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Analysis: CE 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
1H-Imidazole-4-propionic acid-ME932181----
1-Methyl-4-imidazoleacetic acidMethylimidazoleacetic acidME932180----
1-Methyladenosine1-MethyladenosineME932284----
1-Methylhistamine1-MethylhistamineME932156----
1-Methylnicotinamide1-Methyl nicotinamideME932175----
"2,3-Diaminopropionic acid"2,3-Diaminopropionic acidME932134----
"2,4-Diaminobutyric acid"2,4-Diaminobutyric acidME932144----
"2,6-Diaminopimelic acid"2,6-Diaminopimelic acidME932232----
"2-Amino-2-(hydroxymethyl)-1,3-propanediol"2-Amino-2-methylol-propane-1,3-diolME932151----
2-Aminoadipic acid"alpha-Aminoadipic acidME932201----
2-Aminobutyric acid"2-Aminobutyric acidME932131----
2'-DeoxycytidineDeoxycytidineME932250----
2-Methylserine2-MethylserineME932146----
2-Methylthiazolidine-4-carboxylic acid-ME932188----
2-PhenylethylaminePhenylethylamineME932152----
3-Aminobutyric acid3-Aminobutyric acidME932130----
3-Aminoisobutyric acid3-Aminoisobutanoic acidME932132----
3-Aminopropionitrile-ME932113----
3-Guanidinopropionic acid3-Guanidinopropanoic acidME932164----
3-Hydroxy-2-methyl-4-pyroneMaltolME932157----
3-Methylhistidine"3-MethylhistidineME932210----
4-Guanidinobutyric acid4-Guanidinobutanoic acidME932184----
4-Oxopyrrolidine-2-carboxylic acid4-Oxo-prolineME932159----
5-Aminovaleric acid5-Aminopentanoic acidME932143----
5'-Deoxy-5'-methylthioadenosine5'-MethylthioadenosineME932292----
5-Hydroxylysine5-HydroxylysineME932203----
5-Hydroxytryptophan5-Hydroxy-tryptophanME932246----
5-Methyltetrahydrofolic acid5-Methyl-THFME932311----
6-Hydroxydopamine"6-HydroxydopamineME932209----
"7,8-Dihydrobiopterin"7,8-DihydrobiopterinME932258----
AdenineAdenineME932173----
AdenosineAdenosineME932277----
ADMADimethylarginineME932235----
AlaAlanineME932123----
Ala-Ala"Ala-AlaME932199----
AminoacetoneAminoacetoneME932115----
Anserine_divalent-ME932149----
ArgArginineME932214----
Arg-GluArg-GluME932293----
Argininosuccinic acidArgininosuccinic acidME932289----
AsnAsparagineME932168----
AspAspartic acidME932172----
AspartameAspartameME932290----
BetaineBetaineME932142----
Betaine aldehyde_+H2OBetaine aldehydeME932148----
ButyrylcarnitineCAR 4:0ME932252----
CarboxymethyllysineN(6)-Carboxymethyl-lysineME932240----
CarnitineCarnitineME932202----
CholineCholineME932133----
cis-4-Hydroxyprolinecis-4-HydroxyprolineME932163----
CitrullineCitrullineME932216----
CreatineCreatineME932165----
CreatinineCreatinineME932138----
CyclohexylamineCyclohexylamineME932125----
CysCysteineME932150----
CystathionineCystathionineME932249----
Cysteine glutathione disulfideS-Glutathionyl-cysteineME932309----
CytidineCytidineME932261----
Decarboxylated S-AdenosylmethionineS-AdenosylmethioninamineME932304----
DiethanolamineDiethanolamineME932136----
DimethylaminoethanolDimethylethanolamineME932122----
ErgothioneineErgothioneineME932251----
EthanolamineEthanolamineME932112----
GABAgamma-Aminobutyric acidME932128----
GlnGlutamineME932193----
GluGlutamic acidME932189----
GluconolactoneGluconolactoneME932218----
GlucosamineGlucosamineME932219----
Glu-GluGlu-GluME932281----
Glutathione (GSH)GlutathioneME932295----
Glutathione (GSSG)_divalentOxidized glutathioneME932294----
GlyGlycineME932117----
Gly-AspGly-AspME932231----
GlycerolGlycerolME932124----
Glycerophosphocholinesn-Glycero-3-phosphocholineME932271----
