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Analysis: Reversed phase POSITIVE ION MODE (View original submitter results)

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
10-FormyltetrahydrofolateN10-Formyl-THFME156886-C00234--
1-4-beta-D-Xylan-ME156900-C02352--
1-(5Z_8Z_11Z_14Z-eicosatetraenoyl)-sn-glycero-3-ph...-ME156945----
1-hexadecanoyl-sn-glycero-3-phosphoethanolamineLPE 16:0ME156944----
1-octadecanoyl-sn-glycero-3-phosphoethanolamineLPE 18:0/0:0ME156943----
21-Hydroxypregnenolone21-HydroxypregnenoloneME156937-C05485--
2--3--Cyclic CMP2',3' cyclic CMPME156855-C02354--
2-(5Z_8Z_11Z_14Z-eicosatetraenoyl)-sn-glycero-3-ph...-ME156947----
2-Methyleneglutarate-ME156950-C02930--
2-Oxo-7-methylthioheptanoic acid2-Oxo-7-methylthioheptanoic acidME156969-C17220--
2-tetradecanoyl-sn-glycero-3-phosphocholineLPC 14:0ME156946----
3alpha-7alpha-12alpha-Trihydroxy-5beta-cholanateCholic acidME156932-C00695--
3-Methyleneoxindole3-MethyleneoxindoleME156919-C02796--
4-Acetamidobutanoate4-Acetamidobutanoic acidME156906-C02946--
4-Aminobenzoatep-Aminobenzoic acidME156951-C00568--
5-10-Methenyltetrahydrofolate5,10-Methenyl-THFME156888-C00445--
5-Hydroxyindoleacetate5-Hydroxyindoleacetic acidME156918-C05635--
5-Hydroxyisourate5-Hydroxyisouric acidME156851-C11821--
(5-L-Glutamyl)-L-glutaminegamma-GlutamylglutamineME156875-C05283--
(5-L-Glutamyl)-peptide-ME156874-C03193--
5-L-Glutamyl-taurine5-L-Glutamyl-taurineME156876-C05844--
5-OxoprolinePyroglutamic acidME156868-C01879--
5--Phosphoribosyl-N-formylglycinamideFGARME156853-C04376--
AdenineAdenineME156859-C00147--
AdenosineAdenosineME156860-C00212--
Adenylyl sulfateAdenosine phosphosulfateME156852-C00224--
alanineAlanineME156823-C00041--
AllantoateAllantoic acidME156849-C00499--
alpha-D-Glucosamine 1-phosphateGlucosamine 1-phosphateME156897-C06156--
alpha-N-Peptidyl-L-glutamate-ME156963-C03904--
AMPAMPME156845-C00020--
arginineArginineME156824-C00062--
asparagineAsparagineME156825-C00152--
aspartateAspartic acidME156826-C00049--
Catecholamine-ME156960-C02012--
cis-p-Coumarate-ME156952-C06738--
CreatineCreatineME156904-C00300--
CreatinineCreatinineME156905-C00791--
Cys-GlyCys-GlyME156917-C01419--
CystathionineCystathionineME156878-C00542--
cysteineCysteineME156827-C00097--
cystineCystineME156843-C00491--
CytidineCytidineME156854-C00475--
Decanoic acid (caprate)Capric acidME156928-C01571--
DethiobiotinDethiobiotinME156955-C01909--
D-GlucosamineGlucosamineME156898-C00329--
DihydrofolateDihydrofolic acidME156887-C00415--
D-O-Phosphoserine-ME156880-C02532--
D-Ribitol 5-phosphateD-Ribitol 5-phosphateME156961-C01068--
EctoineEctoineME156921-C06231--
FolateFolic acidME156884-C00504--
gamma-Glutamyl-gamma-aminobutyrate4-(Glutamylamino) butanoateME156873-C15767--
gamma-Glutamyl-Se-methylselenocysteinegamma-Glutamyl-Se-methylselenocysteineME156871-C05695--
gamma-L-Glutamyl-D-alaninegamma-L-Glutamyl-D-alanineME156872-C03738--
gamma-L-Glutamyl-L-cysteinegamma-GlutamylcysteineME156870-C00669--
gamma-L-Glutamylputrescinegamma-GlutamylputrescineME156901-C15699--
glutamateGlutamic acidME156828-C00025--
glutamineGlutamineME156829-C00064--
GlutathioneGlutathioneME156866-C00051--
Glutathione disulfideOxidized glutathioneME156867-C00127--
