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Analysis: HILIC POSITIVE ION MODE

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
1-Aminocyclopropanecarboxylic acid1-Aminocyclopropanecarboxylic acidME253411----
Ketobutyric acid-ME253412----
CadaverineCadaverineME253413----
SerineSerineME253414----
BenzylamineBenzylamineME253415----
HypotaurineHypotaurineME253416----
CytosineCytosineME253417----
HistamineHistamineME253418----
UracilUracilME253419----
CreatinineCreatinineME253420----
DihydrouracilDihydrouracilME253421----
ProlineProlineME253422----
AcetylglycineN-AcetylglycineME253423----
Guanidoacetic acidGuanidoacetic acidME253424----
IndoleIndoleME253425----
NiacinamideNiacinamideME253426----
TaurineTaurineME253427----
MethylhistamineMethylhistamineME253428----
Pipecolic acidPipecolic acidME253429----
CreatineCreatineME253430----
OrnithineOrnithineME253431----
Aspartic acidAspartic acidME253432----
HomocysteineHomocysteineME253433----
HypoxanthineHypoxanthineME253434----
Urocanic acidUrocanic acidME253435----
GlutamineGlutamineME253436----
LysineLysineME253437----
Glutamic acidGlutamic acidME253438----
MethionineMethionineME253439----
3-Sulfinoalanine3-Sulfino-alanineME253440----
3-Hydroxyanthranilic acid3-Hydroxyanthranilic acidME253441----
HistidineHistidineME253442----
AllantoinAllantoinME253443----
CarnitineCarnitineME253444----
5-Hydroxylysine5-HydroxylysineME253445----
NicotineNicotineME253446----
PhenylalaninePhenylalanineME253447----
PyridoxalPyridoxalME253448----
Uric acidUric acidME253449----
MethylhistidineMethylhistidineME253450----
Quinaldic acidQuinaldic acidME253451----
Indoleacetic acidIndoleacetic acidME253452----
CitrullineCitrullineME253453----
SerotoninSerotoninME253454----
Hippuric acidHippuric acidME253455----
SalsolinolSalsolinolME253456----
TyrosineTyrosineME253457----
4-Pyridoxic acid4-Pyridoxic acidME253458----
N-Alpha-acetyllysineN(2)-AcetyllysineME253459----
Kynurenic acidKynurenic acidME253460----
Indole-3-methyl acetateIndole-3-methyl acetateME253461----
5-Hydroxyindoleacetic acid5-Hydroxyindoleacetic acidME253462----
N-Acetyl-L-methionineN-AcetylmethionineME253463----
CaffeineCaffeineME253464----
AcetylcarnitineCAR 2:0ME253465----
TryptophanTryptophanME253466----
N-Acetyl-L-phenylalanineN-AcetylphenylalanineME253467----
KynurenineKynurenineME253468----
N-AcetylserotoninN-AcetylserotoninME253469----
Pantothenic acidPantothenic acidME253470----
5-Hydroxy-L-tryptophan5-Hydroxy-tryptophanME253471----
CystathionineCystathionineME253472----
Methyl jasmonateMethyl jasmonateME253473----
CystineCystineME253474----
UridineUridineME253475----
Palmitoleic acidPalmitoleic acidME253476----
Glycerophosphocholinesn-Glycero-3-phosphocholineME253477----
AdenosineAdenosineME253478----
InosineInosineME253479----
Gamma-Linolenic acidgamma-Linolenic acidME253480----
Linoleic acidLinoleic acidME253481----
1-Methyladenosine1-MethyladenosineME253482----
Oleic acidOleic acidME253483----
retinoic acidRetinoic acidME253484----
SphinganineSphinganineME253485----
Cytidine 23-cyclic phosphate2',3' cyclic CMPME253486----
DodecanoylcarnitineCAR 12:0ME253487----
Cortexolone11-DeoxycortisolME253488----
CortisolCortisolME253489----
Cholic acidCholic acidME253490----
Glycocholic acidGlycocholic acidME253491----
BiliverdinBiliverdinME253492----
BilirubinBilirubinME253493----
StachyoseStachyoseME253494----
PalmitoylcarnitineCAR 16:0ME253495----


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
Oxalic acidOxalic acidME253496----
Ketobutyric acid-ME253497----
SerineSerineME253498----
Glyceric acidGlyceric acidME253499----
CreatinineCreatinineME253500----
ProlineProlineME253501----
Ureidopropionic acidUreidopropionic acidME253502----
Malic acidMalic acidME253503----
Phenylacetic acidPhenylacetic acidME253504----
Hydroxynicotinic acidHydroxynicotinic acidME253505----
Caprylic acidCaprylic acidME253506----
Oxoglutaric acid2-Oxoglutaric acidME253507----
GlutamineGlutamineME253508----
LysineLysineME253509----
Glutamic acidGlutamic acidME253510----
Cinnamic acidtrans-Cinnamic acidME253511----
MethionineMethionineME253512----
XanthineXanthineME253513----
HistidineHistidineME253514----
Pelargonic acidPelargonic acidME253515----
IndoleacetaldehydeIndoleacetaldehydeME253516----
Aminoadipic acidAminoadipic acidME253517----
3-Hydroxymethylglutaric acid3-Hydroxymethylglutaric acidME253518----
PhenylalaninePhenylalanineME253519----
Uric acidUric acidME253520----
Homogentisic acidHomogentisic acidME253521----
N-AcetylasparagineN-AcetylasparagineME253522----
N-Acetyl-L-aspartic acidN-Acetylaspartic acidME253523----
Indoleacetic acidIndoleacetic acidME253524----
CitrullineCitrullineME253525----
Hippuric acidHippuric acidME253526----
TyrosineTyrosineME253527----
N-Acetylglutamic acidN-Acetylglutamic acidME253528----
5-Hydroxyindoleacetic acid5-Hydroxyindoleacetic acidME253529----
Quinic acidQuinic acidME253530----
Ferulic acidtrans-Ferulic acidME253531----
Dodecanoic acidLauric acidME253532----
TryptophanTryptophanME253533----
Myristic acidMyristic acidME253534----
D-Ribose 5-phosphateRibose 5-phosphateME253535----
CystineCystineME253536----
UridineUridineME253537----
Palmitoleic acidPalmitoleic acidME253538----
Palmitic acidPalmitic acidME253539----
Heptadecanoic acidMargaric acidME253540----
Gamma-Linolenic acidgamma-Linolenic acidME253541----
Linoleic acidLinoleic acidME253542----
Stearic acidStearic acidME253543----
retinoic acidRetinoic acidME253544----
N-Acetylneuraminic acidN-Acetylneuraminic acidME253545----
Arachidic acidArachidic acidME253546----
Docosahexaenoic acidDocosahexaenoic acidME253547----
Leukotriene B4LTB4ME253548----
CortisolCortisolME253549----
Cholic acidCholic acidME253550----
Glycocholic acidGlycocholic acidME253551----
ThyroxineThyroxineME253552----
Lactic acidLactic acidME253553----


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