Gly-GlyGly-GlyME932169----
Gly-LeuGly-LeuME932225----
Guanidinosuccinic acidGuanidinosuccinic acidME932215----
Guanidoacetic acidGuanidoacetic acidME932140----
GuanosineGuanosineME932285----
Hexamine-ME932182----
HexylamineHexylamineME932127----
HisHistidineME932197----
His-GluHis-GluME932286----
HomoarginineHomoarginineME932227----
HomocarnosineHomocarnosineME932259----
HomocitrullineHomocitrullineME932230----
HomoserineHomoserineME932145----
HomoserinelactoneHomoserine lactoneME932126----
HydroxyprolineHydroxyprolineME932162----
HypotaurineHypotaurineME932137----
HypoxanthineHypoxanthineME932174----
IleIsoleucineME932167----
Ile-Pro-ProIle-Pro-ProME932300----
Imidazolelactic acidImidazolelactic acidME932198----
InosineInosineME932278----
IsobutyrylcarnitineCAR 3:0;2MeME932253----
Isoglutamic acidIsoglutamic acidME932190----
IsovalerylcarnitineCAR 4:0;3MeME932263----
KynurenineKynurenineME932242----
LeuLeucineME932166----
LipoamideLipoamideME932241----
LysLysineME932187----
MalonylcarnitineCAR DC3:0ME932265----
MetMethionineME932194----
Morpholine-ME932118----
N1-AcetylspermidineN1-AcetylspermidineME932223----
N-(1-Deoxy-1-fructosyl)valine-ME932283----
N1-Methyl-4-pyridone-5-carboxamideN1-Methyl-4-pyridone-3-carboxamideME932196----
N5-EthylglutamineN(5)-Ethyl-glutamineME932213----
N6-AcetyllysineN6-AcetyllysineME932226----
N6-MethyllysineN(6)-MethyllysineME932200----
"N6,N6,N6-Trimethyllysine"N-6-TrimethyllysineME932229----
N8-AcetylspermidineN8-AcetylspermidineME932222----
N-AcetylglucosylamineN-Acetyl-beta-glucosaminylamineME932247----
N-AcetylhistidineN-AcetylhistidineME932233----
N-AcetyllysineN(2)-AcetyllysineME932224----
N-Acetylmannosamine"N-Acetyl-mannosamineME932248----
N-AcetylornithineN-AcetylornithineME932212----
N-AcetylputrescineN-AcetylputrescineME932161----
N-AcetylserineN-AcetylserineME932191----
NicotinamideNiacinamideME932153----
Nicotinic acidNicotinic acidME932154----
NMNAsn-Met-AsnME932301----
"N,N-Dimethylglycine"DimethylglycineME932129----
Nω-MethylarginineTarginineME932228----
O-AcetylcarnitineCAR 2:0ME932237----
Ophthalmic acidOphthalmic acidME932288----
OrnithineOrnithineME932170----
PhePhenylalanineME932205----
PhosphorylcholineCholine phosphateME932221----
Pipecolic acidPipecolic acidME932160----
ProProlineME932139----
PutrescinePutrescineME932119----
PyridoxalPyridoxalME932207----
Pyridoxamine 5'-phosphatePyridoxamine 5'-phosphateME932266----
RiboflavinRiboflavinME932305----
SaccharopineSaccharopineME932282----
S-AdenosylhomocysteineS-AdenosylhomocysteineME932307----
S-AdenosylmethionineS-AdenosylmethionineME932308----
SarcosineSarcosineME932121----
SDMASymmetric dimethylarginineME932234----
SerSerineME932135----
Ser-GluSer-GluME932257----
SerotoninSerotoninME932217----
S-LactoylglutathioneS-LactoylglutathioneME932306----
S-MethylglutathioneS-MethylglutathioneME932298----
S-MethylmethionineS-MethylmethionineME932204----
SpermidineSpermidineME932186----
SpermineSpermineME932236----
StachydrineStachydrineME932183----
TaurineTaurineME932155----
TaurocyamineTaurocyamineME932206----
Tetrahydrofolic acidTHFME932310----
ThiamineThiamineME932276----
Thiamine phosphateTMPME932302----
ThiaprolineThioprolineME932171----
ThrThreonineME932147----
Thr-AspThr-AspME932255----
threo-β-Methylaspartic acid-ME932192----
ThymidineThymidineME932260----
TrigonellineTrigonellineME932176----
TrimethylamineTrimethylamineME932110----
