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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
4-Acetamidobutanoate4-Acetamidobutanoic acidME472426----
5-6-DihydrothymineDihydrothymineME472403----
5-Hydroxyindoleacetate5-Hydroxyindoleacetic acidME472431----
5-Hydroxyisourate5-Hydroxyisouric acidME472402----
(5-L-Glutamyl)-L-glutaminegamma-GlutamylglutamineME472412----
6-Hydroxykynurenic acid6-Hydroxykynurenic acidME472436----
6-Phospho-D-gluconate6-Phosphogluconic acidME472406----
acetyl-carnitine (acyl-C2)CAR 2:0ME472448----
AcetylcholineAcetylcholineME472445----
acyl-C18:2 (Linoleoyl-CoA)Linoleoyl-CoAME472466----
acyl-C18:2-OHCAR 18:2;OHME472467----
acyl-C20:4CAR 20:4ME472468----
acyl-C4-DCCAR DC4:0ME472452----
acyl-C4-OHCAR 4:0;OHME472451----
acyl-C5-OHCAR 5:0;OHME472453----
acyl-C6-DCCAR DC6:0ME472455----
AdenineAdenineME472394----
AdenosineAdenosineME472393----
AllantoateAllantoic acidME472401----
ArgininosuccinateArgininosuccinic acidME472420----
butanoyl-l-carnitine (acyl-C4)CAR 4:0ME472450----
CarnosineCarnosineME472423----
CholineCholineME472446----
CreatineCreatineME472424----
CreatinineCreatinineME472425----
Cys-GlyCys-GlyME472407----
CytidineCytidineME472397----
CytosineCytosineME472398----
dCMPdCMPME472396----
DimethylglycineDimethylglycineME472414----
DopamineDopamineME472440----
EctoineEctoineME472442----
gamma-Glutamyl-gamma-aminobutyrate4-(Glutamylamino) butanoateME472410----
gamma-Glutamyl-Se-methylselenocysteinegamma-Glutamyl-Se-methylselenocysteineME472408----
gamma-L-Glutamyl-D-alaninegamma-L-Glutamyl-D-alanineME472409----
gamma-L-Glutamylputrescinegamma-GlutamylputrescineME472411----
glycineGlycineME472380----
g-Oxalo-crotonate4-Oxalocrotonic acidME472439----
GuanidinoacetateGuanidoacetic acidME472428----
GuanineGuanineME472395----
Hexadecenoyl-carnitine (acyl-C16:1)CAR 16:1ME472464----
hexanoyl-L-carnitine (acyl-C6)CAR 6:0ME472454----
HypotaurineHypotaurineME472429----
HypoxanthineHypoxanthineME472399----
IndoleIndoleME472432----
Indole-3-acetaldehydeIndoleacetaldehydeME472433----
Indole-3-acetateIndoleacetic acidME472434----
IndoxylIndoxylME472435----
Inositol 1-2-3-5-6-pentakisphosphate-ME472443----
L-alanineAlanineME472373----
L-arginineArginineME472374----
L-asparagineAsparagineME472375----
L-aspartateAspartic acidME472376----
L-CarnitineCarnitineME472447----
L-CitrullineCitrullineME472419----
L-cysteineCysteineME472377----
L-cystineCystineME472392----
L-glutamateGlutamic acidME472378----
L-glutamineGlutamineME472379----
L-histidineHistidineME472381----
L-HomocysteineHomocysteineME472413----
L-leucine/isoleucineLeucine/IsoleucineME472382----
L-lysineLysineME472383----
L-methionineMethionineME472384----
L-Methionine S-oxideMethionine sulfoxideME472430----
L-octanoylcarnitine (acyl-C8)CAR 8:0ME472456----
L-Palmitoylcarnitine (acyl-C16)CAR 16:0ME472463----
L-phenylalaninePhenylalanineME472385----
L-prolineProlineME472386----
L-serineSerineME472387----
L-threonineThreonineME472388----
L-tryptophanTryptophanME472389----
L-tyrosineTyrosineME472390----
L-valineValineME472391----
N-AcetylornithineN-AcetylornithineME472427----
NAD+NAD+ME472405----
N-formyl kynurenineN-Formyl-L-kynurenineME472437----
NicotinamideNiacinamideME472404----
octenoyl-l-carnitine (acyl-C8:1)-ME472457----
O-Decenoyl-L-carnitine (acyl-C10:1)-ME472458----
O-dodecanoyl-carnitine (acyl-C12)CAR 12:0ME472459----
O-dodecenoyl-carnitine (acyl-C12:1)CAR 12:1ME472460----
O-octadecenoyl-L-carnitine (acyl-C18:1)CAR 18:1ME472465----
OrnithineOrnithineME472418----
O-tetradecanoyl-L-carnitine (acyl-C14)CAR 14:0ME472461----
PhosphoserinePhosphoserineME472415----
Picolinic acidPicolinic acidME472438----
propionyl-carnitine (acyl-C3)CAR 3:0ME472449----
PutrescinePutrescineME472421----
S-Adenosyl-L-homocysteineS-AdenosylhomocysteineME472416----
S-Adenosyl-L-methionineS-AdenosylmethionineME472417----
SerotoninSerotoninME472441----
SpermidineSpermidineME472422----
SphingosineSphingosineME472444----
Tetradecenoyl Carnitine (acyl-C14:1)CAR 14:1ME472462----
XanthineXanthineME472400----


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
1-4-beta-D-Xylan-ME472526----
