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Analysis: MS positive ion mode

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
inosine 5'-monophosphateIMPME6522208582C001301017326315
adenosine-5-phosphateAMPME6521586083C000201039143169
galactinol isomerGalactinolME65219411727586C012351048423204
7-alpha-hydroxycholesterol7alpha-Hydroxy-cholesterolME652154107722C035941062766456
cholesterolCholesterolME6521745997C001871077630129
5b-cholestanolCoprostanolME6521526665-1082218215
stigmasterolStigmasterolME652266222284C054421110434159
maltotriose minorMaltotrioseME65223592146C018351177212204
butane-2,3-diol2,3-ButanediolME652171262C03044204284117
pyruvic acidPyruvic acidME6522581060C00022211947174
lactic acidLactic acidME652227107689C00186215600191
glycolic acidGlycolic acidME652209757C00160227487177
enolpyruvate NISTPhosphoenolpyruvic acidME6521851005C00074234457217
alanineAlanineME6521605950C00041241959116
maleimideMaleimideME65223310935C07272244928154
hydroxylamineHydroxylamineME652216787C00192254242146
oxalic acidOxalic acidME652245971C00209260613147
lactamideLactamideME65222694220-265523232
methanolphosphateMethanolphosphateME65223613130-289507241
2-ketoisocaproic acidKetoleucineME65214770C00233310629200
valineValineME6522816287C00183313224144
hydroxycarbamate NISTHydroxycarbamic acidME65221516639161-325357278
ureaUreaME6522781176C00086337230171
benzoic acidBenzoic acidME652169243C00180339299179
ethanolamineEthanolamineME652187700C00189344330174
leucineLeucineME6522296106C00123345709158
2-deoxyerythritol2-DeoxyerythritolME65214518302-354236117
isoleucineIsoleucineME6522246306C00407358756158
prolineProlineME652254145742C00148364232142
glycineGlycineME652208750C00037368041174
succinic acidSuccinic acidME6522671110C00042370518247
glyceric acidGlyceric acidME652204439194C00258373972189
uracilUracilME6522771174C0010638590399
fumarateFumaric acidME652192444972C00122390988245
serineSerineME6522625951C00065394650204
pyrazine 2,5-dihydroxy NIST-ME65225615532987-396061241
pelargonic acidPelargonic acidME6522508158C01601399163117
threonineThreonineME6522706288C00188408911117
thymineThymineME6522721135C00178420134255
aspartateAspartic acidME6521665960C00049432951160
beta alaninebeta-AlanineME652170239C00099435138248
homoserineHomoserineME65221412647C00263444244218
capric acidCapric acidME6521722969C01571451122117
aminomalonic acidAminomalonic acidME652162100714C00872455266218
malateMalic acidME652232222656C00149462908233
erythritolErythritolME652186222285C00503471274205
nicotinamideNiacinamideME652243936C00153472223179
adipic acidAdipic acidME652159196C06104475399111
asparagine dehydratedAsparagineME6521656267C00152476542100
aspartic acidAspartic acidME6521675960C00049478092232
salicylic acidSalicylic acidME652261338C00805480445267
methionineMethionineME6522376137C00073482984176
oxoprolineOxoprolineME6522467405C01879486399156
cytosinCytosineME652183597C00380488774254
GABAgamma-Aminobutyric acidME652193119C00334488961174
isothreonic acidD-Threonic acidME652225151152C01620489846292
cysteineCysteineME652179594C00097499495220
creatinineCreatinineME652178588C00791502434115
2-hydroxyglutaric acid2-Hydroxyglutaric acidME65214643C02630506359129
alpha ketoglutaric acid2-Oxoglutaric acidME65216151C00026507734198
phenylethylaminePhenylethylamineME6522531001C05332512521174
glutamic acidGlutamic acidME65220233032C00025529370246
5-aminovaleric acid5-Aminopentanoic acidME652151138C00431536304174
phenylalaninePhenylalanineME6522526140C00079538016218
pyrophosphatePyrophosphateME652257644102C00013546635451
N-acetylaspartic acidN-Acetylaspartic acidME65224065065C01042548166158
lauric acidLauric acidME6522283893C02679548310117
xylulose NISTXyluloseME6522825289590C00310553050173
asparagineAsparagineME6521646267C00152554276116
taurineTaurineME6522691123C00245556913326
levoglucosanGlucosanME6522302724705-569799204
2-aminoadipic acidalpha-Aminoadipic acidME652144469C00956572700260
