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Analysis: Other POSITIVE ION MODE

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
1,3-Diaminopropane1,3-DiaminopropaneME292705-C00986--
1-Aminocyclopropane-1-carboxylate1-Aminocyclopropanecarboxylic acidME292701-C01234--
1-Methyladenosine1-MethyladenosineME292702-C02494--
1-Methylhistamine1-MethylhistamineME292703-C05127--
1-Methylnicotinamide1-Methyl nicotinamideME292704-C02918--
2,4-Diaminobutyrate2,4-Diaminobutyric acidME292707-C03283--
2AB2S-Aminobutyric acidME292710-C02356--
2'-DeoxycytidineDeoxycytidineME292708-C00881--
2'-DeoxyguanosineDeoxyguanosineME292709-C00330--
2-Hydroxypentanoate2-Hydroxyvaleric acidME292706----
3-Aminoisobutyrate3-Aminoisobutanoic acidME292711-C05145--
3-Aminopropane-1,2-diol(S)-3-Amino-1,2-propanediolME292712-C06057--
3-Hydroxyanthranilate3-Hydroxyanthranilic acidME292713-C00632--
3-Indoxyl sulfateIndoxyl sulfateME292714----
3-Methylhistidine3-MethylhistidineME292715-C01152--
4-(beta-Acetylaminoethyl)imidazoleN-AcetylhistamineME292716-C05135--
4-HydroxymethylimidazoleImidazole-4-methanolME292717-C05562--
5-Aminolevulinate5-Amino-levulinic acidME292718-C00430--
5-Aminovalerate5-Aminopentanoic acidME292719-C00431--
5-Hydroxyindoleacetate5-Hydroxyindoleacetic acidME292720-C05635--
5-Hydroxylysine5-HydroxylysineME292721-C16741--
5-Methylcytosine5-MethylcytosineME292722-C02376--
5-Methylthioadenosine5'-MethylthioadenosineME292723-C00170--
6-AminohexanoateAminocaproic acidME292724-C02378--
7,8-Dihydrobiopterin7,8-DihydrobiopterinME292726-C02953--
7-Methylguanine7-MethylguanineME292725-C02242--
AcetylcholineAcetylcholineME292727-C01996--
AdenineAdenineME292728-C00147--
AdenosineAdenosineME292729-C00212--
ADMADimethylarginineME292730-C03626--
AgmatineAgmatineME292731-C00179--
AlaAlanineME292732-C00041--
Ala-AlaAla-AlaME292733-C00993--
AllantoinAllantoinME292734-C01551--
alpha-AminoadipateAminoadipic acidME292735-C00956--
Alpha-MethylserineAlpha-MethylserineME292736-C02115--
AnserineAnserineME292737-C01262--
ArgArginineME292738-C00062--
AsnAsparagineME292739-C00152--
AspAspartic acidME292740-C00049--
beta-Alabeta-AlanineME292741-C00099--
beta-ImidazolelactateImidazolelactic acidME292742-C05568--
BetaineBetaineME292743-C00719--
Betaine aldehydeBetaine aldehydeME292744-C00576--
BetonicineBetonicineME292745-C08269--
CadaverineCadaverineME292746-C01672--
CarnitineCarnitineME292747-C00318--
CarnosineCarnosineME292748-C00386--
CholineCholineME292749-C00114--
CitrullineCitrullineME292750-C00327--
CreatineCreatineME292751-C00300--
CreatinineCreatinineME292752-C00791--
CyclohexylamineCyclohexylamineME292753-C00571--
CysCysteineME292754-C00097--
CystathionineCystathionineME292755-C02291--
Cysteine-glutathione disulphide -Divalent-ME292756----
CystineCystineME292757-C00491--
CytidineCytidineME292758-C00475--
CytosineCytosineME292759-C00380--
DiethanolamineDiethanolamineME292760-C06772--
DihydrouracilDihydrouracilME292761-C00429--
DopamineDopamineME292762-C03758--
EctoineEctoineME292763-C06231--
GABAgamma-Aminobutyric acidME292764-C00334--
gamma-Butyrobetaine3-DehydroxycarnitineME292765-C01181--
gamma-Guanidinobutyrate4-Guanidinobutanoic acidME292766-C01035--
GlnGlutamineME292767-C00064--
GluGlutamic acidME292768-C00025--
GlucosamineGlucosamineME292769-C00329--
GlyGlycineME292770-C00037--
Glycerophosphorylcholinesn-Glycero-3-phosphocholineME292773-C00670--
Gly-GlyGly-GlyME292771-C02037--
Gly-LeuGly-LeuME292772-C02155--
GuanidinoacetateGuanidoacetic acidME292774-C00581--
GuanidinosuccinateGuanidinosuccinic acidME292775-C03139--
GuanineGuanineME292776-C00242--
