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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
2,3-dihydroxybutanoic acid NIST2,3-Dihydroxybutanoic acidME13386013120900-384445292
2-hydroxybutanoic acid2-Hydroxybutyric acidME13386594318C05984257844131
2-hydroxyglutaric acid2-Hydroxyglutaric acidME13386443C02630507692129
2-hydroxyvaleric acid2-Hydroxyvaleric acidME13386398009-310750131
alpha ketoglutaric acid2-Oxoglutaric acidME13385251C00026507734198
3,6-anhydrogalactose3,6-Anhydro-galactoseME133857441040C06474587014231
3-aminoisobutyric acid3-Aminoisobutanoic acidME13385964956C01205309799102
3-hydroxybutanoic acid3-Hydroxybutyric acidME13385892135C01089278651191
5-methoxytryptamine5-MethoxytryptamineME1338551833C05659863982174
alanineAlanineME1338535950C00041236539116
tocopherol alphaalpha-TocopherolME13375214985C024771067178237
aminomalonic acidAminomalonic acidME133850100714C00872455266218
arabinoseArabinoseME133849229C00259546892217
arabitolArabitolME13384894154C01904572427307
arachidic acidArachidic acidME13384710467C06425856203117
arachidonic acid isomerArachidonic acidME1338465312542-83575191
asparagineAsparagineME133845236C00152553169116
aspartic acidAspartic acidME1338445960C00049478092232
benzoic acidBenzoic acidME133843243C00180338714179
302365 similar to beta-alanine minorbeta-AlanineME133868--308309102
beta-alaninebeta-AlanineME133842239C00099431950248
capric acidCapric acidME1338402969C01571451122117
caprylic acidCaprylic acidME133839379C06423343899201
cholesterolCholesterolME1338385997C001871080995129
4-hydroxyprolinecis-4-HydroxyprolineME133856--487405230
citric acidCitric acidME133837311C00158617723273
citrullineCitrullineME1338369750C00327620728157
conduritol-beta-epoxide minorConduritol epoxideME133834--672349217
creatinineCreatinineME133833--504442115
cysteine-glycineCys-GlyME133831439498C01419715639220
cysteineCysteineME133832--497030220
cystineCystineME13383067678C00491804143218
dihydroabietic acidDihydroabietic acidME133829227277-849610239
tagatoseD-TagatoseME13375692092D09007630162307
isothreonic acidD-Threonic acidME133800--490829292
erythritolErythritolME133828--473277205
ethanolamineEthanolamineME133827700C00189342787174
fructoseFructoseME1338265984C00095638202307
fumaric acidFumaric acidME133824444972C00122390708245
galactonic acidGalactonic acidME133823128869C00880692399292
glycerol-3-galactosideGalactosylglycerolME133814656504C05401805516204
gamma-tocopherolgamma-TocopherolME13382292729C024831026222223
gluconic acidGluconic acidME13382110690C00257693140333
levoglucosanGlucosanME1337932724705-569799204
glucoseGlucoseME133820107526C00031650726160
glucuronic acidGlucuronic acidME13381994715C00191666401333
glutamic acidGlutamic acidME13381733032C00025529370246
glutamineGlutamineME1338185961C00064598894156
glyceric acidGlyceric acidME133816--379389189
glycerolGlycerolME133815753C00116343749205
glycineGlycineME133812750C00037364262174
glycolic acidGlycolic acidME133811757C00160227487177
histidineHistidineME1338096274C00135663773154
hydroxylamineHydroxylamineME133808787C00192255313146
indole-3-acetateIndoleacetic acidME133807802C00954685195202
indole-3-lactateIndolelactic acidME13380692904C02043764543202
inosineInosineME1338056021C00294896340230
inulobioseInulobioseME133803439552C01711930708204
isocitric acidIsocitric acidME133802--617706245
isoleucineIsoleucineME1338016306C00407355832158
2-ketoisocaproic acidKetoleucineME133862--311320200
kynurenineKynurenineME133799161166C00328769271218
lactamideLactamideME133798--265523232
lactic acidLactic acidME133797612C00186215720191
lactobionic acidLactobionic acidME133796517381-952195204
lauric acidLauric acidME1337953893C02679547440117
leucineLeucineME133794--345709158
linoleic acidLinoleic acidME1337925280450C01595777102337
lysineLysineME1337915962C00047663088156
maleimideMaleimideME13379010935C07272244928154
malic acidMalic acidME133789222656C00149461034233
maltoseMaltoseME1337886255C00208946798361
mannoseMannoseME133787--644818319
heptadecanoic acid NISTMargaric acidME13381010465-737676117
methanolphosphateMethanolphosphateME13378613130-290163241
methionineMethionineME1337856137C00073482984176
methylhexadecanoic acidMethylhexadecanoic acidME13378410465-750645117
1-monopalmitinMG 16:0/0:0/0:0ME13386714900-900928371
1-monostearinMG 18:0/0:0/0:0ME13386624699D01947956148399
monooleinMG 18:1ME133783--950757129
myristic acidMyristic acidME133782--634167285
N-acetylglycine NISTN-AcetylglycineME13378110972-356109174
N-acetylmannosamine minor2N-Acetyl-mannosamineME133780--735289205
N-methylalanineN-MethylalanineME133779--288435130
oleic acidOleic acidME133777445639C00712778858339
ornithineOrnithineME1337766262C00077594392174
oxalic acidOxalic acidME133775971C00209259625147
oxoprolineOxoprolineME1337747405C01879489576156
palmitic acidPalmitic acidME133773985C00249711066313
palmitoleic acidPalmitoleic acidME133772445638C08362704757129
pelargonic acidPelargonic acidME1337718158C01601399114117
phenylalaninePhenylalanineME1337706140C00079538016218
phenylethylaminePhenylethylamineME133769--510041174
pipecolic acidPipecolic acidME133768439227C00408403598156
prolineProlineME133767--366261142
pseudo uridinePseudouridineME13376615047C02067813744217
quinic acidQuinic acidME1337656508C00296634266255
ribitolRibitolME133764827C00474575571217
riboseRiboseME1337635779C00121553058307
salicylic acidSalicylic acidME133762338C00805480445267
alpha-terpineol(S)-alpha-TerpineolME133851--260892267
serineSerineME1337615951C00065394656204
shikimic acidShikimic acidME133760--609587204
glycerol-alpha-phosphatesn-Glycero-3-phosphateME133813754C00093588999299
stearic acidStearic acidME1337595281C01530787358117
octadecanolStearyl alcoholME1337788221D01924755073327
succinic acidSuccinic acidME133758--370724247
sucroseSucroseME1337575988C00089913309271
taurineTaurineME1337551123C00245557250326
threonic acidThreonic acidME133754--500046292
threonineThreonineME133753--409445117
trans-4-hydroxyprolinetrans-4-HydroxyprolineME1337515810C01157460567158
tryptophanTryptophanME1337506305C00078782085202
tyrosineTyrosineME133749--653134179
ureaUreaME133748--337230171
uric acidUric acidME1337471175C00366730534441
uridineUridineME1337466029C00299856953258
valineValineME1337456287C00183309905144
xanthineXanthineME1337441188C00385702391353
xylitolXylitolME1337436912C00379566749217
xyloseXyloseME1337426027C00181542808103
233005 carbohydrate-ME133869--817340204
2-phenylpropanol NIST-ME133861447661-319992193
aconitic acid delta-ME133854--589666229
beta-mannosylglycerate-ME1338415460194-633028259
conduritol beta expoxide minor-ME133835--704785318
fucose + rhamnose-ME13382594270C01018577861117
inositol myo- delta-ME133804--733355305


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