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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
2-hydroxyglutaric acid2-Hydroxyglutaric acidME36836643C02630506306247
alpha-ketoglutarate2-Oxoglutaric acidME36833851C00026507392198
2-ketoisocaproic acidKetoleucineME36836470C0023331076189
3-(3-hydroxyphenyl)propionic acid3-(3-Hydroxyphenyl)propanoic acidME36836191C11457583925192
hydrocinnamic acidHydrocinnamic acidME368264107C05629434422104
4-aminobutyric acid4-Aminopentanoic acidME368354119C00334488730304
4-hydroxybenzoate4-Hydroxybenzoic acidME368353135C00156537925223
5-aminovaleric acid5-Aminopentanoic acidME368351138C00431536657174
adenineAdenineME368346190C00147646534264
adipic acidAdipic acidME368343196C06104474435111
allantoic acidAllantoic acidME368340203C00499726050259
hexose-6-phosphateHexose 6-phosphateME368268208C02965806282387
beta-alaninebeta-AlanineME368327239C00099435564248
benzoic acidBenzoic acidME368328243C00180338990179
citric acidCitric acidME368316311C00158615341273
salicylic acidSalicylic acidME368171338C00805480699267
hippuric acidHippuric acidME368266464C01586636836206
malic acidMalic acidME368231525C00711463180233
creatinineCreatinineME368313588C00791502599115
cystineCystineME368310595C01420804619218
cytosinCytosineME368307597C00380486724254
isohexonic acid-ME368251604-698302333
lactic acidLactic acidME368245612C01432217657191
ethanolamineEthanolamineME368298700C00189344675174
3-phosphoglycerate3-Phosphoglyceric acidME368355724C00597610734227
glutaric acidGlutaric acidME368281743C00489421596261
glycineGlycineME368275750C00037368707248
glycerolGlycerolME368278753C00116344428205
glycerol-alpha-phosphatesn-Glycero-3-phosphateME368276754C03189590747357
glycolic acidGlycolic acidME368273757C00160227215177
glycocyamineGuanidoacetic acidME368274763C00581511016171
hydroxylamineHydroxylamineME368262787C00192250536146
hypoxanthineHypoxanthineME368261790C00262619128265
indole-3-acetateIndoleacetic acidME368260802C00954684929202
pentitolArabitolME368196827D00061563801307
ribitolRibitolME368177827C00474575497217
myo-inositolMyo-inositolME368219892C00137730022305
nicotinamideNiacinamideME368212936C00153471602179
nicotinic acidNicotinic acidME368211938C00253366992180
orotic acidOrotic acidME368205967C00295586317254
oxalic acidOxalic acidME368204971C00209260513190
palmitic acidPalmitic acidME368202985C00249713809313
phenylethylaminePhenylethylamineME3681931001C05332510327174
phosphatePhosphoric acidME3681921004C00009348274314
phosphoethanolaminePhosphoethanolamineME3681901015C00346604335299
2-picolinic acidPicolinic acidME3683621018C10164383668180
pyrophosphatePyrophosphateME3681811023C00013327517110
putrescinePutrescineME3681821045C00138588119174
pyruvic acidPyruvic acidME3681801060C00022213805174
succinic acidSuccinic acidME3681621110C00042370737247
succinate semialdehydeSuccinic acid semialdehydeME3681631112C00232297024113
taurineTaurineME3681581123C00245556690326
thymineThymineME3681531135C00178420133255
uracilUracilME3681461174C00106385816241
uric acidUric acidME3681441175C00366730691441
ureaUreaME3681451176C00086326574189
xanthineXanthineME3681401188C00385701688353
5-methoxytryptamine5-MethoxytryptamineME3683491833C05659864466174
beta-glycerolphosphatesn-Glycero-2-phosphateME3683252526C02979574470243
capric acidCapric acidME3683212969C01571452386229
indole-3-propionic acid3-Indolepropionic acidME3682583744-732249202
