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Analysis: Reversed phase POSITIVE ION MODE

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
L-alanineAlanineME475193----
L-arginineArginineME475194----
L-asparagineAsparagineME475195----
L-aspartateAspartic acidME475196----
L-cysteineCysteineME475197----
L-glutamateGlutamic acidME475198----
glycineGlycineME475199----
L-histidineHistidineME475200----
L-leucineLeucineME475201----
L-isoleucineIsoleucineME475202----
L-lysineLysineME475203----
L-methionineMethionineME475204----
L-phenylalaninePhenylalanineME475205----
L-prolineProlineME475206----
L-serineSerineME475207----
L-threonineThreonineME475208----
L-tryptophanTryptophanME475209----
L-tyrosineTyrosineME475210----
L-valineValineME475211----
AdenosineAdenosineME475212----
AdenineAdenineME475213----
GuanosineGuanosineME475214----
GuanineGuanineME475215----
CytidineCytidineME475216----
CytosineCytosineME475217----
ThymineThymineME475218----
UracilUracilME475219----
InosineInosineME475220----
HypoxanthineHypoxanthineME475221----
XanthosineXanthosineME475222----
XanthineXanthineME475223----
3',5'-Cyclic AMP3',5' cyclic AMPME475224----
5-6-DihydrothymineDihydrothymineME475225----
PyridoxalPyridoxalME475226----
NicotinamideNiacinamideME475227----
PhosphatePhosphoric acidME475228----
Cys-GlyCys-GlyME475229----
gamma-L-Glutamyl-L-cysteinegamma-GlutamylcysteineME475230----
gamma-L-Glutamyl-D-alaninegamma-L-Glutamyl-D-alanineME475231----
gamma-Glutamyl-gamma-aminobutyrate4-(Glutamylamino) butanoateME475232----
gamma-L-Glutamylputrescinegamma-GlutamylputrescineME475233----
L-HomocysteineHomocysteineME475234----
CystathionineCystathionineME475235----
DimethylglycineDimethylglycineME475236----
BetaineBetaineME475237----
S-Adenosyl-L-homocysteineS-AdenosylhomocysteineME475238----
S-Adenosyl-L-methionineS-AdenosylmethionineME475239----
FolateFolic acidME475240----
OrnithineOrnithineME475241----
5-Methylthioadenosine5'-MethylthioadenosineME475242----
PutrescinePutrescineME475243----
SpermidineSpermidineME475244----
SpermineSpermineME475245----
N1-AcetylspermidineN1-AcetylspermidineME475246----
N-AcetylneuraminateN-Acetylneuraminic acidME475247----
D-GlucosamineGlucosamineME475248----
Asymmetric dimethyl arginineDimethylarginineME475249----
CreatineCreatineME475250----
TaurineTaurineME475251----
HypotaurineHypotaurineME475252----
L-Methionine S-oxideMethionine sulfoxideME475253----
KynurenineKynurenineME475254----
DiethanolamineDiethanolamineME475255----
TriethanolamineTriethanolamineME475256----
N-Methylethanolamine phosphateN-Methylethanolamine phosphateME475257----
L-CarnitineCarnitineME475258----
AcetylcarnitineCAR 2:0ME475259----
ButyrylcarnitineCAR 4:0ME475260----
ValerylcarnitineCAR 5:0ME475261----
MalonylcarnitineCAR DC3:0ME475262----
HexanoylcarnitineCAR 6:0ME475263----


Analysis: Reversed phase NEGATIVE ION MODE

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
L-glutamineGlutamineME475264----
ATPATPME475265----
ADPADPME475266----
AMPAMPME475267----
GTPGTPME475268----
GDPGDPME475269----
GMPGMPME475270----
CTPCTPME475271----
CDPCDPME475272----
CMPCMPME475273----
UTPUTPME475274----
UDPUDPME475275----
UMPUMPME475276----
UrateUric acidME475277----
UDP-glucoseUDP-glucoseME475278----
ADP-D-riboseADP-riboseME475279----
Flavin mononucleotideFMNME475280----
FADFADME475281----
FADH2FADH2ME475282----
NAD+NADME475283----
NADHNADHME475284----
DiphosphatePyrophosphateME475285----
D-GlucoseGlucoseME475286----
D-Hexose-phosphate-ME475287----
D-Fructose 1-6-bisphosphateFructose 1,6-bisphosphateME475288----
D-Glyceraldehyde 3-phosphate/Glycerone phosphateGlyceraldehyde 3-phosphateME475289----
1-3-Bisphosphoglycerate3-Phospho-D-glyceroyl dihydrogen phosphateME475290----
2/3-Phospho-D-glycerate2-Phosphoglyceric acidME475291----
PhosphoenolpyruvatePhosphoenolpyruvic acidME475292----
PyruvatePyruvic acidME475293----
LactateLactic acidME475294----
CitrateCitric acidME475295----
2-Oxoglutarate2-Oxoglutaric acidME475296----
SuccinateSuccinic acidME475297----
FumarateFumaric acidME475298----
MalateMalic acidME475299----
2-Hydroxyglutarate2-Hydroxyglutaric acidME475300----
6-Phospho-D-gluconate6-Phosphogluconic acidME475301----
Sedoheptulose 7-phosphateSedoheptulose 7-phosphateME475302----
Pentose phosphates-ME475303----
GlutathioneGlutathioneME475304----
Glutathione disulfideOxidized glutathioneME475305----
5-OxoprolinePyroglutamic acidME475306----
S-Glutathionyl-L-cysteineS-Glutathionyl-cysteineME475307----
PhosphoserinePhosphoserineME475308----
alpha-D-Glucosamine 1-phosphateGlucosamine 1-phosphateME475309----
Glucoronate/Galacturonate/Fructuronate/Iduronate/M...-ME475310----
UDP-D-glucuronateUDP-glucuronic acidME475311----
Arabinose/Xylulose/Xylose-ME475312----
UDP-N-acetyl-D-glucosamineUDP-N-acetylglucosamineME475313----
N-acetyl-D-glucosamineN-AcetylglucosamineME475314----
PantothenatePantothenic acidME475315----
Pantetheine 4--phosphatePantetheine 4'-phosphateME475316----
PantetheinePantetheineME475317----
sn-glycero-3-Phosphoethanolaminesn-Glycero-3-phosphoethanolamineME475318----
Glycerol 3-phosphatesn-Glycero-3-phosphateME475319----
PhosphoethanolaminePhosphoethanolamineME475320----
Dodecanoic acidLauric acidME475321----
Tetradecanoic acidMyristic acidME475322----
Hexadecanoic acidPalmitic acidME475323----
Octadecanoic acidStearic acidME475324----
Tetradecenoic acidTetradecenoic acidME475325----
Octadecenoic acidOctadecenoic acidME475326----
Octadecadienoic acidOctadecadienoic acidME475327----
Octadecatrienoic acidOctadecatrienoic acidME475328----
Eicosatetraenoic acidEicosatetraenoic acidME475329----
Eicosapentaenoic acidEicosapentaenoic acidME475330----
Docosahexaenoic acidDocosahexaenoic acidME475331----
3-Phospho-D-glyceroyl phosphate3-Phospho-D-glyceroyl dihydrogen phosphateME475332----


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