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Analysis: Normal phase POSITIVE ION MODE

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
12,13-EpOME12(13)-EpOMEME582221--11.304-
12S-HHT12S-HHTrEME582220--10.103-
1-Methylxanthine1-MethylxanthineME582219--2.047-
27-Norcholestanehexol-ME582218--13.452-
2'-Deoxyguanosine 5'-monophosphatedGMPME582217--1.305-
2-Propenyl cyclohexanebutanoate-ME582216--13.225-
3-Methyl sulfolene-ME582215--1.299-
3-Oxohexadecanoic acid3-Ketopalmitic acidME582214--10.466-
3-Oxooctadecanoic acid-ME582213--11.638-
3-Phosphoglyceric acid3-Phosphoglyceric acidME582212--0.987-
4-Hydroxycitrulline-ME582211--14.523-
4-Trimethylammoniobutanoic acid3-DehydroxycarnitineME582210--0.844-
AdenosineAdenosineME582209--1.344-
Alpha-Linolenoyl ethanolamidealpha-Linolenoyl-EAME582208--11.773-
Amidosulfonic acid-ME582207--14.522-
Arachidonic acidArachidonic acidME582206--12.761-
Aspartyl-LeucineAsp-LeuME582205--3.011-
Azelaic acidAzelaic acidME582204--5.34-
Benzoic acidBenzoic acidME582203--0.748-
Cer(d18:1/16:0)Cer 18:1;O2/16:0ME582202--14.431-
Cinnamic acidtrans-Cinnamic acidME582201--2.529-
CortisolCortisolME582200--6.203-
CreatineCreatineME582199--0.835-
CyclohexylamineCyclohexylamineME582198--14.358-
CytidineCytidineME582197--0.838-
Diaminopimelic acidDiaminopimelic acidME582196--0.747-
Dibutyl decanedioateDibutyl decanedioateME582195--13.001-
Diethyl phthalic acidDiethyl phthalateME582194--11.156-
Dihydrolipoate(R)-Dihydrolipoic acidME582193--14.542-
DL-o-Chlorophenylalanine-ME582192--3.337-
Docosahexaenoic acidDocosahexaenoic acidME582191--12.583-
DocosanamideDocosanamideME582190--12.269-
DopamineDopamineME582189--0.862-
Eicosapentaenoic acidEicosapentaenoic acidME582188--10.631-
Glycerol 1-(5-hydroxydodecanoate)Glycerol-1-(5-hydroxydodecanoate)ME582187--7.508-
Glycerophosphocholinesn-Glycero-3-phosphocholineME582186--0.831-
Glycyl-PhenylalanineGly-PheME582185--2.905-
GuanineGuanineME582184--0.844-
GuanosineGuanosineME582183--1.522-
Guanosine monophosphateGMPME582182--1.303-
Heptylmalonic acid-ME582181--6.004-
Hexadecanedioic acidHexadecanedioic acidME582180--12.097-
HypoxanthineHypoxanthineME582179--1.3-
Indane-ME582178--9.03-
IndoleIndoleME582177--3.337-
Indoleacrylic acidIndoleacrylic acidME582176--3.198-
InosineInosineME582175--1.536-
Jasmonic acidJasmonic acidME582174--6.81-
Kynurenic acidKynurenic acidME582173--2.453-
L-AlanineAlanineME582172--0.836-
L-ArginineArginineME582171--0.786-
L-AsparagineAsparagineME582170--0.866-
LeucylleucineLeu-LeuME582169--4.066-
LeucylprolineLeu-ProME582168--3.204-
L-Glutamic acidGlutamic acidME582167--0.851-
L-GlutamineGlutamineME582166--0.841-
L-HistidineHistidineME582165--0.821-
L-HomoserineHomoserineME582164--0.848-
LinoleamideLinoleamideME582163--12.018-
L-LeucineLeucineME582162--1.594-
L-LysineLysineME582161--0.738-
L-MethionineMethionineME582160--1.299-
L-PhenylalaninePhenylalanineME582159--2.532-
L-ProlineProlineME582158--0.837-
L-TheanineN(5)-Ethyl-glutamineME582157--1.299-