lauric acidLauric acidME3682413893C02679547906117
pentobarbital NISTPentobarbitalME3681954737C07422605665141
serotoninSerotoninME3681695202C00780863824174
stearic acidStearic acidME3681645281C01530787622117
riboseRiboseME3681755779C00121553135217
sorbitolSorbitolME3681665780C00794667922217
thymidineThymidineME3681545789C00214349402170
cysteineCysteineME3683125862C00097500158220
alanineAlanineME3683425950C00041243971116
serineSerineME3681705951C00065395020218
glucose-6-phosphateGlucose 6-phosphateME3682845958C00092820524387
aspartic acidAspartic acidME3683305960C00049480387232
glutamineGlutamineME3682825961C00064600000156
lysineLysineME3682365962C00047663483156
sucroseSucroseME3681615988C00089912704271
cholesterolCholesterolME3683195997C001871078536129
inosineInosineME3682566021C00294897184230
uridineUridineME3681436029C00299861508217
uridine-5-monophosphateUMPME3681426030C00105977896169
tyrosineTyrosineME3681496057C00082671252218
adenosine-5-monophosphateAMPME3683446083C000201038688169
leucineLeucineME3682406106C00123346101158
cytidine-5-monophosphateCMPME3683086131C00055700635243
methionineMethionineME3682236137C00073483560176
phenylalaninePhenylalanineME3681946140C00079537804218
cellobioseCellobioseME3683206255C01971932179204
ornithineOrnithineME3682066262C00077527113142
asparagineAsparagineME3683316267C00152553078188
histidineHistidineME3682656274C00135663739154
valineValineME3681416287C00183309359144
threonineThreonineME3681556288C00188408777218
tryptophanTryptophanME3681506305C00078780482202
isoleucineIsoleucineME3682506306C00407359251158
quinic acidQuinic acidME3681796508C00296634900345
pantothenic acidPantothenic acidME3682006613C12276690887291
2-aminobutyric acid2-Aminobutyric acidME3683696657C02721286855130
guanosineGuanosineME3682716802C00387954962324
xylitolXylitolME3681386912C00379567437217
lactobionic acidLactobionic acidME3682437314C04247972139204
oxoprolineOxoprolineME3682037405C01879485935156
pelargonic acidPelargonic acidME3681988158C01601399229117
dodecanolDodecanolME3683028193C02277507619243
octadecanolStearyl alcoholME3682098221-755409327
inosine 5'-monophosphateIMPME3682558582C001301016811169
shikimic acidShikimic acidME3681688742C00493611100204
citrullineCitrullineME3683159750C00327621404157
indoxyl sulfateIndoxyl sulfateME36825710258-577333277
isoxylonic acid-ME36824710264C02341590775189
3-(4-hydroxyphenyl)propionic acidDesaminotyrosineME36836010394C01744598147179
4-hydroxybutyric acid4-Hydroxybutyric acidME36835210413C00989325027233
heptadecanoic acidMargaric acidME36827010465-751309117
arachidic acidArachidic acidME36833410467C06425856421117
1,2,4-benzenetriol1,2,4-TrihydroxybenzeneME36837710787C02814521803239
maleimideMaleimideME36823210935C07272245118154
myristic acidMyristic acidME36821811005C06424634414285
hexadecaneHexadecaneME36826911006-52596485
butyrolactam NIST2-PyrrolidinoneME36832212025-277199142
methanolphosphateMethanolphosphateME36822513130-289520241
pentadecanoic acidPentadecylic acidME36819713849C16537674647117
pseudo uridinePseudouridineME36818415047C02067813899217
UDP-glucuronic acidUDP-glucuronic acidME36814717473C00167587601217
mannoseMannoseME36822818950C00159645856205
n-acetyl-d-hexosamineN-AcetylhexosamineME36821624139C03878746341319
1-monostearinMG 18:0/0:0/0:0ME36837224699D01947959214203
glutamic acidGlutamic acidME36828333032C00025527086246
saccharic acidGlucaric acidME36817233037C00818699211333
