoxideConduritol epoxideME134505119054-704220318
creatinineCreatinineME134504588C00791502434115
cysteineCysteineME134503594C00097499495220
cysteine-glycineCys-GlyME134502439498C01419715639220
cystineCystineME13450167678C00491804143218
dihydro-3-coumaric acid3-(3-Hydroxyphenyl)propanoic acidME13450091C11457583527205
elaidic acidElaidic acidME1344995282749C01712780799339
erythritolErythritolME134498222285C00503471274205
ethanolamineEthanolamineME134497700C00189340837174
fructoseFructoseME134496107428-638202307
fumaric acidFumaric acidME134495444972C00122390988245
galactonic acidGalactonic acidME134494128869C00880692399292
gamma-tocopherolgamma-TocopherolME13449392729C024831026222223
gluconic acidGluconic acidME13449210690C00257693140333
glucoseGlucoseME1344915793C00031657634160
glucuronic acidGlucuronic acidME13449065041C16245666401333
glutamineGlutamineME1344895961C00064600452156
glyceric acidGlyceric acidME134488439194C00258373972189
glycerolGlycerolME134487753C00116344223205
glycerol-3-galactosideGalactosylglycerolME134486656504C05401803554204
glycerol-alpha-phosphatesn-Glycero-3-phosphateME134485754C00093591357299
glycineGlycineME134484750C00037364262174
glycocyamineGuanidoacetic acidME134483763C00581508662171
glycolic acidGlycolic acidME134482757C00160229810177
hippuric acidHippuric acidME134481464C01586616499105
hydrocinnamic acidHydrocinnamic acidME134480107C05629435417104
hydroquinoneHydroquinoneME134479785C00530422662239
hydroxylamineHydroxylamineME134478787C00192255769146
indole-3-acetateIndoleacetic acidME134477802C00954685195202
indole-3-lactateIndolelactic acidME13447692904C02043764543202
inosineInosineME1344756021C00294897806217
inositol allo--ME134474892-675911318
inositol myo-Myo-inositolME134473892C00137729867305
isobutene glycol NISTIsobutene glycolME13447268410-229031144
isocitric acidIsocitric acidME1344715318532C00311616685245
isodeoxytetronic acid-ME134470150929-390395117
isoleucineIsoleucineME1344696306C00407359190158
isothreitolThreitolME134468169019-464512217
kynurenineKynurenineME134467161166C00328769271218
lactic acidLactic acidME13446661503C00256215380191
lactobionic acidLactobionic acidME134465517381-952195204
lauric acidLauric acidME1344643893C02679548310117
leucineLeucineME1344636106C00123345953158
levoglucosanGlucosanME1344622724705-569799204
linoleic acidLinoleic acidME1344615280450C01595777102337
linolenic acidOctadecatrienoic acidME1344605280934C06427779785108
lysineLysineME1344595962C00047662525156
lyxoseLyxoseME13445865550-540208217
malic acidMalic acidME134457222656C00149461034233
methanolphosphateMethanolphosphateME13445613130-293419241
methionineMethionineME1344556137C00073482984176
methionine sulfoxideMethionine sulfoxideME134454158980C02989604971128
methylhexadecanoic acidMethylhexadecanoic acidME13445310465-750645117
myristic acidMyristic acidME13445211005C06424634543285
nicotinic acidNicotinic acidME134451938C00253354525180
N-methylalanineN-MethylalanineME1344505288725C02721286258130
oleic acidOleic acidME134449445639C00712779154339
ornithineOrnithineME1344486262C00077619715142
oxalic acidOxalic acidME134447971C00209259625147
oxoprolineOxoprolineME1344467405C01879489576156
palmitic acidPalmitic acidME134445985C00249713542313
palmitoleic acidPalmitoleic acidME134444445638C08362706298129
parabanic acid NISTParabanic acidME13444367126-464937100
paracetamolAcetaminophenME1344421983C06804538566206
pelargonic acidPelargonic acidME1344418158C01601399163117
phenylalaninePhenylalanineME1344406140C00079537760218
phosphoric acidPhosphoric acidME1344391004C00009342472314
p-hydroquinoneHydroquinoneME134438785C00530422925239
pipecolic acidPipecolic acidME134437439227C00408401074156
prolineProlineME134436145742C00148364232142
pseudo uridinePseudouridineME134435553482-813744217
pyrrole-2-carboxylic acidPyrrole-2-carboxylic acidME13443412473C05942394389240
pyruvic acidPyruvic acidME1344331060C00022208709174
quinic acidQuinic acidME1344326508C00296630216255
rhamnoseRhamnoseME13443125310C00507575559117
ribonic acidRibonic acidME1344305460677C01685598019292
salicylic acidSalicylic acidME134429338C00805480445267
serineSerineME1344285951C00065391397204
stearic acidStearic acidME1344275281C01530787358117
succinic acidSuccinic acidME1344261110C00042370518247
sucroseSucroseME1344255988C00089913309271
sulfuric acidTG 16:0_18:1_18:1ME1344241118C00059283162227
tagatoseD-TagatoseME13442392092D09007630162307
taurineTaurineME1344221123C00245557250326
threitolThreitolME134421169019-467314217
threonic acidThreonic acidME134420439535C01620494205292
threonineThreonineME1344196288C00188409488117
tocopherol alphaalpha-TocopherolME13441814985C024771067178237
tryptophanTryptophanME1344176305C00078781209202
tyrosineTyrosineME1344166057C00082670802218
ureaUreaME1344151176C00086325479171
uric acidUric acidME1344141175C00366730534441
uridineUridineME1344136029C00299856953258
valineValineME1344126287C00183313224144
xanthineXanthineME1344111188C00385702391353
xylitolXylitolME1344106912C00379566893217
xyloseXyloseME1344096027C00181540197103


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