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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
adenosine-5-monophosphateAMPME3877376083C000201038688169
raffinoseRaffinoseME387657439242C004921120886361
panosePanoseME38766794448-1187262204
pyruvic acidPyruvic acidME3876581060C00022211003174
lactic acidLactic acidME387690612C01432217657191
acetophenoneAcetophenoneME3877397410C07113238615105
alanineAlanineME3877365950C00041243971116
maleimideMaleimideME38768410935C07272245118154
2-hydroxybutanoic acid2-Hydroxybutyric acidME387745440864C05984258161131
3-hydroxybutyric acid3-Hydroxybutyric acidME38774192135C01089278829191
2-aminobutyric acid2-Aminobutyric acidME3877476657C02721286855130
methanolphosphateMethanolphosphateME38768013130-289520241
valineValineME3876336287C00183313502144
ethanol phosphateEthylphosphateME38771674190-317291211
pyrophosphatePyrophosphateME3876591023C00013327517110
ureaUreaME3876361176C00086328888189
glycerolGlycerolME387703753C00116344466205
ethanolamineEthanolamineME387715700C00189344719174
phosphatePhosphoric acidME3876631004C00009345365314
leucineLeucineME3876886106C00123345845158
epsilon-caprolactamEpsilon-caprolactamME3877197768C06593353069170
isoleucineIsoleucineME3876916306C00407359251158
prolineProlineME387661145742C00148364523142
glycineGlycineME387701750C00037368707248
succinic acidSuccinic acidME3876461110C00042370608247
glyceric acidGlyceric acidME387704439194C00258377495189
2,3-dihydroxybutanoic acid2,3-Dihydroxybutanoic acidME387743250402-384796292
uracilUracilME3876371174C00106385735241
fumaric acidFumaric acidME387711444972C00122390016245
2-deoxytetronic acid3,4-Dihydroxybutyric acidME387746192742-390517117
serineSerineME3876525951C00065395020218
2,5-dihydroxypyrazine2,5-DihydroxypyrazineME38774223368901-397526241
erythronic acid lactoneErythrono-1,4-lactoneME3877175325915C02341407495247
threonineThreonineME3876426288C00188409568218
thymineThymineME3876411135C00178420133255
beta-alaninebeta-AlanineME387730239C00099435564248
aminomalonateAminomalonic acidME387733100714C00872455754218
malic acidMalic acidME387683525C00711463180233
parabanic acidParabanic acidME38766667126C00802464991100
nicotinamideNiacinamideME387673936C00153469827179
erythritolErythritolME387718222285C00503471922217
aspartic acidAspartic acidME3877315960C00049480387232
methionineMethionineME3876796137C00073483560176
oxoprolineOxoprolineME3876707405C01879485935156
cytosinCytosineME387723597C00380486724254
threonic acidThreonic acidME3876435460407C01620497572292
creatineCreatineME387725586C00300502071115
dodecanolDodecanolME3877208193C02277507619243
creatinineCreatinineME387724588C00791507768115
glutamic acidGlutamic acidME38770633032C00025529100246
phenylalaninePhenylalanineME3876646140C00079537804218
xyloseXyloseME387629135191C00181546699307
riboseRiboseME3876545779C00121553135217
taurineTaurineME3876441123C00245556690326
xylitolXylitolME3876306912C00379567437217
alpha-aminoadipic acidalpha-Aminoadipic acidME38773492136C00956573295260
lyxitolL-ArabitolME387685439255C00532573587217
beta-glycerolphosphatesn-Glycero-2-phosphateME3877292526C02979574470243
ribitolRibitolME387656827C00474575497217
fucoseFucoseME387712439650C02095578299160
UDP-glucuronic acidUDP-glucuronic acidME38763917473C00167585473217
glycerol-alpha-phosphatesn-Glycero-3-phosphateME387702754C03189593299357