L-TryptophanTryptophanME582156--3.312-
L-TyrosineTyrosineME582155--1.337-
L-ValineValineME582154--1.046-
LysoPC(10:0/0:0)LPC 10:0/0:0*ME582153--6.859-
LysoPC(14:0/0:0) LPC 14:0/0:0ME582152--9.001-
"LysoPC(16:0/0:0)LPC 16:0/0:0ME582151----
LysoPC(16:1(9Z)/0:0)LPC 16:1(9Z)/0:0ME582150--9.447-
LysoPC(18:0/0:0)LPC 18:0/0:0ME582149--11.536-
LysoPC(18:1(9Z)/0:0)LPC 18:1(9Z)/0:0*ME582148--10.558-
"LysoPC(18:2(9Z,12Z)/0:0)LPC 18:2(9Z,12Z)/0:0*ME582147----
LysoPC(20:3(5Z,8Z,11Z)/0:0)LPC 20:3(5Z,8Z,11Z)/0:0*ME582146--10.241-
LysoPC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0)LPC 22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0*ME582145--9.766-
LysoPC(P-18:0/0:0)LPC P-18:0ME582144--10.893-
LysoPC(P-18:1(9Z)/0:0)-ME582143--10.86-
LysoPE(14:0/0:0)LPE 14:0/0:0ME582142--7.382-
LysoPE(15:0/0:0)LPE 15:0/0:0ME582141--7.916-
LysoPE(16:0/0:0)LPE 16:0/0:0ME582140--8.445-
LysoPE(18:0/0:0)LPE 18:0/0:0ME582139--11.441-
LysoPE(18:1(9Z)/0:0)LPE 18:1(9Z)/0:0ME582138--10.485-
LysoPE(20:4(5Z,8Z,11Z,14Z)/0:0)LPE 20:4(5Z,8Z,11Z,14Z)/0:0*ME582137--9.582-
"LysoPE(22:4(7Z,10Z,13Z,16Z)/0:0)LPE 22:4(7Z,10Z,13Z,16Z)/0:0*ME582136----
LysoPE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0)LPE 22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0*ME582135--9.571-
LysoPE(P-16:0/0:0)LPE P-16:0ME582134--10.514-
LysoPI(20:4(5Z,8Z,11Z,14Z)/0:0)LPI 20:4(5Z,8Z,11Z,14Z)/0:0*ME582133--12.133-
MG(18:0/0:0/0:0)MG 18:0/0:0/0:0ME582132--14.014-
Monoethylhexyl phthalic acidMonoethylhexyl phthalic acidME582131--11.172-
N1-AcetylspermidineN1-AcetylspermidineME582128--0.837-
N-Acetyl-L-methionineN-AcetylmethionineME582127--3.542-
NADNAD+ME582126--1.29-
N-DecanoylglycineN-DecanoylglycineME582125--6.23-
N-HeptanoylglycineN-HeptanoylglycineME582124--4.362-
N-HexadecanoylpyrrolidineEthyl 2-pyrrolecarboxylateME582123--13.858-
NiacinamideNiacinamideME582122--1.3-
N,N-DimethylanilineN,N-DimethylanilineME582130--14.344-
N,N-DimethylformamideN,N-DimethylformamideME582129--0.973-
"N-NonanoylglycineN-NonanoylglycineME582121----
NorcotinineNorcotinineME582120--0.689-
N-UndecanoylglycineN-UndecanoylglycineME582119--6.808-
OctadecanamideStearamideME582118--13.701-
OleamideOleamideME582117--12.825-
Oleic acidOleic acidME582116--11.341-
OleoylethanolamideOleoyl-EAME582115--12.365-
Oleoylglycerophosphoserine-ME582114--11.164-
O-Toluidineo-ToluidineME582113--14.488-
Oxidized glutathioneOxidized glutathioneME582112--1.297-
Palmitic amidePalmitamideME582111--12.567-
Pantothenic acidPantothenic acidME582110--2.81-
PC(14:1(9Z)/14:1(9Z))PC 14:1(9Z)/14:1(9Z)*ME582109--12.741-
PC(15:0/P-16:0)-ME582108--13.789-
PC(20:1(11Z)/14:0)PC 20:1(11Z)/14:0*ME582107--7.812-
PE(18:2(9Z,12Z)/P-18:1(11Z))-ME582106--12.347-
PentadecanoylcarnitineCAR 15:0ME582105--13.222-
"PhenylacetylglycinePhenylacetylglycineME582104----
PhosphatePhosphoric acidME582103--0.951-
Phosphoenolpyruvic acidPhosphoenolpyruvic acidME582102--0.997-
Phosphoglycolic acidPhosphoglycolic acidME582101--14.537-
