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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
1-Methylnicotinamide1-Methyl nicotinamideME707724457-20.3-
3-Methylhistamine3-MethylhistamineME70772369520-20.29-
4-Guanidinobutyric Acid4-Guanidinobutanoic acidME707707500-9.14-
5-Aminopentanoic Acid5-Aminopentanoic acidME707718--12.91-
Acetylglutamic AcidN-Acetyl-mannosamineME707704--8.84-
AlanineAlanineME7076925950-7.31-
ArginineArginineME7077256322-22.01-
Argininosuccinic AcidArgininosuccinic acidME70771116950-9.77-
Aspartic AcidAspartic acidME7077085960-9.17-
BilirubinBilirubinME7076855280352-1.07-
CAR 12:0CAR 12:0ME707702--7.95-
CAR 14:1CAR 14:1ME707699--7.68-
CAR 16:0CAR 16:0ME707697--7.56-
CAR 16:0;OCAR 16:0;OHME707701--7.95-
CAR 16:1CAR 16:1ME707698--7.58-
CAR 16:1;OCAR 16:1;OHME707703--7.97-
CAR 18:0CAR 18:0ME707694--7.4-
CAR 18:1CAR 18:1ME707693--7.39-
CAR 18:2CAR 18:2ME707695--7.46-
CAR 18:3CAR 18:3ME707696--7.5-
CAR 2:0CAR 2:0ME707716--11.58-
CAR 3:0CAR 3:0ME707714--10.8-
CAR 4:0CAR 4:0ME707713--10.07-
CAR 4:1;O2CAR DC4:0ME707715--10.95-
CAR 5:0CAR 5:0ME707709--9.53-
CAR 6:0CAR 6:0ME707705--9.08-
CarnitineCarnitineME70771710917-12.05-
CholineCholineME707722305-20.29-
CreatinineCreatinineME707690588-5.09-
Deoxycarnitine3-DehydroxycarnitineME707719134-14.96-
GlutamineGlutamineME7077105961-9.63-
Guanidinosuccinic AcidGuanidinosuccinic acidME70770097856-7.74-
GuanineGuanineME707689764-2.93-
HypoxanthineHypoxanthineME707687790-2.48-
L-Monomethylarginine-ME707729--24.86-
N1-AcetylspermidineN1-AcetylspermidineME707728496-24.31-
NicotinamideNiacinamideME707686936-1.77-
OrnithineOrnithineME7077216262-16.8-
PhosphocholineCholine phosphateME7077201014-16.12-
Proline BetaineProline betaineME707706115244-9.11-
S-AdenosylmethionineS-AdenosylmethionineME707726--23.72-
TrimethyllysineN-6-TrimethyllysineME707727440121-24.26-
UDPUDPME7077126031-9.97-
UreaUreaME7076881176-2.6-
Urocanic AcidUrocanic acidME707691736715-6.516-


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-Methyladenosine1-MethyladenosineME70779927476-9.19-
2-Aminoadipic Acidalpha-Aminoadipic acidME707794469-8.85-
2-Aminoisobutyric AcidAminoisobutyric acidME7077936119-8.84-
2-Hydroxybutyric Acid2-Hydroxybutyric acidME707749--2.39-
2-Hydroxyphenylacetic Acid2-Hydroxyphenylacetic acidME70774011970-1.6-
2-Methylcitric Acid2-Methylcitric acidME707807439681-9.78-
3-Aminoisobutyric Acid3-Aminoisobutanoic acidME70780664956-9.71-
3-Hydroxyanthranilic Acid3-Hydroxyanthranilic acidME70773886-1.44-
3-Hydroxybutanoic Acid3-Hydroxybutyric acidME707760441-3.93-
3-Hydroxymethylglutaric Acid3-Hydroxymethylglutaric acidME70778610329583-8.41-
3-Methylhistidine3-MethylhistidineME70783564969-12.55-
3-Phosphoglyceric Acid3-Phosphoglyceric acidME707827--11.36-
4-Aminobutyric Acid4-Aminopentanoic acidME707825--11.32-
4-Imidazoleacetic AcidImidazoleacetic acidME70781596215-10.29-
4-Pyridoxic Acid4-Pyridoxic acidME7077436723-1.75-
5-Hydroxyisouric Acid5-Hydroxyisouric acidME707741--1.62-
5'-Methylthioadenosine5'-MethylthioadenosineME707751--2.73-
5-OxoprolinePyroglutamic acidME707770--6.3-
Acetoacetic AcidAcetoacetic acidME7077456971017-1.89-
AcetylcysteineN-AcetylcysteineME707752--2.74-
AdenineAdenineME707767190-5.36-
AdenosineAdenosineME70776160961-3.98-
ADPADPME7078306022-11.63-
ADP-RiboseADP-riboseME707797--9.09-
AllantoinAllantoinME707748204-2.38-
AMPAMPME7078246083-11.27-
Ascorbic AcidVitamin CME70775354670067-2.8-
AsparagineAsparagineME7078146267-10.23-
ATPATPME70783244224003-11.84-
BetaineBetaineME707831247-11.72-
Cholesterol SulfateCholesterol sulfateME70773165076-0.85-
Citric AcidCitric acidME707809311-9.87-
CitrullineCitrullineME7078049750-9.57-