2/3-Phospho-D-glycerate2-Phosphoglyceric acidME472495----
2-Hydroxyglutarate/Citramalate2-Hydroxyglutaric acidME472509----
2-Oxoglutaramate2-Keto-glutaramic acidME472504----
2-Oxoglutarate2-Oxoglutaric acidME472503----
3-PhosphonooxypyruvatePhosphohydroxypyruvic acidME472522----
3-Sulfino-L-alanine3-Sulfino-alanineME472533----
3-Sulfocatechol3-SulfocatecholME472535----
5-L-Glutamyl-taurine5-L-Glutamyl-taurineME472520----
5-OxoprolinePyroglutamic acidME472515----
(7Z-10Z-13Z-16Z-19Z)-Docosa-7-10-13-16-19-pentaeno...DPAME472560----
(8Z-11Z-14Z)-Icosatrienoic acidDihomo-gamma-linolenic acidME472559----
Adenylosuccinic acidAdenylsuccinic acidME472487----
ADPADPME472470----
ADP-D-riboseADP-riboseME472489----
Adrenic acid (7,10,13,16-Docosatetraenoic acid)Adrenic acidME472557----
a-Linolenic acid (Octadecatrienoic acid)Octadecatrienoic acidME472553----
alpha-D-Glucosamine 1-phosphateGlucosamine 1-phosphateME472525----
alpha-D-Ribose 1-phosphateRibose 1-phosphateME472512----
AMPAMPME472471----
Arachidonic acid (Eicosatetraenoic acid)Eicosatetraenoic acidME472554----
AscorbateVitamin CME472517----
ATPATPME472469----
BilirubinBilirubinME472561----
CDPCDPME472475----
CitrateCitric acidME472502----
CMPCMPME472476----
CMP-N-acetylneuraminateCMP-N-acetylneuraminic acidME472528----
CystathionineCystathionineME472521----
D-ArabitolArabitolME472501----
Decanoic acid (caprate)Capric acidME472545----
DehydroascorbateL-Dehydroascorbic acidME472518----
D-Erythrose 4-phosphateErythrose 4-phosphateME472510----
D-Fructose 1-6-bisphosphateFructose 1,6-bisphosphateME472494----
D-GlucoseGlucoseME472492----
D-Glucose 6/1-phosphateHexose 6-phosphateME472493----
DiphosphatePyrophosphateME472491----
Docosahexaenoic acidDocosahexaenoic acidME472556----
Dodecanoic acid (lauric acid)Lauric acidME472546----
D-RhamnoseRhamnoseME472500----
D-RiboseRiboseME472499----
dTMPdTMPME472477----
Eicosapentaenoic acidEicosapentaenoic acidME472558----
Ethanolamine phosphatePhosphoethanolamineME472540----
FumarateFumaric acidME472506----
gamma-L-Glutamyl-L-cysteinegamma-GlutamylcysteineME472519----
GDPGDPME472472----
GlutathioneGlutathioneME472513----
Glutathione disulfideOxidized glutathioneME472514----
Glycerol 3-phosphatesn-Glycero-3-phosphateME472539----
GMPGMPME472473----
GuanosineGuanosineME472474----
Heptanoic acidHeptylic acidME472542----
Hexadecanoic acid (palmitic acid)Palmitic acidME472548----
Hexadecenoic acid (Palmitoleic acid)Palmitoleic acidME472550----
IMPIMPME472483----
IndolepyruvateIndolepyruvateME472537----
InosineInosineME472484----
LactateLactic acidME472497----
Linoleic acid ((9Z,12Z)-Octadecadienoic acid)Linoleic acidME472552----
MalateMalic acidME472507----
Mannitol/SorbitolSorbitolME472498----
N-Acetyl-L-citrullineN-AcetylcitrullineME472530----
N-AcetylneuraminateN-Acetylneuraminic acidME472523----
N-Glycoloyl-neuraminateN-Glycoloylneuraminic acidME472524----
Nonanoic acid (pelargonate)Pelargonic acidME472544----
Octadecenoic acid (Oleic acid)Oleic acidME472551----
Octanoic acid (caprylate)Caprylic acidME472543----
OxaloacetateOxaloacetic acidME472508----
PhosphatePhosphoric acidME472490----
PhosphocreatinePhosphocreatineME472529----
PyruvatePyruvic acidME472496----
quinolinic acidQuinolinic acidME472538----
(R)-S-LactoylglutathioneS-LactoylglutathioneME472536----
(S)(+)-AllantoinAllantoinME472485----
Sedoheptulose 1/7-phosphate-ME472511----
S-Glutathionyl-L-cysteineS-Glutathionyl-cysteineME472516----
Sphingosine 1-phosphateSphingosine 1-phosphateME472541----
Stearidonic acid ((6Z,9Z,12Z,15Z)-Octadecatetraeno...Stearidonic acidME472555----
SuccinateSuccinic acidME472505----
TaurineTaurineME472532----
Tetradecanoic acid (myristic acid)Myristic acidME472547----
Tetradecenoic acid (myristoleic acid)Myristoleic acidME472549----
Thiosulfate-ME472534----
ThymidineThymidineME472478----
trans-4-Hydroxy-L-prolinetrans-4-HydroxyprolineME472531----
UDPUDPME472480----
UDP-glucoseUDP-glucoseME472488----
UDP-N-acetyl-D-glucosamineUDP-N-acetylglucosamineME472527----
UMPUMPME472481----
UracilUracilME472482----
UrateUric acidME472486----
UTPUTPME472479----


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