GuanosineGuanosineME292777-C00387--
HisHistidineME292778-C00135--
HistamineHistamineME292779-C00388--
HomocysteineHomocysteineME292780-C00155--
HomocystineHomocystineME292781-C01817--
HomoserineHomoserineME292782-C00263--
HydroxyprolineHydroxyprolineME292783-C01015--
HypotaurineHypotaurineME292784-C00519--
HypoxanthineHypoxanthineME292785-C00262--
IleIsoleucineME292786-C00407--
Imidazole-4-acetateImidazoleacetic acidME292787-C02835--
Indole-3-acetaldehydeIndoleacetaldehydeME292788-C00637--
Indole-3-acetamide1H-Indole-3-acetamideME292789-C02693--
InosineInosineME292790-C00294--
Isoamylamine3-Methyl-1-butylamineME292791-C02640--
IsopropanolamineIsopropanolamineME292792-C05771--
KynurenineKynurenineME292793-C00328--
LeuLeucineME292794-C00123--
LysLysineME292795-C00047--
Mannosamine2-Amino-2-deoxy-D-mannoseME292796-C03570--
MetMethionineME292797-C00073--
Methionine sulfoxideMethionine sulfoxideME292798-C02989--
MethylguanidineMethylguanidineME292799-C02294--
N1-AcetylspermidineN1-AcetylspermidineME292810-C00612--
N1,N12-DiacetylspermineN1,N12-DiacetylspermineME292811-C03413--
N1,N8-DiacetylspermidineN1,N8-DiacetylspermidineME292812----
N6,N6,N6-TrimethyllysineN-6-TrimethyllysineME292813-C03793--
N8-AcetylspermidineN8-AcetylspermidineME292814-C01029--
N-AcetylglucosamineN-Acetyl-D-glucosamineME292800-C00140--
N-AcetylglucosylamineN-Acetyl-beta-glucosaminylamineME292801-C01239--
N-AcetylhistidineN-AcetylhistidineME292802-C02997--
N-AcetylornithineN-AcetylornithineME292803-C00437--
N-AcetylputrescineN-AcetylputrescineME292804-C02714--
N-AcetylvalineN-AcetylvalineME292805----
N-epsilon-AcetyllysineN6-AcetyllysineME292806-C02727--
NicotinamideNiacinamideME292815-C00153--
N-MethylalanineN-MethylalanineME292807-C02721--
N-MethylglutamateN-Methyl-glutamic acidME292808-C01046--
N,N-DimethylglycineDimethylglycineME292809-C01026--
o-AcetylcarnitineCAR 2:0ME292816-C02571--
O-AcetylserineO-AcetylserineME292817-C00979--
OrnithineOrnithineME292818-C00077--
p-Aminobenzoatep-Aminobenzoic acidME292819-C00568--
PhePhenylalanineME292820-C00079--
PhenethylaminePhenylethylamineME292821-C05332--
PhosphorylcholineCholine phosphateME292822-C00588--
PipecolatePipecolic acidME292823-C00408--
ProProlineME292824-C00148--
PterinPterinME292825-C00715--
Putrescine(1,4-Butanediamine)PutrescineME292826-C00134--
PyridoxalPyridoxalME292827-C00250--
PyridoxaminePyridoxamineME292828-C00534--
Pyridoxamine 5'-phosphatePyridoxamine 5'-phosphateME292829-C00647--
RiboflavinRiboflavinME292830-C00255--
SaccharopineSaccharopineME292832-C00449--
SAHS-AdenosylhomocysteineME292833-C00021--
SAM+S-AdenosylmethionineME292834-C00019--
SarcosineSarcosineME292835-C00213--
SDMASymmetric dimethylarginineME292836----
SerSerineME292837-C00065--
SerotoninSerotoninME292838-C00780--
S-MethylmethionineS-MethylmethionineME292831-C03172--
SpermidineSpermidineME292839-C00315--
TaurineTaurineME292840-C00245--
ThiamineThiamineME292841-C00378--
Thiamine monophosphateThiamine monophosphateME292842-C01081--
ThrThreonineME292843-C00188--
ThymidineThymidineME292844-C00214--
ThymineThymineME292845-C00178--
TrigonellineTrigonellineME292846-C01004--
Trimethylamine N-oxideTrimethylamine N-oxideME292847-C01104--
TrimethylsulfoniumTrimethyl sulfoniumME292848-C01008--
TrpTryptophanME292849-C00078--
TyrTyrosineME292850-C00082--
TyramineTyramineME292851-C00483--
UracilUracilME292852-C00106--
UreaUreaME292853-C00086--
UridineUridineME292854-C00299--
UrocanateUrocanic acidME292855-C00785--
ValValineME292856-C00183--
XanthineXanthineME292857-C00385--
XanthurenateXanthurenic acidME292858-C02470--