glycerol-beta-phosphatesn-Glycero-2-phosphateME6522072526C02979574994243
ribitolRibitolME6522596912C00474575953319
UDP-glucuronic acidUDP-glucuronic acidME65227617473C00167586393217
aconitic acidcis-Aconitic acidME652155643757C00417586608229
putrescinePutrescineME6522551045C00134587728174
glycerol-alpha-phosphatesn-Glycero-3-phosphateME652206754C03189591357299
glucose-1-phosphateGlucose 1-phosphateME65220065533C11450594823217
glutamineGlutamineME6522035961C00064600452156
thymidine-5-monophosphateTMPME65227112803287-608036170
3-phosphoglycerate3-Phosphoglyceric acidME652150724C00597611619299
isocitric acidIsocitric acidME6522231198C00451616685245
citric acidCitric acidME652175311C00158617288273
hypoxanthineHypoxanthineME652217790C00262619020265
UDP GlcNAcUDP-N-acetylglucosamineME652275445675C00043623732226
myristic acidMyristic acidME65223911005C06424634167285
fructoseFructoseME6521885984C00095638202307
adenineAdenineME652156190C00147646737264
glucoseGlucoseME6521995793C00031649920160
lysineLysineME6522315962C00047662525156
histidineHistidineME6522136274C00135663638154
sorbitolSorbitolME652263453C00794667287319
tyrosineTyrosineME6522746057C00082670802218
pentadecanoic acidPentadecylic acidME65225113849C16537674704117
galacturonic acidGalacturonic acidME65219684740C00333678170333
1-hexadecanolCetyl alcoholME6521422682C00823679338299
ononitolPinitolME652244230881-679899217
pantothenic acidPantothenic acidME652249988C00864691214103
idonic acid NIST-ME652218193325-698217333
CMPCMPME6521766131C00055700264243
conduritol beta epoxideConduritol epoxideME652177119054-704220318
palmitoleic acidPalmitoleic acidME652248445638C08362706786129
palmitic acidPalmitic acidME652247985C00249713542313
cysteine-glycineCys-GlyME652180439498C01419715639220
gamma glutamyl-valinegamma-GlutamylvalineME6521977015683-719509417
N-acetylgalactosamineN-Acetyl-D-galactosamineME65224235717C01132721483205
N-acetyl-D-mannosamineN-Acetyl-mannosamineME65224165150C00645723859205
inositol myo-Myo-inositolME652221892C00137729867305
ribulose-5-phosphateRibulose 5-phosphateME652260439184C00199735613357
guanineGuanineME652210764C00242744497352
heptadecanoic acidMargaric acidME65221210465-750645117
tryptophanTryptophanME6522736305C00078779834202
elaidic acidElaidic acidME652184965C01712780799339
stearic acidStearic acidME6522655281C01530787358117
spermidineSpermidineME6522641102C00315792258144
fructose 1 phosphateFructose 1-phosphateME65218965246C01094800708387
fructose-6-phosphateFructose 6-phosphateME65219169507C00085805246315
glycerol-3-galactosideGalactosylglycerolME652205656504C05401805516204
glucose-6-phosphateGlucose 6-phosphateME6522015958C00092809066387
galactose-6-phosphate_200536Galactose 6-phosphateME65219599058C01113828457387
glucoheptuloseGlucoheptuloseME652198102926-828610331
inositol-4-monophosphateInositol 4-phosphateME6522226349C03546845491318
arachidic acidArachidic acidME65216310467C06425856486117
uridineUridineME6522796029C00299856953258
cytidine-5'-diphosphateCDPME6521816132C00112861380217
2-monopalmitinMG 0:0/16:0/0:0ME6521493084463-889671218
inosineInosineME6522196021C00294897806230
monopalmitin-1-glycerideMG 16:0/0:0/0:0ME65223814900-901207371
sucroseSucroseME6522685988C00089915457271
adenosineAdenosineME65215760961C00212917818236
behenic acidBehenic acidME6521688215C08281919542132
fructose-1,6-bisphosphateFructose 1,6-bisphosphateME652190172313C05378937707315
2-monooleinMG 0:0/18:1(9Z)/0:0ME6521485319879C02112942197129
maltoseMaltoseME652234439186C00208946798361
1-monooleinMG 18:1(9Z)/0:0/0:0ME6521435319879C01885951858129
guanosineGuanosineME6522116802C00387955831324
cellobiotolCellobiotolME652173160514-956355204
5'-deoxy-5'-methylthioadenosine5'-MethylthioadenosineME652153439176C00170967673236
cytidine-5-monophosphateCMPME6521826131C00055975265169
uridine-5'-monophosphateUMPME6522806030C00105979035352


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