Phosphohydroxypyruvic acidPhosphohydroxypyruvic acidME582100--14.621-
PhytosphingosinePhytosphingosineME582099--7.596-
Pipecolic acidPipecolic acidME582098--0.699-
PiperidinePiperidineME582097--1.599-
PS(20:3(8Z,11Z,14Z)/15:0)PS 20:3(8Z,11Z,14Z)/15:0*ME582096--14.525-
PS(22:4(7Z,10Z,13Z,16Z)/15:0)PS 22:4(7Z,10Z,13Z,16Z)/15:0*ME582095--14.52-
PyridinePyridineME582094--0.911-
Pyroglutamic acidPyroglutamic acidME582093--0.855-
SerineSerineME582092--0.86-
SphinganineSphinganineME582091--8.477-
SphingosineSphingosineME582090--8.814-
Tetradecanedioic acidTetradecanedioic acidME582089--9.574-
TheobromineTheobromineME582088--1.023-
TriethanolamineTriethanolamineME582087--0.839-
TriethylamineTriethylamineME582086--14.329-
Tyromycic acid-ME582085--4.429-
Undecanoylcarnitine-ME582084--8.256-
UracilUracilME582083--1.023-
Urocanic acidUrocanic acidME582082--1.307-


Analysis: Normal phase NEGATIVE ION MODE

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
1,11-Undecanedicarboxylic acidTridecanedioic acidME582298--7.823-
12,13-EpOME12(13)-EpOMEME582326--10.332-
12S-HHT12S-HHTrEME582318--9.381-
1,3,5-Trihydroxy-10-methylacridone-ME582302--0.824-
15,16-DiHODE15,16-DiHODEME582336--9.297-
15(S)-Hydroxyeicosatrienoic acid-ME582341--10.895-
16(17)-EpDPE16(17)-EpDPEME582349--10.553-
16-Hydroxy hexadecanoic acidJuniperic acidME582314--12.231-
1-pentadecanoyl-glycero-3-phosphate-ME582362--12.554-
1-Phenyl-1,3-octadecanedione-ME582355--13.694-
20-Hydroxyeicosatetraenoic acid20-HETEME582340--10.585-
2'-Deoxyguanosine 5'-monophosphatedGMPME582351--1.308-
2-Hydroxystearic acid2-Hydroxystearic acidME582328--13.352-
3,4-Methyleneazelaic acid-ME582284--6.459-
"3-Aminosalicylic acid3-Aminosalicylic acidME582255--"-
3-Furoic acid3-Furoic acidME582228--1.31-
3-Hydroxydodecanedioic acid3-Hydroxy-dodecanedioic acidME582300--5.138-
3-Hydroxynonanoic acid-ME582264--7.338-
3-hydroxypentadecanoic acid-ME582305--11.6-
3-hydroxypristanic acid-ME582338--12.923-
3-Oxohexadecanoic acid3-Ketopalmitic acidME582310--10.455-
3-Oxooctadecanoic acid-ME582327--12.504-
3-Phosphoglyceric acid3-Phosphoglyceric acidME582267--1.075-
3-Sulfodeoxycholic acidDeoxycholic acid 3-sulfateME582369--13.983-
4-Dodecylbenzenesulfonic Acid4-Dodecylbenzenesulfonic acidME582343--14.449-
4-Nitrophenol4-NitrophenolME582246--5.836-
5,8,11-Eicosatrienoic acid5,8,11-Eicosatrienoic acidME582333--13.348-
5-Hydroxydecanoic acid5-Hydroxycapric acidME582270--8.101-
6-Phosphogluconic acid6-Phosphogluconic acidME582316--1.067-
7,8-Dehydro-beta-micropteroxanthin-ME582361--14-
Acoric acid-ME582309--10.375-
Adipic acidAdipic acidME582248--3.185-
Adrenic acidAdrenic acidME582346--13.398-
Arachidic acidArachidic acidME582337--14.043-
Arachidonic acidArachidonic acidME582332--12.728-
Arnamiol-ME582366--9.031-
Azelaic acidAzelaic acidME582269--5.331-
Benzoic acidBenzoic acidME582236--3.999-
beta-D-Glucose 6-phosphate-ME582306--0.996-
ButylparabenButylparabenME582276--7.749-
CapryloylglycineCapryloylglycineME582279--5.011-