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
2,5-DihydroxybenzoateGentisic acidME292864-C00628--
2-Deoxyglucose 6-phosphate2-Deoxy-D-glucose 6-phosphateME292859-C06369--
2-Hydroxybutyrate2-Hydroxybutyric acidME292860-C05984--
2-Hydroxyglutarate2-Hydroxyglutaric acidME292861-C02630--
2-Isopropylmalate2-Isopropylmalic acidME292862-C02504--
2-Oxoglutarate2-Oxoglutaric acidME292863-C00026--
3-(4-Hydroxyphenyl)propionateDesaminotyrosineME292865-C01744--
3-Hydroxy-3-methylglutarate3-Hydroxymethylglutaric acidME292866-C03761--
3-Hydroxybutyrate3-Hydroxybutyric acidME292867-C01089--
3-MethylbutanoateIsovaleric acidME292868-C08262--
3-PhenyllactatePhenyllactic acidME292869-C05607--
3-UreidopropionateUreidopropionic acidME292870-C02642--
4-Methyl-2-oxopentanoateKetoleucineME292871-C00233--
4-Methylthio-2-oxobutyrate2-Oxo-4-methylthiobutanoic acidME292872-C01180--
5-OxoprolinePyroglutamic acidME292873-C01879--
Acetyl CoAAcetyl-CoAME292874-C00024--
ADPADPME292875-C00008--
AllantoateAllantoic acidME292876-C00499--
AMPAMPME292877-C00020--
ArgininosuccinateArgininosuccinic acidME292878-C03406--
AzelateAzelaic acidME292879-C08261--
ButyrateButyric acidME292880-C00246--
CarbamoylaspartateCarbamoylaspartateME292881-C00438--
CholateCholic acidME292882-C00695--
cis-Aconitatecis-Aconitic acidME292883-C00417--
CitramalateCitramalic acidME292884-C02614--
CitrateCitric acidME292885-C00158--
CMPCMPME292886-C00055--
CysteateCysteic acidME292887-C00506--
Cysteine S-sulfateCysteine-S-sulfateME292888-C05824--
Deoxycholic acid Deoxycholic acidME292889-C04483--
DodecanedioateDodecanedioic acidME292890-C02678--
dTMPdTMPME292891-C00364--
G6PGlucose 6-phosphateME292892-C00092--
GlucuronateGlucuronic acidME292893-C00191--
GlutarateGlutaric acidME292894-C00489--
Glycerophosphatesn-Glycero-3-phosphateME292895-C00093--
GlycolateGlycolic acidME292896-C00160--
HippurateHippuric acidME292897-C01586--
Isethionate2-HydroxyethanesulfonateME292898-C05123--
Isobutyryl CoAIsobutyryl-CoAME292899-C00630--
IsocitrateIsocitric acidME292900-C00311--
LactateLactic acidME292901-C00186--
MalateMalic acidME292902-C00711--
MalonateMalonic acidME292903-C00383--
MucateGalactaric acidME292904-C00879--
N-AcetylaspartateN-Acetylaspartic acidME292906-C01042--
N-Acetyl-beta-alanineN-Acetyl-beta-alanineME292905-C01073--
N-Acetylglucosamine 1-phosphateN-Acetyl-D-glucosamine 1-phosphateME292907-C04501--
N-Acetylglucosamine 6-phosphateN-Acetyl-glucosamine 6-phosphateME292908-C00357--
N-AcetylglutamateN-Acetylglutamic acidME292909-C00624--
N-AcetylmethionineN-AcetylmethionineME292910-C02712--
N-AcetylneuraminateN-Acetylneuraminic acidME292911-C00270--
NAD+NAD+ME292913-C00003--
N-FormylaspartateN-Formyl-aspartic acidME292912-C01044--
NicotinateNicotinic acidME292914-C00253--
OrotateOrotic acidME292915-C00295--
PantothenatePantothenic acidME292917-C00864--
PentanoateValeric acidME292918-C00803--
PhenaceturatePhenylacetylglycineME292919-C05598--
p-Hydroxyphenylacetate4-Hydroxyphenylacetic acidME292916-C00642--
PimelatePimelic acidME292920-C02656--
Proline betaineProline betaineME292921-C10172--
PropionatePropionic acidME292922-C00163--
SuccinateSuccinic acidME292923-C00042--
TaurocholateTaurocholic acidME292924-C05122--
threo-beta-methylaspartate + Glu-ME292925-C03618--
ThreonateThreonic acidME292926-C01620--
trans-Aconitatetrans-Aconitic acidME292927-C02341--
UDP-glucoseUDP-glucoseME292928-C00029--
UDP-N-acetylglucosamineUDP-N-acetylglucosamineME292929-C00043--
UMPUMPME292930-C00105--
UrateUric acidME292931-C00366--


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