glycineGlycineME156830-C00037--
GlycochenodeoxycholateGlycochenodeoxycholic acidME156936-C05466--
GlycocholateGlycocholic acidME156933-C01921--
GlycodeoxycholateGlycodeoxycholic acidME156935-C05464--
GuanidinoacetateGuanidoacetic acidME156910-C00581--
GuanineGuanineME156848-C00242--
GuanosineGuanosineME156861-C00387--
Heptanoic acidHeptylic acidME156925-C17714--
histidineHistidineME156831-C00135--
HomocarnosineHomocarnosineME156902-C00884--
HomomethionineHomomethionineME156971-C17213--
Hydroxyacetone phosphateHydroxyacetone phosphateME156967-C03505--
hydroxy-dodecanedioic acidHydroxydodecanedioic acidME156931----
HypotaurineHypotaurineME156914-C00519--
HypoxanthineHypoxanthineME156846-C00262--
Icosatetraenoic acidEicosatetraenoic acidME156930-C00219--
IndoleIndoleME156920-C00463--
InosineInosineME156862-C00294--
isoleucineIsoleucineME156833-C00407--
kynurenineKynurenineME156844-C00328--
L-2-Aminoadipatealpha-Aminoadipic acidME156956-C00956--
L-ArabinoseLyxoseME156899-C00259--
L-CarnitineCarnitineME156922-C00318--
L-CitrullineCitrullineME156890-C00327--
leucineLeucineME156832-C00123--
L-HomocitrullineHomocitrullineME156970-C02427--
L-HomocysteineHomocysteineME156877-C00155--
L-Methionine S-oxideMethionine sulfoxideME156916-C02989--
L-NoradrenalineNorepinephrineME156965-C00547--
L-SelenomethionineSelenomethionineME156915-C05335--
lysineLysineME156834-C00047--
MaleamateMaleamic acidME156958-C01596--
methionineMethionineME156835-C00073--
N-(11Z-eicosaenoyl)-ethanolamine11Z-Eicosaenoyl-EAME156942----
N5-Methyl-L-glutamineN(5)-Methyl-glutamineME156949-C03153--
N6-Methyl-L-lysineN(6)-MethyllysineME156954-C02728--
N-(9Z-hexadecenoyl)-ethanolaminePalmitoleoyl-EAME156941----
N-Acetyl-L-citrullineN-AcetylcitrullineME156907-C15532--
N-AcetylmethionineN-AcetylmethionineME156964-C02712--
N-AcetylneuraminateN-Acetylneuraminic acidME156896-C00270--
N-AcetylornithineN-AcetylornithineME156908-C00437--
N-Acyl-D-mannosaminolactone-ME156953-C03792--
NAD+NADME156864-C00003--
NADHNADHME156865-C00004--
N-Carbamyl-L-glutamateCarglumic acidME156968-C05829--
NicotinamideNiacinamideME156858-C00153--
N-(L-Arginino)succinateArgininosuccinic acidME156891-C03406--
N-N-DimethylglycineDimethylglycineME156879-C01026--
Nonanoic acid (pelargonate)Pelargonic acidME156927-C01601--
N-(Pentadecanoyl)-ethanolaminePentadecanoyl-EAME156940----
N-Succinyl-L-citrullineN(2)-Succinyl-citrullineME156909-C18048--
N-(Tetradecanoyl)-ethanolamineMyristoyl-EAME156939----
O-ButanoylcarnitineCAR 4:0ME156924-C02862--
Octanoic acid (caprylate)Caprylic acidME156926-C06423--
O-PropanoylcarnitineCAR 3:0ME156923-C03017--
OrnithineOrnithineME156889-C01602--
PantothenolPantothenolME156912-C00864--
phenylalaninePhenylalanineME156836-C00079--
PhosphocreatinePhosphocreatineME156903-C02305--
PregnenolonePregnenoloneME156938-C01953--
prolineProlineME156837-C00148--
Protein glutamine-ME156966-C02583--
PutrescinePutrescineME156893-C00134--
PyridoxalPyridoxalME156856-C00250--
Pyridoxamine phosphatePyridoxamine 5'-phosphateME156857-C00647--
RiboflavinRiboflavinME156962-C00255--
S-Adenosyl-L-homocysteineS-AdenosylhomocysteineME156881-C00021--
S-Adenosyl-L-methionineS-AdenosylmethionineME156882-C00019--
(S)(+)-AllantoinAllantoinME156850-C02350--