Citraconic acidCitraconic acidME582238--0.831-
Citramalic acidCitramalic acidME582252--0.841-
Citric acidCitric acidME582273--1.31-
Cyclamic acidCyclamic acidME582265--13.995-
CytidineCytidineME582295--0.961-
Daphniphylline-ME582379--10.524-
Daucic acid-ME582281--0.802-
Diethyl phthalic acidDiethyl phthalateME582289--7.497-
DL-o-Chlorophenylalanine-ME582277--3.321-
Docosahexaenoic acidDocosahexaenoic acidME582344--12.555-
Docosapentaenoic acidDocosapentaenoic acidME582345--12.867-
Docosatrienoic acidDocosatrienoic acidME582347--14.128-
Dodecanedioic acidDodecanedioic acidME582293--7.242-
Dodecanoic acidLauric acidME582278--7.709-
Eicosadienoic acid Eicosadienoic acidME582334--13.945-
Eicosapentaenoic acidEicosapentaenoic acidME582331--12.136-
Ellagic acidEllagic acidME582329--4.619-
Estradiolbeta-EstradiolME582313--3.192-
Ethyl tetradecanoateEthyl tetradecanoateME582301--13.411-
gamma-Aminobutyric acidgamma-Aminobutyric acidME582224--0.805-
gamma-Glutamylalaninegamma-GlutamylalanineME582287--0.831-
Ginkgoic acidGinkgoic acidME582350--10.822-
Glyceric acidGlyceric acidME582227--0.964-
Glycerol 3-phosphatesn-Glycero-3-phosphateME582261--0.918-
Glycerophosphoglycerolsn-Glycero-3-phosphoglycerolME582299--0.811-
Glycyl-PhenylalanineGly-PheME582290--3.297-
GuanineGuanineME582254--0.983-
GuanosineGuanosineME582321--1.52-
Guanosine monophosphateGMPME582356--1.309-
Heptadecanoic acidMargaric acidME582311--13.972-
HeptanoylcarnitineCAR 7:0ME582315--6.244-
Heptylmalonic acid-ME582280--5.996-
Hexadecanedioic acidHexadecanedioic acidME582324--9.566-
HypoxanthineHypoxanthineME582244--1.295-
IndoleIndoleME582232--3.329-
InosineInosineME582308--1.533-
Isotetrandrine-ME582384--14.541-
Jasmonic acidJasmonic acidME582283--6.796-
KetoleucineKetoleucineME582239--4.124-
L-ArginineArginineME582263--0.779-
L-AsparagineAsparagineME582241--0.907-
L-Aspartic acidAspartic acidME582242--0.927-
L-Glutamic acidGlutamic acidME582251--0.819-
L-Glutamic acid 5-phosphateL-Glutamic acid 5-phosphateME582291--1.301-
L-GlutamineGlutamineME582249--0.843-
L-HistidineHistidineME582256--0.824-
Linoleic acidLinoleic acidME582319--12.876-
L-Lactic acidLactic acidME582222--1.291-
L-LeucineLeucineME582240--1.591-
L-LysineLysineME582250--0.706-
L-MethionineMethionineME582253--1.29-
L-PhenylalaninePhenylalanineME582258--2.511-
L-ThreonineThreonineME582235--0.938-
L-TryptophanTryptophanME582282--3.177-
L-TyrosineTyrosineME582266--1.339-
L-ValineValineME582233--1.057-
LysoPE(14:0/0:0)LPE 14:0/0:0ME582364--7.975-
LysoPE(16:0/0:0)LPE 16:0/0:0ME582368--10.105-
LysoPE(16:1(9Z)/0:0)LPE 16:1(9Z)/0:0ME582367--9.333-
LysoPE(18:0/0:0)LPE 18:0/0:0ME582372--11.406-
LysoPE(18:1(9Z)/0:0)LPE 18:1(9Z)/0:0ME582371--10.449-
LysoPE(18:2(9Z,12Z)/0:0)LPE 18:2(9Z,12Z)/0:0*ME582370--9.705-
LysoPE(20:4(5Z,8Z,11Z,14Z)/0:0)LPE 20:4(5Z,8Z,11Z,14Z)/0:0*ME582375--9.565-
LysoPE(20:5(5Z,8Z,11Z,14Z,17Z)/0:0)LPE 20:5(5Z,8Z,11Z,14Z,17Z)/0:0*ME582373--9.003-
"LysoPE(22:4(7Z,10Z,13Z,16Z)/0:0)LPE 22:4(7Z,10Z,13Z,16Z)/0:0*ME582380--"-