adenosineAdenosineME36834560961C00212918039236
glucoseGlucoseME36828664689C00221659798319
3-aminoisobutyric acid3-Aminoisobutanoic acidME36835764956C05145455267248
xanthosineXanthosineME36813964959C01762926133325
1,5-anhydroglucitol1,5-AnhydrosorbitolME36837564960C07326633603217
N-acetylaspartic acidN-Acetylaspartic acidME36821765065C01042548028158
mannose-6-phosphateMannose 6-phosphateME36822765127C00275822643387
glucose-1-phosphateGlucose 1-phosphateME36828565533C00103594647217
dihydrocholesterolDihydrocholesterolME36830466066C129781082070215
parabanic acid NISTParabanic acidME36819967126C00802464991100
ethanol phosphate NISTEthylphosphateME36829974190-317291211
phosphogluconic acidPhosphogluconic acidME36818991493C00345847013299
3-hydroxybutyric acid3-Hydroxybutyric acidME36835692135C01089278632191
alpha-aminoadipic acidalpha-Aminoadipic acidME36833992136C00956573295260
melezitoseMelezitoseME36822692817C082431146704361
glycyl tyrosineGly-TyrME36827292829-922071174
indole-3-lactateIndolelactic acidME36825992904C02043764586202
arabitolArabitolME36833594154C01904570685217
methyl O-D-galactopyranosideMethyl beta-D-galactosideME36822194214C03619630836204
lactamideLactamideME36824694220-265698232
2-hydroxyvaleric acid2-Hydroxyvaleric acidME36836598009-309587131
aminomalonateAminomalonic acidME368336100714C00872455754218
bisphosphoglycerol-ME368323102018-764660299
N-acetylputrescineN-AcetylputrescineME368213122356C02714595523174
glutathioneGlutathioneME368280124886C00051761296213
galactonic acidGalactonic acidME368291128869C00880690882292
xyloseXyloseME368136135191C00181544100103
prolineProlineME368186145742C00148364716142
2-deoxytetronic acid3,4-Dihydroxybutyric acidME368368150929-433456189
isothreonic acidD-Threonic acidME368248151152C00639489385292
p-tolyl glucuronideP-Cresol glucuronideME368183154035-847531180
lactitolLactitolME368244157355C13542959541361
methionine sulfoxideMethionine sulfoxideME368222158980C02989637588128
pinitolPinitolME368188164619C03844622466260
threitolThreitolME368157169019C16884467595217
cholic acidCholic acidME368318221493C054631109517253
beta-sitosterolSitosterolME368324222284C017531128225129
erythritolErythritolME368301222285C00503471922217
2,3-dihydroxybutanoic acid NIST2,3-Dihydroxybutanoic acidME368371250402-384796292
6(5h)-benzo[c]phenanthridinone, 11,12-dihydro--ME368348362864-676571247
ribose-5-phosphateRibose 5-phosphateME368174439167C00117731837315
5'-deoxy-5'-methylthioadenosine5'-MethylthioadenosineME368350439176C00170967036236
ribulose-5-phosphateRibulose 5-phosphateME368173439184C00199735908357
maltoseMaltoseME368230439186C00208946601204
isomaltoseIsomaltoseME368249439193C00252983199160
glyceric acidGlyceric acidME368279439194C00258377495189
xylulose NISTXyluloseME368135439205C00312553450173
lyxoseLyxoseME368234439240C00476541086217
raffinoseRaffinoseME368178439242C004921120886361
lyxitolL-ArabitolME368235439255C00532573587217
noradrenalineXi-NorepinephrineME368210439260C00547754841174
N-acetylmannosamineN-Acetyl-mannosamineME368214439281C00645735323319
tagatoseD-TagatoseME368160439312C00795636627307
galactoseGalactoseME368290439357C00984648756319
fructose-1-phosphateFructose 1-phosphateME368296439394C01094803180387
galactose-6-phosphateGalactose 6-phosphateME368289439404C01113828102387
cysteine-glycineCys-GlyME368311439498C01419715335220
maltotrioseMaltotrioseME368229439586C018351176044361
