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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
GlutamateGlutamic acidME402940-C00025-148.0605
AlanineAlanineME402925-C00041-90.0548
LysineLysineME402960-C00047-147.1127
AspartateAspartic acidME402929-C00049-134.0448
GlutathioneGlutathioneME402942-C00051-308.0901
ArginineArginineME402927-C00062-175.1190
GlutamineGlutamineME402941-C00064-147.0762
SerineSerineME402969-C00065-106.0498
MethionineMethionineME402961-C00073-150.0583
TryptophanTryptophanME402976-C00078-205.0972
PhenylalaninePhenylalanineME402965-C00079-166.0860
TyrosineTyrosineME402977-C00082-182.0808
CysteineCysteineME402935-C00097-122.0272
Anthranilate2-Aminobenzoic acidME402926-C00108-138.0547
CholineCholineME402931-C00114-104.1067
LeucineLeucineME402959-C00123-132.1016
Glutathione disulfideOxidized glutathioneME402943-C00127-613.1577
PutrescinePutrescineME402968-C00134-89.1073
HistidineHistidineME402948-C00135-156.0767
GMPGMPME402944-C00144-364.0651
AdenineAdenineME402924-C00147-136.0617
ProlineProlineME402967-C00148-116.0704
AsparagineAsparagineME402928-C00152-133.0605
NicotinamideNiacinamideME402963-C00153-123.0549
ValineValineME402978-C00183-118.0860
ThreonineThreonineME402975-C00188-120.0654
GuanineGuanineME402947-C00242-152.0564
HypoxanthineHypoxanthineME402949-C00262-137.0457
CreatineCreatineME402932-C00300-132.0765
SpermidineSpermidineME402971-C00315-146.1651
L-CarnitineCarnitineME402957-C00318-162.1123
L-CitrullineCitrullineME402958-C00327-176.1029
kynurenineKynurenineME402955-C00328-209.0918
XanthineXanthineME402979-C00385-153.0408
CarnosineCarnosineME402930-C00386-227.1152
IsoleucineIsoleucineME402954-C00407-132.1016
N-AcetylornithineN-AcetylornithineME402962-C00437-175.1075
IndoleIndoleME402950-C00463-118.0651
GuanidinoacetateGuanidoacetic acidME402946-C00581-118.0610
Indole-3-acetaldehydeIndoleacetaldehydeME402951-C00637-160.0757
gamma-L-Glutamyl-L-cysteinegamma-GlutamylcysteineME402939-C00669-251.0689
SpermineSpermineME402972-C00750-203.2227
L-AdrenalineEpinephrineME402956-C00788-184.0947
CreatinineCreatinineME402933-C00791-114.0662
Indole-3-acetateIndoleacetic acidME402952-C00954-176.0704
DimethylglycineDimethylglycineME402936-C01026-104.0704
Sphinganine 1-phosphateSphinganine 1-phosphateME402973-C01120-382.2707
Cys-GlyCys-GlyME402934-C01419-179.0485
OrnithineOrnithineME402964-C01602-133.0970
5-OxoprolinePyroglutamic acidME402921-C01879-130.0499
AcetylcholineAcetylcholineME402923-C01996-146.1173
3-Methyleneoxindole3-MethyleneoxindoleME402918-C02796-146.0600
g-Oxalo-crotonate4-Oxalocrotonic acidME402945-C03453-159.0275
gamma-L-Glutamyl-D-alaninegamma-L-Glutamyl-D-alanineME402938-C03738-219.0975
S-Glutathionyl-L-cysteineS-Glutathionyl-cysteineME402970-C05526-427.0940
5-Hydroxyindoleacetate5-Hydroxyindoleacetic acidME402919-C05635-192.0668
IndoxylIndoxylME402953-C05658-134.0599
Sphingosine 1-phosphateSphingosine 1-phosphateME402974-C06124-380.2548