Trimethylamine N-oxideTrimethylamine N-oxideME932116----
TrpTryptophanME932239----
TyrTyrosineME932220----
TyramineTyramineME932177----
Tyr-Arg_divalentTyr-ArgME932208----
Tyr-GluTyr-GluME932297----
UreaUreaME932111----
UridineUridineME932262----
Urocanic acidUrocanic acidME932179----
ValValineME932141----
XanthineXanthineME932195----
XC0001-ME932114----
XC0016-ME932158----
XC0040-ME932211----
XC0061"-ME932243----
XC0071-ME932254----
XC0089-ME932269----
XC0126-ME932296----
XC0132-ME932299----
XC0137-ME932303----
XC0154-ME932270----
β-Alabeta-AlanineME932120----
β-Ala-Lys-ME932244----
γ-Butyrobetaine3-DehydroxycarnitineME932185----
γ-Glu-Alagamma-GlutamylalanineME932245----
γ-Glu-Asn-ME932273----
γ-Glu-Asp-ME932275----
γ-Glu-Cysgamma-GlutamylcysteineME932268----
γ-Glu-Glngamma-GlutamylglutamineME932279----
γ-Glu-Glugamma-Glutamylglutamic acidME932280----
γ-Glu-Glygamma-GlutamylglycineME932238----
γ-Glu-Hisgamma-GlutamylhistidineME932287----
γ-Glu-Leu"gamma-GlutamylleucineME932272----
γ-Glu-Lys_divalentgamma-GlutamyllysineME932178----
γ-Glu-Ornitine-ME932274----
γ-Glu-Phegamma-GlutamylphenylalanineME932291----
γ-Glu-Sergamma-Glu-SerME932256----
γ-Glu-Thrgamma-GlutamylthreonineME932267----
γ-Glu-Valgamma-GlutamylvalineME932264----


Analysis: CE 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
"2,3-Diphosphoglyceric acid"2,3-Diphosphoglyceric acidME932390----
2-Hydroxybutyric acid2-Hydroxybutyric acidME932318----
2-Hydroxyglutaric acid2-Hydroxyglutaric acidME932339----
2-Hydroxyisobutyric acid2-Hydroxyisobutyric acidME932317----
2-Hydroxyvaleric acid2-Hydroxyvaleric acidME932324----
2-Oxohexanoic acid"2-Ketocaproic acidME932328----
3'-Dephospho CoA3'-Dephospho-CoAME932437----
3-Hydroxybutyric acid3-Hydroxybutyric acidME932319----
3-Indoxylsulfuric acidIndoxyl sulfateME932374----
3-Phosphoglyceric acid3-Phosphoglyceric acidME932358----
3-Ureidopropionic acidUreidopropionic acidME932332----
4-Acetamidobutanoic acid4-Acetamidobutanoic acidME932338----
5-Aminoimidazole-4-carboxamide ribotideAICARME932402----
5-OxoprolinePyroglutamic acidME932326----
"6,8-Thioctic acid"-ME932371----
6-Phosphogluconic acid6-Phosphogluconic acidME932391----
Acetyl CoA_divalentAcetyl-CoAME932414----
Adenosine 5'-phosphosulfateAdenosine phosphosulfateME932418----
Adenylosuccinic acidAdenylsuccinic acidME932422----
ADPADPME932419----
ADP-glucose"ADP-glucoseME932432----
ADP-riboseADP-riboseME932428----
AMPAMPME932405----
Ascorbate 2-glucoside-ME932403----
Ascorbate 2-phosphate-ME932384----
Ascorbate 2-sulfate"-ME932382----
Ascorbic acidVitamin CME932355----
ATPATPME932425----
Azelaic acidAzelaic acidME932361----
CDPCDPME932412----
CDP-cholineCDP-cholineME932424----
Cholic acidCholic acidME932415----
cis-Aconitic acidcis-Aconitic acidME932351----
Citric acidCitric acidME932365----
CMPCMPME932399----
CMP-N-acetylneuraminateCMP-N-acetylneuraminic acidME932435----
CoA_divalentCoenzyme AME932410----
Decanoic acidCapric acidME932349----
Dihydroxyacetone phosphateDihydroxyacetone phosphateME932346----
dTDP-glucosedTDP-glucoseME932429----
Ethanolamine phosphatePhosphoethanolamineME932335----
FAD_divalentFADME932411----
Formiminoglutamic acidFormiminoglutamic acidME932353----
"Fructose 1,6-diphosphate"Fructose 1,6-bisphosphateME932404----
Fructose 6-phosphateFructose 6-phosphateME932388----
Fumaric acidFumaric acidME932320----
GDPGDPME932420----
GDP-glucose"GDP-glucoseME932433----
