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Analysis: Other NEGATIVE ION MODE

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
10-Camphorsulfonic acid (IS)-ME529333----
2,3-BPG2,3-Diphosphoglyceric acidME529416----
2-Dehydrogluconate-ME529417----
2-Ethylhexanoic acidalpha-Ethylcaproic acidME529382----
2-Hydroxy glutaric acid2-Hydroxyglutaric acidME529389----
2-Hydroxyisobutyric acid2-Hydroxyisobutyric acidME529375----
2-Hydroxyisovaleric acid2-Hydroxy-3-methylbutyric acidME529378----
2KG-ME529335----
2-Methyl-3-Hydroxybutyric acid2-Methyl-3-hydroxybutyric acidME529387----
2-Methylhippuric acid2-Methylhippuric acidME529429----
2-Propylglutaric acid2-Propylglutaric acidME529388----
3-Hydroxybutyric acid3-Hydroxybutyric acidME529336----
3-Hydroxymethylglutaric acid3-Hydroxymethylglutaric acidME529392----
3-Hydroxypropionic acidHydroxypropionic acidME529377----
6PG6-Phosphogluconic acidME529337----
Acetyl-Gly-ME529397----
ADPADPME529338----
ADP-Glc-ME529339----
ADP-RibADP-riboseME529340----
AICARP-ME529425----
Allantoic acidAllantoic acidME529406----
AllantoinAllantoinME529403----
AMPAMPME529341----
ArabinoseArabinoseME529408----
ArabitolArabitolME529409----
ATPATPME529342----
Beta-LactoseLactoseME529410----
CDPCDPME529343----
cis-Aco-ME529344----
CitCitric acidME529345----
CoACoenzyme AME529346----
Creatine phosphatePhosphocreatineME529421----
CTPCTPME529347----
Cysteic acidCysteic acidME529432----
Cysteinesulfinic acid3-Sulfino-alanineME529431----
F1PFructose 1-phosphateME529384----
F6PFructose 6-phosphateME529349----
FADFADME529356----
FBPFructose 1,6-bisphosphateME529348----
FumFumaric acidME529357----
G1PGlucose 1-phosphateME529351----
G6PGlucose 6-phosphateME529352----
Ga1P-ME529385----
GDPGDPME529358----
GDP-Man-ME529428----
Glucaric acidGlucaric acidME529386----
Gluconic acidGluconic acidME529350----
Glucosamine 1PGlucosamine 1-phosphateME529427----
GlucoseGlucoseME529393----
Glucuronic acidGlucuronic acidME529353----
Glutaric acidGlutaric acidME529379----
GMPGMPME529359----
GTPGTPME529360----
Hippuric acidHippuric acidME529380----
Homocysteic acidHomocysteic acidME529430----
IMPIMPME529361----
IsoCit-ME529362----
IsovalerylGly-ME529399----
M6P-ME529391----
MalMalic acidME529363----
MaltotetraoseMaltotetraoseME529423----
N-Acetyl-Ala-ME529405----
N-Acetyl-Asn-ME529411----
N-Acetyl-Asp-ME529401----
N-Acetyl-galactosamineN-Acetyl-D-galactosamineME529426----
N-Acetyl-Gln-ME529407----
N-Acetyl-GluN-Acetyl-D-glucosamineME529420----
N-Acetyl-glucosamine-1P-ME529419----
N-Acetyl-glucosamine-6PN-Acetyl-glucosamine 6-phosphateME529433----
N-Acetyl-Leu-ME529402----
NADNAD+ME529364----
NADPHNADPHME529365----
N-Carbamoyl-Asp-ME529422----
O-Acetyl-homoSer-ME529396----
Oxalic acidOxalic acidME529376----
PantothenatePantothenic acidME529412----
PEPPhosphoenolpyruvic acidME529366----
PIPES (IS)-ME529334----
PropionylGly-ME529398----
PRPPPhosphoribosyl pyrophosphateME529367----
PyrPyruvic acidME529368----
Pyridoxal-5PPyridoxal 5'-phosphateME529418----
PyroGlu-ME529400----
Quinolinic acidQuinolinic acidME529381----
R5PRibose 5-phosphateME529354----
S7PSedoheptulose 7-phosphateME529355----
Sorbitol-6P-ME529413----
SucSuccinic acidME529369----
Succinyl AMP-ME529424----
TaurineTaurineME529404----
ThPPThiamine diphosphateME529370----
Threonic acidThreonic acidME529383----
UDPUDPME529371----
UDP-Galac-ME529390----
UDP-GlcUDP-glucoseME529372----
UDP-glucuronateUDP-glucuronic acidME529414----
UDP-N-acetyl-glucosamineUDP-N-acetylglucosamineME529415----
UMPUMPME529373----
UracilUracilME529394----
UridineUridineME529395----
UTPUTPME529374----