6-Hydroxykynurenic acid6-Hydroxykynurenic acidME402922-C08480-206.0471
Picolinic acidPicolinic acidME402966-C10164-124.0409
5-Hydroxyisourate5-Hydroxyisouric acidME402920-C11821-185.0319
gamma-Glutamyl-gamma-aminobutyrate4-(Glutamylamino) butanoateME402937-C15767-233.1130


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
ATPATPME402980-C00002--
ADPADPME402981-C00008--
PhosphatePhosphoric acidME402995-C00009--
DiphosphatePyrophosphateME402996-C00013--
UDPUDPME402986-C00015--
AMPAMPME402982-C00020--
PyruvatePyruvic acidME403004-C00022--
2-Oxoglutarate2-Oxoglutaric acidME403012-C00026--
UDP-glucoseUDP-glucoseME402994-C00029--
D-GlucoseGlucoseME402997-C00031--
GDPGDPME402984-C00035--
SuccinateSuccinic acidME403014-C00042--
AscorbateVitamin CME403023-C00072--
PhosphoenolpyruvatePhosphoenolpyruvic acidME403003-C00074--
Glycerol 3-phosphatesn-Glycero-3-phosphateME403033-C00093--
IDPIDPME402989-C00104--
UMPUMPME402987-C00105--
UracilUracilME402988-C00106--
D-Glyceraldehyde 3-phosphate/Glycerone phosphateGlyceraldehyde 3-phosphateME403000-C00118--
5-Phospho-alpha-D-ribose 1-diphosphatePhosphoribosyl pyrophosphateME403022-C00119--
D-RiboseRiboseME403009-C00121--
FumarateFumaric acidME403015-C00122--
IMPIMPME402990-C00130--
MalateMalic acidME403016-C00149--
CitrateCitric acidME403011-C00158--
MaltoseMaltoseME403006-C00208--
1-3-Bisphosphoglycerate3-Phospho-D-glyceroyl dihydrogen phosphateME403001-C00236--
TaurineTaurineME403031-C00245--
L-ArabinoseLyxoseME403027-C00259--
N-AcetylneuraminateN-Acetylneuraminic acidME403025-C00270--
D-Erythrose 4-phosphateErythrose 4-phosphateME403019-C00279--
InosineInosineME402991-C00294--
6-Phospho-D-gluconate6-Phosphogluconic acidME403018-C00345--
Ethanolamine phosphatePhosphoethanolamineME403034-C00346--
D-Fructose 1-6-bisphosphateFructose 1,6-bisphosphateME402999-C00354--
dAMPdAMPME402983-C00360--
MannitolMannitolME403008-C00392--
CytidineCytidineME402985-C00475--
alpha-D-Ribose 1-phosphateRibose 1-phosphateME403021-C00620--
2/3-Phospho-D-glycerate2-Phosphoglyceric acidME403002-C00631--
4-Pyridoxate4-Pyridoxic acidME402993-C00847--
PantothenatePantothenic acidME403030-C00864--
5-6-DihydrothymineDihydrothymineME402992-C00906--
2-Oxoglutaramate2-Keto-glutaramic acidME403013-C00940--
trans-4-Hydroxy-L-prolinetrans-4-HydroxyprolineME403029-C01157--
LactateLactic acidME403005-C01432--
D-RhamnoseRhamnoseME403010-C01684--
MaltotrioseMaltotrioseME403007-C01835--
1-4-beta-D-Xylan-ME403028-C02352--
2-Hydroxyglutarate/Citramalate2-Hydroxyglutaric acidME403017-C02630--
Hexose phosphateHexose 6-phosphateME402998-C02965--
(R)-S-LactoylglutathioneS-LactoylglutathioneME403032-C03451--
DehydroascorbateL-Dehydroascorbic acidME403024-C05422--
alpha-D-Glucosamine 1-phosphateGlucosamine 1-phosphateME403026-C06156--
Sedoheptulose 1-phosphateSedoheptulose 1-phosphateME403020-C06222--


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