glucose-1-phosphateGlucose 1-phosphateME38770865533C00103594647217
ornithineOrnithineME3876716262C00077594878174
ribonic acidRibonic acidME3876555460677C01685597646292
glutamineGlutamineME3877055961C00064600315156
phosphoethanolaminePhosphoethanolamineME3876621015C00346604335299
4-methylbenzenesulfonamideToluene-4-sulfonamideME3877406269C14412609097228
shikimic acidShikimic acidME3876508742C00493611100204
citric acidCitric acidME387726311C00158617342273
hypoxanthineHypoxanthineME387696790C00262619128265
UDP-N-acetylglucosamineUDP-N-acetylglucosamineME387638445675C00043625003226
methyl O-D-galactopyranosideMethyl beta-D-galactosideME38767794214C03619630836204
dehydroascorbic acidL-Dehydroascorbic acidME387722440667C05422633423173
1,5-anhydroglucitol1,5-AnhydrosorbitolME38774864960C07326633603217
myristic acidMyristic acidME38767511005C06424634414285
hippuric acidHippuric acidME387697464C01586636836206
methionine sulfoxideMethionine sulfoxideME387678158980C02989637588128
fructoseFructoseME387714439709C02336639442307
mannoseMannoseME38768118950C00159645856205
glucoseGlucoseME38770964689C00221659798319
lysineLysineME3876865962C00047662197174
sorbitolSorbitolME3876485780C00794667922217
tyrosineTyrosineME3876406057C00082671252218
pentadecanoic acidPentadecylic acidME38766513849C16537674647117
1-hexadecanolCetyl alcoholME3877512682C00823679596299
gluconic acidGluconic acidME3877106857417C00800693148333
isohexonic acid-ME387692604-698302333
saccharic acidGlucaric acidME38765333037C00818699211333
xanthineXanthineME3876321188C00385701688353
palmitoleic acidPalmitoleic acidME387668445638C08362704511311
palmitic acidPalmitic acidME387669985C00249713809313
allantoic acidAllantoic acidME387735203C00499723539259
myo-inositolMyo-inositolME387676892C00137730022305
uric acidUric acidME3876351175C00366730691441
guanineGuanineME387700764C00242744307352
n-acetyl-d-hexosamineN-AcetylhexosamineME38767424139C03878746341319
heptadecanoic acidMargaric acidME38769810465-751309117
indole-3-lactateIndolelactic acidME38769592904C02043764586202
bisphosphoglycerol-ME387728102018-764660299
linoleic acidLinoleic acidME3876875280450C01595777414150
oleic acidOleic acidME387672445639C00712781527339
fructose-6-phosphateFructose 6-phosphateME387713440641C05345804279315
glucose-6-phosphateGlucose 6-phosphateME387707439427C01172810287387
pseudo uridinePseudouridineME38766015047C02067813899217
arachidonic acidArachidonic acidME387732444899C0021983711591
inositol-4-monophosphateInositol 4-phosphateME387693440043C03546845976315
cis-gondoic acidcis-Gondoic acidME3877275282768C16526847372367
uridineUridineME3876346029C00299861508217
serotoninSerotoninME3876515202C00780863824174
inosineInosineME3876946021C00294897434230
1-monopalmitinMG 16:0/0:0/0:0ME38775014900C01885901749129
docosahexaenoic acidDocosahexaenoic acidME387721445580C0642990281991
sucroseSucroseME3876455988C00089915139271
adenosineAdenosineME38773860961C00212918039236
xanthosineXanthosineME38763164959C01762926133325
lactuloseLactuloseME38768911333C07064929908204
2-monooleinMG 0:0/18:1(9Z)/0:0ME3877445319879-941794129
maltoseMaltoseME387682439186C00208946601204
guanosineGuanosineME3876996802C00387954962324
1-monostearinMG 18:0/0:0/0:0ME38774924699D01947959214203
sophoroseSophoroseME387649441432C08250962064307
squaleneSqualeneME387647638072C0075197623795


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