fucoseFucoseME368294439650C02095578299160
xylonolactoneD-Xylono-1,5-lactoneME368137439692C02266535176217
fructoseFructoseME368297439709C02336639442307
inositol-4-monophosphateInositol 4-phosphateME368254440043C03546845976315
1-kestose1-KestoseME368374440080C036611123027361
N-acetylgalactosamineN-Acetyl-D-galactosamineME368215440552C05021725570202
fructose-6-phosphateFructose 6-phosphateME368295440641C05345804279315
dehydroascorbic acidL-Dehydroascorbic acidME368306440667C05422632888173
2-hydroxybutanoic acid2-Hydroxybutyric acidME368367440864C05984259536131
lactoseLactoseME368242440995C00243935640191
beta-gentiobiosebeta-GentiobioseME368326441422C08240974676204
sophoroseSophoroseME368167441432C08250965726307
galacturonic acidGalacturonic acidME368288441476C08348678231333
maleic acidMaleic acidME368233444266C01384363611245
tartaric acidTartaric acidME368159444305C00898534291292
arachidonic acidArachidonic acidME368333444899C0021983433991
fumaric acidFumaric acidME368293444972C00122390016245
docosahexaenoic acidDocosahexaenoic acidME368303445580C0642990281991
palmitoleic acidPalmitoleic acidME368201445638C08362704511311
oleic acidOleic acidME368207445639C00712781527339
UDP GlcNAcUDP-N-acetylglucosamineME368148445675C00043627437226
methylhexose-ME368220560150-616058204
tocopherol alpha-alpha-TocopherolME368152638015C003761067809237
squaleneSqualeneME368165638072C0075197623795
aconitic acidcis-Aconitic acidME368347643757C00417586815229
3,4-dihydroxycinnamic acidCaffeic acidME368359689043C01197748847219
levoglucosanGlucosanME3682392724705-569637204
D-erythro-sphingosineSphingosineME3683055280335C00319859500204
linoleic acidLinoleic acidME3682385280450C01595777414150
linolenic acidOctadecatrienoic acidME3682375280934C06427780376108
cis-gondoic acidcis-Gondoic acidME3683175282768C16526851223367
oleamide NISTOleamideME3682085283387C19670849710144
1-monooleinMG 18:1(9Z)/0:0/0:0ME3683735283468-952623129
isocitric acidIsocitric acidME3682525318532C00451617338245
2-monooleinMG 0:0/18:1(9Z)/0:0ME3683635319879-941794129
erythronic acid lactoneErythrono-1,4-lactoneME3683005325915C02341407495247
threonic acidThreonic acidME3681565460407C01620497572292
ribonic acidRibonic acidME3681765460677C01685597646292
alanine-alanineAla-AlaME3683415484352C00993522546116
gluconic acidGluconic acidME3682876857417C00800693148333
pipecolinic acidPipecolic acidME3681876931662-404121156
conduritol-beta-epoxideConduritol epoxideME3683149989541-675635318
galactinolGalactinolME36829211727586C012351002731204
glycerol-3-galactosideGalactosylglycerolME36827716048618C05401800205204
3,6-anhydro-D-galactose3,6-Anhydro-galactoseME36835816069996C06474588886231
hydroxycarbamate NISTHydroxycarbamic acidME36826316639161-325948278
azelaic acidAzelaic acidME36832919347555C08261610551317
inulotrioseLevanME36825322833608C013551131821361
2,5-dihydroxypyrazine NIST2,5-DihydroxypyrazineME36837023368901-397526241
ascorbic acidVitamin CME36833254670067C00072672898332
phosphoenolpyruvatePhosphoenolpyruvic acidME36819158114173C00074518184211
1,3,5-trimethylcyanuric acid-ME368376--416269171
altrose-ME368337--651039157
cytidineCytidineME368309--934269223
hexuronic acidHexuronic acidME368267--673957333
metharbitalMetharbitalME368224--574906155
propyleneglycolPropylene glycolME368185--177885117
trans-4-hydroxy-L-prolinetrans-4-HydroxyprolineME368151--459475158


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