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
10-Camphorsulfonic acid (IS)-ME529434----
1-Methyl-His-ME529502----
2-py-ME529521----
3-Hydroxyanthranilic acid3-Hydroxyanthranilic acidME529514----
4-Hydroxy-Pro-ME529453----
4-py-ME529522----
5-Hydroxy-Lys-ME529484----
AcetylcarnitineCAR 2:0ME529504----
AdenineAdenineME529438----
AdenosineAdenosineME529439----
AlaAlanineME529455----
ArgArginineME529456----
ArgininosuccinateArgininosuccinic acidME529500----
AsnAsparagineME529457----
AspAspartic acidME529458----
Beta-Alabeta-AlanineME529440----
Beta-Glu-ME529491----
BetaineBetaineME529441----
Bicine-ME529516----
CarnitineCarnitineME529442----
CarnosineCarnosineME529443----
CholineCholineME529444----
CitrullineCitrullineME529459----
CreatineCreatineME529445----
CreatinineCreatinineME529446----
CysCysteineME529460----
CytidineCytidineME529447----
CytosineCytosineME529448----
DeoxycytidineDeoxycytidineME529487----
DMG-ME529475----
GABAgamma-Aminobutyric acidME529449----
Gamma-Glu-Cysgamma-GlutamylcysteineME529483----
Gamma-Glunolactone-ME529497----
GlnGlutamineME529462----
GluGlutamic acidME529461----
GlyGlycineME529450----
GlyceraldehydeGlyceraldehydeME529492----
Glycerophosphocholinesn-Glycero-3-phosphocholineME529508----
Gly-GlyGly-GlyME529515----
GSHGlutathioneME529477----
GSSGOxidized glutathioneME529476----
GuanineGuanineME529451----
GuanosineGuanosineME529452----
HisHistidineME529463----
HistamineHistamineME529485----
HomocitrullineHomocitrullineME529507----
HomoSerHomoserineME529464----
HypotaurineHypotaurineME529493----
HypoxanthineHypoxanthineME529454----
IleIsoleucineME529465----
InosineInosineME529494----
Kynurenic acidKynurenic acidME529505----
KynurenineKynurenineME529488----
L-AnserineAnserineME529512----
L-CystathionineCystathionineME529482----
LeuLeucineME529466----
LysLysineME529467----
MetMethionineME529468----
MNAM-ME529518----
MSO-ME529495----
N-Acetyl-Lys-ME529513----
N-Acetyl-ornithineN-AcetylornithineME529510----
NADNAD+ME529436----
NAMNiacinamideME529519----
NAM ribose-ME529520----
N-FormylkynurenineN-Formyl-L-kynurenineME529523----
NMNNicotinamide ribotideME529498----
O-PhosphoethanolaminePhosphoethanolamineME529517----
OrnOrnithineME529469----
PhePhenylalanineME529470----
PhosphocholineCholine phosphateME529490----
PIPES (IS)-ME529435----
ProProlineME529471----
PyridoxalPyridoxalME529506----
PyridoxaminePyridoxamineME529501----
SaccharopineSaccharopineME529511----
SAHS-AdenosylhomocysteineME529478----
SAMS-AdenosylmethionineME529479----
SucSuccinic acidME529437----
Succinic anhydrideSuccinic anhydrideME529496----
TrigonellineTrigonellineME529489----
Trimethyl-Lys-ME529499----
TrpTryptophanME529472----
TyrTyrosineME529473----
UracilUracilME529480----
UridineUridineME529481----
ValValineME529474----
XanthineXanthineME529486----
XanthosineXanthosineME529503----
Xanthurenic acidXanthurenic acidME529509----


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