Glucaric acidGlucaric acidME932372----
Gluconic acidGluconic acidME932369----
Glucose 1-phosphateGlucose 1-phosphateME932389----
Glucose 6-phosphateGlucose 6-phosphateME932386----
Glucuronic acid-1"Glucuronic acidME932367----
Glucuronic acid-2"Glucuronic acidME932368----
-Glu-Taurine5-Glutamyl-taurineME932381----
Glyceraldehyde 3-phosphateGlyceraldehyde 3-phosphateME932347----
Glycerol 3-phosphatesn-Glycero-3-phosphateME932348----
Glycocholic acidGlycocholic acidME932423----
GMPGMPME932407----
GTPGTPME932427----
Heptanoic acidHeptylic acidME932329----
Hexanoic acidCaproic acidME932321----
Hippuric acidHippuric acidME932356----
Hydroxyphenyllactic acid"Hydroxyphenyllactic acidME932357----
IMPIMPME932406----
Isethionic acid2-HydroxyethanesulfonateME932325----
Isobutyric acid"Isobutyric acidME932314----
Isobutyryl CoA_divalentIsobutyryl-CoAME932416----
Itaconic acidItaconic acidME932327----
Lactic acidLactic acidME932315----
Lauric acidLauric acidME932370----
Malic acidMalic acidME932333----
Methylsuccinic acid"Methylsuccinic acidME932331----
m-Toluic acid"m-Toluic acidME932334----
Mucic acidGalactaric acidME932373----
myo-Inositol 2-phosphatemyo-Inositol 2-phosphateME932387----
myo-Inositol 3-phosphate"Inositol 3-phosphateME932385----
Myristic acidMyristic acidME932377----
Myristoleic acidMyristoleic acidME932376----
N-AcetylalanineN-AcetylalanineME932330----
N-AcetylasparagineN-AcetylasparagineME932352----
N-Acetylaspartic acidN-Acetylaspartic acidME932354----
N-Acetylglucosamine 1-phosphateN-Acetylglucosamine 1-phosphateME932396----
N-Acetylglucosamine 6-phosphateN-Acetyl-glucosamine 6-phosphateME932395----
N-Acetylglutamic acidN-Acetylglutamic acidME932362----
N-AcetylglutamineN-AcetylglutamineME932360----
N-AcetylglycineN-AcetylglycineME932322----
N-Acetylleucine"N-AcetylleucineME932350----
N-AcetylmethionineN-AcetylmethionineME932363----
N-Acetylneuraminic acidN-Acetylneuraminic acidME932397----
NAD+NADME932436----
NADP+NADPME932438----
NADPH_divalent-ME932409----
N-Ethylmaleimide_+H2ON-EthylmaleimideME932336----
N-Glycolylneuraminic acidN-Glycolylneuraminic acidME932401----
Octanoic acidCaprylic acidME932337----
OrotidineOrotidineME932393----
OxypurinolOxypurinolME932340----
Pantothenic acidPantothenic acidME932375----
Pelargonic acidPelargonic acidME932341----
Phenaceturic acidPhenylacetylglycineME932366----
Phosphoenolpyruvic acidPhosphoenolpyruvic acidME932344----
Propionic acidPropionic acidME932312----
Pyruvic acidPyruvic acidME932313----
Ribose 5-phosphateRibose 5-phosphateME932379----
"Ribulose 1,5-diphosphate"Ribulose 1,5-bisphosphateME932398----
Ribulose 5-phosphateRibulose 5-phosphateME932378----
Sedoheptulose 7-phosphateSedoheptulose 7-phosphateME932394----
Succinic acidSuccinic acidME932323----
Taurocholic acidTaurocholic acidME932426----
Terephthalic acidTerephthalic acidME932342----
Thiamine diphosphateThiamine diphosphateME932417----
UDPUDPME932413----
UDP-glucose"UDP-glucoseME932430----
UDP-glucuronic acidUDP-glucuronic acidME932431----
UDP-N-acetylglucosamine"UDP-N-acetylglucosamineME932434----
UMPUMPME932400----
Uric acidUric acidME932345----
Valeric acid"Valeric acidME932316----
XA0012-ME932343----
XA0017-ME932359----
XA0019-ME932364----
XA0033-ME932380----
XA0035-ME932383----
XA0055-ME932408----
XA0065-ME932421----
XanthosineXanthosineME932392----


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