LysoPE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0)LPE 22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0*ME582378--9.688-
LysoPE(P-16:0/0:0)LPE P-16:0ME582365--10.485-
LysoPI(16:0/0:0)LPI 16:0/0:0ME582381--11.368-
LysoPI(18:0/0:0)LPI 18:0/0:0ME582382--10.059-
LysoPI(20:4(5Z,8Z,11Z,14Z)/0:0)LPI 20:4(5Z,8Z,11Z,14Z)/0:0*ME582383--10.639-
Maleic acidMaleic acidME582231--0.903-
Malic acidMalic acidME582243--0.838-
Malonic acidMalonic acidME582225--13.431-
Methylmalonic acidMethylmalonic acidME582234--1.502-
MitotaneMitotaneME582339--0.733-
Monoethylhexyl phthalic acidMonoethylhexyl phthalic acidME582317--9.968-
MyristoylglycineN-MyristoylglycineME582323--10.786-
Myrsinone-ME582325--8.382-
N-Acetyl-L-glutamic acidN-Acetyl-mannosamineME582271--1.327-
N-Acetyl-L-methionineN-AcetylmethionineME582272--3.4-
N-DecanoylglycineN-DecanoylglycineME582292--6.219-
N-Desmethylzopiclone-ME582359--5.048-
N-HeptanoylglycineN-HeptanoylglycineME582268--4.358-
N-LauroylglycineN-LauroylglycineME582303--7.368-
"N-NonanoylglycineN-NonanoylglycineME582285--"-
N-UndecanoylglycineN-UndecanoylglycineME582296--6.796-
N-Undecylbenzenesulfonic acidN-Undecylbenzenesulfonic acidME582335--14.424-
Octadecyl fumarate-ME582357--13.408-
Oleic acidOleic acidME582320--13.619-
Oleoylglycerophosphoserine-ME582377--11.141-
O-PhosphoethanolaminePhosphoethanolamineME582247--0.968-
PA(8:0/8:0)PA 8:0/8:0*ME582363--4.918-
Pantothenic acidPantothenic acidME582288--2.804-
Phaseolic acidPhaseolic acidME582307--3.197-
"PhenylacetylglycinePhenylacetylglycineME582275--"-
PhosphatePhosphoric acidME582223--0.98-
Phosphoenolpyruvic acidPhosphoenolpyruvic acidME582260--1.021-
Phthalic acidPhthalic acidME582259--4.011-
Pimelic acidPimelic acidME582257--3.919-
Piperochromenoic acid-ME582348--14.441-
Prostaglandin E1PGE1ME582353--6.94-
Prostaglandin E2PGE2ME582352--7.127-
PS(15:0/20:1(11Z))PS 15:0/20:1(11Z)*ME582385--14.482-
PS(20:0/15:0)PS 20:0/15:0*ME582386--14.48-
PS(22:0/15:0)PS 22:0/15:0*ME582387--14.483-
Pyroglutamic acidPyroglutamic acidME582237--1.304-
QuercetinQuercetinME582330--5.398-
Quinic acidQuinic acidME582274--12.056-
SerineSerineME582226--0.931-
Sphingosine 1-phosphateSphingosine 1-phosphateME582360--8.875-
Stearic acidStearic acidME582322--10.319-
Suberic acidSuberic acidME582262--4.643-
Taurocholic acidTaurocholic acidME582376--7.723-
Taurodeoxycholic acidTaurodeoxycholic acidME582374--8.428-
Tetracosahexaenoic acidTetracosahexaenoic acidME582354--13.15-
Tetradecanedioic acidTetradecanedioic acidME582304--8.413-
Thromboxane B2TXB2ME582358--6.06-
ThymidineThymidineME582294--3.716-
Tragopogonsaponin L-ME582388--7.722-
Tridecanoylglycine-ME582312--7.937-
Trifluoroacetic acid-ME582230--0.739-
TylosinTylosinME582389--8.023-
Undecanedioic acidUndecanedioic acidME582286--6.629-
UracilUracilME582229--1.1-
UridineUridineME582297--0.84-
Uridine 5'-monophosphateUMPME582342--1.306-
Urocanic acidUrocanic acidME582245--0.944-


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