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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
phosphatePhosphoric acidME6578031004C00009--
phosphoric acidPhosphoric acidME6578041004C00009--
pyruvic acidPyruvic acidME6578071060C00022--
alpha ketoglutaric acid2-Oxoglutaric acidME65773951C00026--
glycineGlycineME657771750C00037--
L-alanineAlanineME6577815950C00041--
succinic acidSuccinic acidME6578111110C00042--
L-lysineLysineME6577885962C00047--
L-glutamineGlutamineME6577865961C00064--
L-serineSerineME6577905951C00065--
L-tryptophanTryptophanME6577936305C00078--
sucroseSucroseME6578125988C00089--
glycerol-3-phosphatesn-Glycero-3-phosphateME657770439162C00093--
fructoseFructoseME6577625984C00095--
L-cysteineCysteineME657782594C00097--
beta-alaninebeta-AlanineME657743239C00099--
uracilUracilME6578171174C00106--
glycerolGlycerolME657769753C00116--
riboseRiboseME6578105779C00121--
fumaric acidFumaric acidME657763444972C00122--
D (+) galactoseGalactoseME6577496036C00124--
L-histidineHistidineME6577876274C00135--
inositolInositolME657775892C00137--
citric acidCitric acidME657747311C00158--
glycolic acidGlycolic acidME657772757C00160--
benzoic acidBenzoic acidME657742243C00180--
L-valineValineME6577946287C00183--
1,3-dihydroxyacetoneDihydroxyacetoneME657712670C00184--
L-(+) lactic acidLactic acidME657778107689C00186--
cholesterolCholesterolME6577455997C00187--
L-threonineThreonineME6577926288C00188--
ethanolamineEthanolamineME657761700C00189--
oxalic acidOxalic acidME657801971C00209--
gluconic acidGluconic acidME65776610690C00257--
glyceric acidGlyceric acidME657768439194C00258--
hypoxanthineHypoxanthineME657774790C00262--
quinic acidQuinic acidME6578086508C00296--
uric acidUric acidME6578191175C00366--
ribitolRibitolME6578096912C00379--
xylitolXylitolME6578236912C00379--
xanthineXanthineME6578201188C00385--
D-mannitolMannitolME6577576251C00392--
D-malic acidD-Malic acidME65775692824C00497--
4-hydroxyphenylacetic acid4-Hydroxyphenylacetic acidME657735127C00642--
creatinineCreatinineME657748588C00791--
D-sorbitolSorbitolME657758453C00794--
citramalic acidCitramalic acidME6577461081C00815--
mucic acidGalactaric acidME65779633037C00818--
pantothenic acidPantothenic acidME657802988C00864--
aminomalonic acidAminomalonic acidME657740100714C00872--
tartaric acidTartaric acidME657814444305C00898--
3-indoleacetic acidIndoleacetic acidME657732802C00954--
L-(-)-fucoseFucoseME657777220001C01019--
N-methylglutamic acidN-Methyl-glutamic acidME657800439377C01046--
1-methyl-histidine1-MethylhistidineME65771492105C01152--
3-methyl-L-histidine3-MethylhistidineME65773464969C01152--
carbonate ionCarbonic acidME657744767C01353--
xanthosineXanthosineME65782164959C01762--
L-pyroglutamic acidPyroglutamic acidME6577897405C01879--
arabitolArabitolME657741827C01904--
pseudouridinePseudouridineME65780615047C02067--
dehydroalanine2-Aminoacrylic acidME657751123991C02218--
7-methylguanine7-MethylguanineME65773711361C02242--
trans-aconitic acidtrans-Aconitic acidME657815444212C02341--
xanthurenic acidXanthurenic acidME6578225699C02470--
1-methyladenosine1-MethyladenosineME65771327476C02494--
2-butyne-1,4-diolBut-2-yne-1,4-diolME6577208066C02497--
2-hydroxypyridine2-HydroxypyridineME6577238871C02502--
N-methylanthranilic acid2-(Methylamino)benzoic acidME65779967069C03005--
3-hydroxy-3-methylglutaric acid3-Hydroxymethylglutaric acidME6577301662C03761--
trimethyllysineN-6-TrimethyllysineME657816440120C03793--
DL-3-aminoisobutyric acid3-Aminoisobutanoic acidME65775364956C05145--
melibioseMelibioseME657795440658C05402--
3-hydroxyphenylacetic acid3-Hydroxyphenylacetic acidME65773112122C05593--
5-hydroxyindole-3-acetic acid5-Hydroxyindoleacetic acidME6577361826C05635--
N-carbamyl-L-glutamic acidCarglumic acidME6577983679006C05829--
D-(+)-melezitoseMelezitoseME65775092817C08243--
7-methylxanthine7-MethylxanthineME65773868374C16353--
D-threitolThreitolME657759169019C16884--
2,3-dihydroxybutanoic acid2,3-Dihydroxybutanoic acidME65771513120901---
2,3-dihydroxybutyric acid 12,3-Dihydroxybutanoic acidME65771713120901---
2,3-dihydroxybutyric acid 22,3-Dihydroxybutanoic acidME657716----
2,3-dihydroxybutyric acid 22,3-Dihydroxybutanoic acidME65771813120901---
2,4-dihydroxybutyric acid2,4-Dihydroxybutanoic acidME657719192742---
2-deoxyribonic acid2-Deoxyribonic acidME65772111528367---
2-hydroxyacrylic acid2-Hydroxyacrylic acidME6577221014---
2-keto-l-gluconic acid-ME657724----
2-methyl-3-hydroxybutyric acid2-Methyl-3-hydroxybutyric acidME657725160471---
2-methyl-3-hydroxypropanoic acid2-Methyl-3-hydroxypropanoic acidME65772610192563---
3-(3-hydroxyphenyl)-3-hydroxypropionic acid3-(3-Hydroxyphenyl)-3-hydroxypropanoic acidME657727102959---
3,4-dihydroxybutanoic acid3,4-Dihydroxybutyric acidME657728150929---
3,4-dihydroxybutyric acid3,4-Dihydroxybutyric acidME657729150929---
3-methyl-3-hydroxybutyric acid-ME657733----
D-glucose 1GlucoseME65775264689---
DL-isoleucineIsoleucineME6577546306---
D-lyxoseLyxoseME657755229---
D-xylose 1XyloseME657760----
galacturonic acid 1Galacturonic acidME657764----
glucoheptonic acidGlucoheptonic acidME65776525588---
glucosylglycerolGlucosylglycerolME657767----
hippuric acid 1Hippuric acidME657773----
isohydroxybutyric acid-ME657776----
lactobionic acidLactobionic acidME6577797314---
lactose 1LactoseME657780----
L-cystine 2CystineME657783----
leucroseLeucroseME657784165577---
L-glutamic acidGlutamic acidME65778533032---
L-threonic acid 1Threonic acidME657791----
N-acetyl-D-mannosamineN-Acetyl-mannosamineME65779765150---
porphinePorphyrin-ringME6578055481287---
tagatoseD-TagatoseME6578131101---
urea (partial derivative)-ME657818----


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