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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-hydroxyglutaric acid2-Hydroxyglutaric acidME73386743C02630506306247
4-aminobutyric acid4-Aminopentanoic acidME733861119C00334488730304
4-hydroxyphenylacetic acid4-Hydroxyphenylacetic acidME733859127C00642542795179
adenineAdenineME733857190C00147646534264
adipic acidAdipic acidME733854196C06104474435111
beta-alaninebeta-AlanineME733842239C00099435564248
citric acidCitric acidME733834311C00158617342273
salicylic acidSalicylic acidME733736338C00805480699267
malic acidMalic acidME733774525C00711463180233
creatinineCreatinineME733831588C00791502599115
cystineCystineME733826595C01420804619218
lactic acidLactic acidME733780612C01432217657191
dihydroxyacetoneDihydroxyacetoneME733820670C0018433212089
ethanolamineEthanolamineME733816700C00189343800174
3-phosphoglycerate3-Phosphoglyceric acidME733862724C00597610734227
glutaric acidGlutaric acidME733802743C00489421596261
glycineGlycineME733797750C00037368707248
glycerolGlycerolME733800753C00116344466205
glycerol-alpha-phosphatesn-Glycero-3-phosphateME733798754C03189590747357
glycolic acidGlycolic acidME733796757C00160227636177
guanineGuanineME733792764C00242744307352
hypoxanthineHypoxanthineME733786790C00262619128265
ribitolRibitolME733739827C00474575497217
myo-inositolMyo-inositolME733767892C00137730022305
nicotinamideNiacinamideME733759936C00153469827179
nicotinic acid MassBank-ME733758938C00253353428180
palmitic acidPalmitic acidME733750985C00249713809313
phosphatePhosphoric acidME7337451004C00009345365314
phosphoethanolaminePhosphoethanolamineME7337441015C00346604335299
pyrophosphatePyrophosphateME7337401023C00013326948110
putrescinePutrescineME7337411045C00138588119174
spermidineSpermidineME7337301102C00315792924144
succinic acidSuccinic acidME7337271110C00042370608247
thymineThymineME7337211135C00178420133255
uracilUracilME7337141174C00106385816241
ureaUreaME7337131176C00086329351189
xanthineXanthineME7337101188C00385701688353
3-hydroxy-3-methylglutaric acid3-Hydroxymethylglutaric acidME7338641662C03761521554247
beta-glycerolphosphatesn-Glycero-2-phosphateME7338402526C02979574470243
octadecylglycerolMG O-18:0ME7337553681C13858928878205
serotoninSerotoninME7337335202C00780877364174
riboseRiboseME7337375779C00121553078217
sorbitolSorbitolME7337315780C00794667922217
trans-4-hydroxyprolinetrans-4-HydroxyprolineME7337195810C01157460662158
cysteineCysteineME7338295862C00097500158220
alanineAlanineME7338535950C00041244189116
serineSerineME7337345951C00065508295114
glucose-6-phosphateGlucose 6-phosphateME7338055958C00092818275387
aspartic acidAspartic acidME7338455960C00049480387232
glutamineGlutamineME7338035961C00064600000156
lysineLysineME7337755962C00047662197317
sucroseSucroseME7337265988C00089915139271
cholesterolCholesterolME7338375997C001871078536129
inosineInosineME7337846021C00294897184230
uridineUridineME7337126029C00299856709224
tyrosineTyrosineME7337176057C00082671252218
adenosine-5-monophosphateAMPME7338556083C000201038688315
leucineLeucineME7337786106C00123346101158
lactoseLactoseME7337796134C01970931361204
methionineMethionineME7337696137C00073483560176
phenylalaninePhenylalanineME7337466140C00079537804192
cytidineCytidineME7338256175-934269223
ornithineOrnithineME7337526262C00077594051174
asparagineAsparagineME7338466267C00152553078231
histidineHistidineME7337896274C00135663790154
valineValineME7337116287C00183313502144
threonineThreonineME7337226288C00188410833218
tryptophanTryptophanME7337186305C00078780482202
isoleucineIsoleucineME7337826306C0040729394286
pantothenic acidPantothenic acidME7337486613C12276690887201
2-aminobutyric acid2-Aminobutyric acidME7338716657C02721288133130
guanosineGuanosineME7337916802C00387954962324
xylitolXylitolME7337086912C00379567437217
gluconic acid lactoneGluconolactoneME7338087027C00198645815220
oxoprolineOxoprolineME7337517405C01879485935156
terephthalic acidTerephthalic acidME7337257489C06337612262295
diethanolamineDiethanolamineME7338228113C06772353911130
behenic acidBehenic acidME7338438215C08281919293117
octadecanolStearyl alcoholME7337568221-755409327
shikimic acidShikimic acidME7337328742C00493611100204
caproic acidCaproic acidME7338388892C01585227179173
citrullineCitrullineME7338339750C00327621404157
homocystineDL-HomocystineME73378810010C01817874865128
4-hydroxybutyric acid4-Hydroxybutyric acidME73386010413C00989325027233
heptadecanoic acidMargaric acidME73379010465-751309117
arachidic acidArachidic acidME73384910467C06425856421117
glycyl-glycineGly-GlyME73379411163C02037623532174
butyrolactam2-PyrrolidinoneME73383912025-277199142
methanolphosphateMethanolphosphateME73377013130-289520241
pentadecanoic acidPentadecylic acidME73374713849C16537674647117