Cysteineglutathione DisulfideS-Glutathionyl-cysteineME70781253477713-10.13-
CytidineCytidineME7077696175-6.29-
Cytidine diphosphate cholineCDP-cholineME707836--13.46-
Dehydroascorbic AcidL-Dehydroascorbic acidME707744835-1.77-
Dihydrobiopterin4a-Carbinolamine tetrahydrobiopterinME707772--6.46-
Dihydroorotic AcidDihydroorotic acidME707730648-0.68-
DimethylarginineDimethylarginineME707840123831-26.36-
ErgothioneineErgothioneineME7078223032311-10.69-
ErythroseErythroseME70775794176-3.13-
Flavin Adenine DinucleotideFADME707789--8.56-
Fructose 6-PhosphateFructose 6-phosphateME70782169507-10.59-
Galacturonic AcidGalacturonic acidME707765445929-4.8-
GlucosamineGlucosamineME707800439213-9.23-
GlucoseGlucoseME7077555793-3.01-
Glucose 6-PhosphateGlucose 6-phosphateME7078285958-11.44-
Glutamic AcidGlutamic acidME70781033032-9.94-
GlutathioneGlutathioneME707808--9.79-
Glycerophosphocholinesn-Glycero-3-phosphocholineME707837--15.33-
Glycerophosphoinositolsn-Glycero-3-phosphoinositolME707784--8.26-
Glycerophosphoserinesn-Glycero-3-phosphoserineME707802--9.29-
GlycineGlycineME707818750-10.56-
GSSGOxidized glutathioneME70782911215652-11.54-
GuanosineGuanosineME7077646802-4.59-
HistamineHistamineME707842774-26.83-
HistidineHistidineME7078346274-12.05-
HypotaurineHypotaurineME707819107812-10.57-
Indoxylsulfuric acidIndoxyl sulfateME707732--0.86-
InosineInosineME7077596021-3.74-
IsoleucineIsoleucineME707792791-8.81-
Lactic AcidLactic acidME707756612-3.12-
LactoseLactoseME707763294-4.07-
LeucineLeucineME7077916106-8.6-
LysineLysineME7078395962-26.36-
MethionineMethionineME7077906137-8.58-
Myo-InositolMyo-inositolME707762892-4.07-
N-Acetylaspartic AcidN-Acetylaspartic acidME70778765065-8.49-
N-AcetylmannosamineN-Acetyl-mannosamineME707777439281-7.95-
N-Acetylneuraminic AcidN-Acetylneuraminic acidME707776439197-7.68-
NADHNADHME70778821604869-8.56-
Nicotinamide MononucleotideNicotinamide ribotideME70778014180-8.12-
Nicotinic AcidNicotinic acidME707737--1.24-
O-PhosphoethanolaminePhosphoethanolamineME707838--15.56-
Ophthalmic AcidOphthalmic acidME7078137018721-10.14-
Oxoglutaric Acid2-Oxoglutaric acidME70777451-7.18-
Pantothenic AcidPantothenic acidME707768988-6.16-
PhenylalaninePhenylalanineME7077836140-8.22-
Pipecolinic AcidPipecolic acidME707817736316-10.51-
ProlineProlineME707823145742-10.87-
PterinPterinME70775473000-2.98-
Pyrrole-2-Carboxylic AcidPyrrole-2-carboxylic acidME70780312473-9.49-
Pyruvic acidPyruvic acidME707746--1.94-
SaccharopineSaccharopineME707833160556-11.98-
S-AdenosylhomocysteineS-AdenosylhomocysteineME707816--10.48-
SerineSerineME7078115951-9.99-
S-LactoylglutathioneS-LactoylglutathioneME707779119450-8.09-
SorbitolSorbitolME7077665780-5.03-
ST 21:3;O5ST 21:3;O5ME707735--1.13-
ST 21:4;O5ST 21:4;O5ME707734--1.05-
Stachyose HydrateStachyoseME707795439531-8.93-
SuccinoadenosineSuccinyladenosineME70779620849086-8.96-
Succinylaminoimidazole carboxamide riboside-ME707798--9.11-
SucroseSucroseME7077715988-6.33-
Sulfite-ME7077421099-1.71-
TaurineTaurineME7077731123-6.68-
Taurodeoxycholic AcidTaurodeoxycholic acidME707736--1.24-
Taurolithocholic AcidTaurolithocholic acidME707733439763-1.04-
ThiamineThiamineME707841--26.58-
Thiosulfuric Acid-ME707775--7.25-
ThreonineThreonineME7078056288-9.64-
ThymidineThymidineME707739--1.55-
TryptophanTryptophanME7077786305-7.99-
TyramineTyramineME7078265610-11.36-
TyrosineTyrosineME7077856057-8.32-
UDP-GlucoseUDP-glucoseME70778253477679-8.22-
UDP-N-AcetylglucosamineUDP-N-acetylglucosamineME707781445675-8.17-
UMPUMPME7078206030-10.58-
Uric AcidUric acidME7077581175-3.64-
UridineUridineME7077476029-2.28-
ValineValineME7078011182-9.29-
XanthineXanthineME7077501188-2.57-


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