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Analysis: CE POSITIVE ION MODE

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
AdenineAdenineME706146190---
AdenosineAdenosineME70616460961---
AlaAlanineME706122602---
ArgArginineME7061576322---
Argininosuccinic acidArgininosuccinic acidME70616716950---
AsnAsparagineME706142236---
AspAspartic acidME706144424---
Beta-Alabeta-AlanineME706123239---
BetaineBetaineME706133247---
Betaine aldehydeBetaine aldehydeME706136249---
CarnitineCarnitineME70615585---
CarnosineCarnosineME706129439224---
CholineCholineME706127305---
CitrullineCitrullineME7061589750---
CreatineCreatineME706139586---
CreatinineCreatinineME706130588---
CysCysteineME706137594---
CystathionineCystathionineME706163834---
Gamma-Aminobutyric acidgamma-Aminobutyric acidME706126119---
GlnGlutamineME706149738---
GluGlutamic acidME706151611---
Glutathione (GSH)GlutathioneME706169124886---
Glutathione (GSSG)Oxidized glutathioneME70616865359---
GlyGlycineME706120750---
GuanineGuanineME706153764---
GuanosineGuanosineME7061666802---
HisHistidineME706154773---
HomocysteineHomocysteineME706145778---
HomoserineHomoserineME70613412647---
HydroxyprolineHydroxyprolineME7061385810---
HypoxanthineHypoxanthineME706147790---
IleIsoleucineME706141791---
InosineInosineME7061656021---
LeuLeucineME706140857---
LysLysineME706150866---
MetMethionineME706152876---
N,N-DimethylglycineDimethylglycineME706125673---
OrnithineOrnithineME706143389---
PhePhenylalanineME706156994---
ProProlineME706131614---
PutrescinePutrescineME7061211045---
S-AdenosylhomocysteineS-AdenosylhomocysteineME706160439155---
S-AdenosylmethionineS-AdenosylmethionineME70617034755---
SarcosineSarcosineME7061241088---
SerSerineME706128617---
SpermidineSpermidineME7061481102---
SpermineSpermineME7061611103---
ThrThreonineME7061356288---
TrpTryptophanME7061621148---
TyrTyrosineME7061591153---
UreaUreaME7061191176---
ValValineME7061321182---


Analysis: CE NEGATIVE ION MODE

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
2,3-Diphosphoglyceric acid2,3-Diphosphoglyceric acidME706210186004---
2-Hydroxyglutaric acid2-Hydroxyglutaric acidME70622643---
2-Oxoglutaric acid2-Oxoglutaric acidME70623051---
2-Oxoisovaleric acidKetoisovaleric acidME70621549---
2-Phosphoglyceric acid2-Phosphoglyceric acidME706209439278---
3-Phosphoglyceric acid3-Phosphoglyceric acidME706211439183---
6-Phosphogluconic acid6-Phosphogluconic acidME70620691493---
Acetoacetyl CoAAcetoacetyl-CoAME70618892153---
Acetyl CoAAcetyl-CoAME706189444493---
Adenylosuccinic acidAdenylsuccinic acidME706204447145---
ADPADPME7062186022---
ADP-riboseADP-riboseME706176445794---
AMPAMPME7062146083---
ATPATPME7062215957---
cAMP3',5' cyclic AMPME7061726076---
CarbamoylphosphateCarbamoylphosphateME706227278---
cGMP3',5' cyclic GMPME70617324316---
cis-Aconitic acidcis-Aconitic acidME706233643757---
Citric acidCitric acidME706232311---
CoACoenzyme AME70619287642---
Dihydroxyacetone phosphateDihydroxyacetone phosphateME706203668---
Erythrose 4-phosphateErythrose 4-phosphateME706196122357---
Folic acidFolic acidME7061906037---
Fructose 1,6-diphosphateFructose 1,6-bisphosphateME706205172313---
Fructose 1-phosphateFructose 1-phosphateME706185439394---
Fructose 6-phosphateFructose 6-phosphateME706184603---
Fumaric acidFumaric acidME706231444972---
Galactose 1-phosphateGalactose 1-phosphateME706186123912---
GDPGDPME7062168977---
Glucose 1-phosphateGlucose 1-phosphateME70618765533---
Glucose 6-phosphateGlucose 6-phosphateME7061835958---
Glyceraldehyde 3-phosphateGlyceraldehyde 3-phosphateME706198729---
Glycerol 3-phosphatesn-Glycero-3-phosphateME706222439162---
Glycolic acidGlycolic acidME706223757---
Glyoxylic acidGlyoxylic acidME706220760---
GMPGMPME7062136804---
GTPGTPME7062196830---
HMG CoA3-Hydroxy-3-methylglutaryl-CoAME706197445127---
IMPIMPME7061818582---
Isocitric acidIsocitric acidME7062341198---
Lactic acidLactic acidME706217612---
Malic acidMalic acidME706229525---
Malonyl CoAMalonyl-CoAME706200644066---
Mevalonic acidMevalonic acidME706177134965---
N-Acetylglutamic acidN-Acetylglutamic acidME70622570914---
NAD+NADME7061715893---
NADHNADHME706174439153---
NADP+NADPME7061805886---
NADPHNADPHME7061995884---
N-Carbamoylaspartic acidN-Carbamoylaspartic acidME70620793072---
PhosphocreatinePhosphocreatineME7062019548602---
Phosphoenolpyruvic acidPhosphoenolpyruvic acidME7062121005---
PRPPPhosphoribosyl pyrophosphateME7062087339---
Pyruvic acidPyruvic acidME7062241060---
Ribose 1-phosphateRibose 1-phosphateME706193439236---
Ribose 5-phosphateRibose 5-phosphateME706191439167---
Ribulose 5-phosphateRibulose 5-phosphateME706194439184---
Sedoheptulose 7-phosphateSedoheptulose 7-phosphateME706182165007---
Succinic acidSuccinic acidME7062281110---
UDP-glucoseUDP-glucoseME7061788629---
Uric acidUric acidME7061791175---
XanthineXanthineME7061751188---
XMPXMPME70620273323---
Xylulose 5-phosphateXylulose 5-phosphateME706195439190---


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