SarcosineSarcosineME156883-C00213--
serineSerineME156838-C00065--
S-Glutathionyl-L-cysteineS-Glutathionyl-cysteineME156869-C05526--
SpermidineSpermidineME156894-C00315--
SpermineSpermineME156895-C00750--
S-Ribosyl-L-homocysteineS-RibosylhomocysteineME156959-C03539--
TaurineTaurineME156913-C00245--
TaurocholateTaurocholic acidME156934-C05122--
Tetradecenoic acidTetradecenoic acidME156929-C08322--
TetrahydrofolateTHFME156885-C00101--
ThreonateThreonic acidME156957-C01620--
threonineThreonineME156839-C00188--
trans-4-Hydroxy-L-prolinetrans-4-HydroxyprolineME156911-C01157--
TriacanthineTriacanthineME156948-C08435--
tryptophanTryptophanME156840-C00078--
tyrosineTyrosineME156841-C00082--
UracilUracilME156863-C00106--
UrateUric acidME156892-C00366--
valineValineME156842-C00183--
XanthineXanthineME156847-C00385--


Analysis: Reversed phase NEGATIVE ION MODE (View original submitter results)

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
2-Oxoglutarate2-Oxoglutaric acidME156982-C00026--
3-Phospho-D-erythronate-ME157006-C03356--
3-PhosphonooxypyruvatePhosphohydroxypyruvic acidME156995-C03232--
3-Sulfino-L-alanine3-Sulfino-alanineME156996-C00606--
3-Sulfocatechol3-SulfocatecholME156997-C06336--
4-Pyridoxate4-Pyridoxic acidME156973-C00847--
5-Phospho-alpha-D-ribose 1-diphosphatePhosphoribosyl pyrophosphateME156992-C00119--
6-Phospho-D-gluconate6-Phosphogluconic acidME156987-C00345--
AcetoacetateAcetoacetic acidME157002-C00164--
ADPADPME156972-C00008--
alpha-D-Ribose 1-phosphateRibose 1-phosphateME156991-C00620--
alpha-N-Peptidyl-L-glutamine-ME157009-C03905--
AscorbateVitamin CME156993-C00072--
Butanoic acidButyric acidME157003-C00246--
CatechinCatechinME157007-C17590--
D-Alanyl-alanyl-poly(glycerolphosphate)-ME157008-C04457--
DehydroascorbateDehydroascorbic acidME156994-C05422--
D-Erythrose 4-phosphateErythrose 4-phosphateME156989-C00279--
D-Fructose 1-6-bisphosphateFructose 1,6-bisphosphateME156978-C00354--
D-Glucono-1-5-lactone 6-phosphate6-Phosphonoglucono-D-lactoneME156988-C01236--
D-GlucoseGlucoseME156976-C00031--
D-Glucose 6-phosphateGlucose 6-phosphateME156977-C02965--
D-Glyceraldehyde 3-phosphate/Glycerone phosphateGlyceraldehyde 3-phosphateME156979-C00118--
DiphosphatePyrophosphateME156975-C00013--
Ethanolamine phosphatePhosphoethanolamineME156999-C00346--
FumarateFumaric acidME156984-C00122--
LactateLactic acidME156981-C01432--
MalateMalic acidME156985-C00149--
Muramic acidMuramic acidME157005-C06470--
N-Amidino-L-aspartateGuanidinosuccinic acidME157011-C03139--
N-Methylethanolamine phosphateN-Methylethanolamine phosphateME157000-C01210--
OrthophosphatePhosphoric acidME156974-C00009--
OxaloacetateOxaloacetic acidME156986-C00036--
OxalosuccinateOxalosuccinic acidME157013-C05379--
Peptide tryptophan-ME157004-C02732--
PyruvatePyruvic acidME156980-C00022--
S-Acylglutathione-ME157010-C02589--
Sedoheptulose 7-phosphateSedoheptulose 7-phosphateME156990-C05382--
sn-glycero-3-Phosphoethanolaminesn-Glycero-3-phosphoethanolamineME157001-C01233--
sn-Glycerol 3-phosphatesn-Glycero-3-phosphateME156998-C00093--
SuccinateSuccinic acidME156983-C00042--
threo-3-Hydroxy-L-aspartate3-Hydroxyaspartic acidME157012-C11511--


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