1-monopalmitinMG 16:0/0:0/0:0ME73387414900-900644371
tocopherol alpha-alpha-TocopherolME73372014985C024771067809237
pseudo uridinePseudouridineME73374215047C02067813899217
UDP-glucuronic acidUDP-glucuronic acidME73371617473C00167585473217
mannoseMannoseME73377118950C00159643848205
1-monostearinMG 18:0/0:0/0:0ME73387324699D01947959214203
glutamic acidGlutamic acidME73380433032C00025529100246
adenosineAdenosineME73385660961C00212918039236
glucoseGlucoseME73380764689C00221659798319
xanthosineXanthosineME73370964959C01762926133325
1,5-anhydroglucitol1,5-AnhydrosorbitolME73387564960C07326632918217
N-acetylaspartateN-Acetylaspartic acidME73376665065C01042550762274
glucose-1-phosphateGlucose 1-phosphateME73380665533C00103594647217
dihydrocholesterolDihydrocholesterolME73382166066C129781082070215
N-acetylglutamateN-Acetylglutamic acidME73376470914C00624604748216
cholesterone mino-ME73383691477C005991095940456
3-hydroxybutyric acid3-Hydroxybutyric acidME73386392135C01089278829191
alpha-aminoadipic acidalpha-Aminoadipic acidME73385192136C00956573295260
glycyl tyrosineGly-TyrME73379592829-922071174
alloxanoic acidAlloxanoic acidME73385294146-785329331
arabitolArabitolME73385094154C01904572730103
2-hydroxyvaleric acid2-Hydroxyvaleric acidME73386698009-309587131
hypotaurineHypotaurineME733787107812C00519525092188
1,2-anhydro-myo-inositol1,2-Anhydro-myo-inositolME733876119054-651472318
N-carbamylglutamateCarglumic acidME733760121396C05829651275257
xyloseXyloseME733707135191C00181546308307
prolineProlineME733743145742C00148364523142
isothreonic acidD-Threonic acidME733781151152C00639489385292
methionine sulfoxideMethionine sulfoxideME733768158980C02989637588128
threitolThreitolME733724169019C16884467595217
2-deoxytetronic acid3,4-Dihydroxybutyric acidME733869192742-390517117
erythritolErythritolME733819222285C00503471922217
2-deoxypentitol2-Deoxy-D-ribitolME733870249377-521785231
5'-deoxy-5'-methylthioadenosine5'-MethylthioadenosineME733858439176C00170967036236
maltoseMaltoseME733773439186C00208946601361
glyceric acidGlyceric acidME733801439194C00258377495189
N-acetylneuraminate MassBank-ME733761439197C00270924909290
xyluloseXyluloseME733706439205C00312553450173
cystathionineCystathionineME733830439258C02291772979218
fructose-1-phosphateFructose 1-phosphateME733814439394C01094803180387
cysteine-glycineCys-GlyME733827439498C01419715335220
erythroseErythroseME733817439574C01796443306205
maltotrioseMaltotrioseME733772439586C018351176972361
fucoseFucoseME733812439650C02095578299160
fructoseFructoseME733815439709C02336639442307
inositol-4-monophosphateInositol 4-phosphateME733783440043C03546845976315
N-acetyl-D-galactosamineN-AcetylgalactosamineME733765440552C05021720730319
beta-alanyl lysine-ME733841440638C05341894559174
fructose-6-phosphateFructose 6-phosphateME733813440641C05345804750315
dehydroascorbic acidL-Dehydroascorbic acidME733824440667C05422633423173
2-hydroxybutanoic acid2-Hydroxybutyric acidME733868440864C05984258161131
arachidonic acidArachidonic acidME733848444899C0021983433991
fumaric acidFumaric acidME733811444972C00122392338245
palmitoleic acidPalmitoleic acidME733749445638C08362706508311
oleic acidOleic acidME733753445639C00712779120339
UDP-N-acetylglucosamineUDP-N-acetylglucosamineME733715445675C00043625003226
N-acetylmethionine MassBank-ME733762448580C0271256844599
levoglucosanGlucosanME7337772724705C22350569637204
glycyl-prolineGly-ProME7337933013625-691662174
D-erythro-sphingosineSphingosineME7338235280335C00319859500204
linoleic acidLinoleic acidME7337765280450C01595777285337
cis-gondoic acidcis-Gondoic acidME7338355282768C16526847372367
oleamideOleamideME7337545283387C19670849710144
2-monooleinMG 0:0/18:1(9Z)/0:0ME7338655319879-941794129
erythronic acid lactone isomerErythrono-1,4-lactoneME7338185325915C02341407495247
threonic acidThreonic acidME7337235460407C01620495994292
ribonic acidRibonic acidME7337385460677C01685599680292
gluconic acidGluconic acidME7338096857417C00800693148333
ile-ileIle-IleME7337857010568C12H24N2O3677904158
succinate semialdehydeSuccinic acid semialdehydeME7337289543238-294272113
conduritol-beta-epoxideConduritol epoxideME7338329989541-675635318
N-acetylmannosamineN-Acetyl-mannosamineME73376311096158-723255202
galactinolGalactinolME73381011727586-1022859204
glycerol-3-galactosideGalactosylglycerolME73379916048618C05401800205204
azelaic acidAzelaic acidME73384419347555C08261610551317
2,5-dihydroxypyrazine2,5-DihydroxypyrazineME73387223368901-397526241
N-methyl-UMP-ME73375744602426-974825169
ascorbic acidVitamin CME73384754670067C00072672898332
cysteine sulfonic acid MassBank-ME733828129636156-558826252
sedoheptulose 7-phosphateSedoheptulose 7-phosphateME733735--887974387
spiro(4,5)siladecane MassBank-ME733729--191736126


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