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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-Aminocyclopropanecarboxylate1-Aminocyclopropanecarboxylic acidME253554----
1-Methyladenosine_R11-MethyladenosineME253556----
1-Methyladenosine_R21-MethyladenosineME253824----
1-Methyl-L-Histidine1-MethylhistidineME253555----
1-Methylnicotinamide1-Methyl nicotinamideME253557----
1-Methyluric Acid1-Methyluric acidME253558----
2-Aminophenol_R12-AminophenolME253559----
2-Aminophenol_R22-AminophenolME253744----
2-Deoxy-D-Glucose_R12-Deoxy-glucoseME253560----
2-Deoxy-D-Glucose_R22-Deoxy-glucoseME253784----
2-Hydroxypyridine_R12-HydroxypyridineME253561----
2-Hydroxypyridine_R22-HydroxypyridineME253739----
2-Oxobutanoate3-Methyl pyruvic acidME253562----
2-QuinolinecarboxylateQuinaldic acidME253563----
3-(2-Hydroxyphenyl)Propanoate_R13-(2-Hydroxyphenyl)propanoic acidME253564----
3-(2-Hydroxyphenyl)Propanoate_R23-(2-Hydroxyphenyl)propanoic acidME253786----
3,4-DihydroxybenzoateProtocatechuic acidME253574----
3-(4-Hydroxyphenyl)Pyruvate4-Hydroxyphenylpyruvic acidME253841----
3-(4-Hydroxyphenyl)Pyruvate / Caffeate-ME253565----
3-Amino-4-Hydroxybenzoate_R13-Amino-4-hydroxybenzoic acidME253566----
3-Amino-4-Hydroxybenzoate_R23-Amino-4-hydroxybenzoic acidME253762----
3-Amino-5-Hydroxybenzoate_R13-Amino-5-hydroxybenzoic acidME253567----
3-Amino-5-Hydroxybenzoate_R23-Amino-5-hydroxybenzoic acidME253775----
3-Hydroxy-3-Methylglutaryl-Coa3-Hydroxy-3-methylglutaryl-CoAME253568----
3-Hydroxyanthranilic acid_R13-Hydroxyanthranilic acidME253569----
3-Hydroxyanthranilic acid_R23-Hydroxyanthranilic acidME253761----
3-Methoxytyramine_R13-MethoxytyramineME253570----
3-Methoxytyramine_R23-MethoxytyramineME253772----
3-Methoxytyrosine3-MethoxytyrosineME253571----
3-methylhistamine_R13-MethylhistamineME253572----
3-methylhistamine_R23-MethylhistamineME253754----
3-Nitro-L-Tyrosine_R1NitrotyrosineME253573----
3-Nitro-L-Tyrosine_R2NitrotyrosineME253807----
4-Acetamidobutanoate_R14-Acetamidobutanoic acidME253575----
4-Acetamidobutanoate_R24-Acetamidobutanoic acidME253767----
4-Aminobenzoate / Anthranilate-ME253576----
4-Guanidinobutanoate4-Guanidinobutanoic acidME253577----
4-Hydroxybenzaldehyde_R14-HydroxybenzaldehydeME253578----
4-Hydroxybenzaldehyde_R24-HydroxybenzaldehydeME253742----
4-Hydroxybenzoate4-Hydroxybenzoic acidME253579----
4-ImidazoleacetateImidazoleacetic acidME253580----
4-Pyridoxic acid4-Pyridoxic acidME253581----
4-Pyrodixic acid / Xanthurenate-ME253845----
5-aminolevulinic acid5-Amino-levulinic acidME253582----
5-Hydroxylysine5-HydroxylysineME253583----
5-Hydroxytryptophan5-Hydroxy-tryptophanME253584----
5-Methylcytosine_R15-MethylcytosineME253585----
5-Methylcytosine_R25-MethylcytosineME253753----
6-Hydroxynicotinate_R16-Hydroxynicotinic acidME253586----
6-Hydroxynicotinate_R26-Hydroxynicotinic acidME253780----
AcetaminophenAcetaminophenME253587----
Adenine_R1AdenineME253588----
Adenine_R2AdenineME253763----
Adenosine 2',3'-Cyclic Phosphate2',3' cyclic AMPME253590----
Adenosine_R1AdenosineME253589----
Adenosine_R2AdenosineME253822----
Adrenaline(Epinephrine)_R1-ME253591----
Adrenaline(Epinephrine)_R2-ME253799----
Alanine / D-Alanine-ME253592----
Allantoin_R1AllantoinME253593----
Allantoin_R2AllantoinME253779----
AminoadipateAminoadipic acidME253594----
Aminocaproate_R1Aminocaproic acidME253595----
Aminocaproate_R2Aminocaproic acidME253764----
Aniline-2-Sulfonate2-Aminobenzenesulfonic acidME253596----
Anserine_R1AnserineME253597----
Anserine_R2AnserineME253817----
Asparagine_R1AsparagineME253598----
Asparagine_R2AsparagineME253760----
Asymmetrical dimethylarginine_R1DimethylarginineME253599----
Asymmetrical dimethylarginine_R2DimethylarginineME253806----
Betaine/L-Valine/Norvaline_R1-ME253600----
Betaine/L-Valine/Norvaline_R2-ME253836----
Biopterin_R1BiopterinME253601----
Biopterin_R2BiopterinME253814----
Caffeine_R1CaffeineME253602----
Caffeine_R2CaffeineME253805----
Carnitine_R1CarnitineME253603----
Carnitine_R2CarnitineME253782----
Carnosine_R1CarnosineME253604----
Carnosine_R2CarnosineME253811----
Choline_R1CholineME253605----
Choline_R2CholineME253741----
cis-4-hydroxy-D-prolinecis-4-Hydroxy-D-prolineME253606----
Citrulline_R1CitrullineME253607----
Citrulline_R2CitrullineME253795----
CortisolCortisolME253608----
Cortisol 21-AcetateCortisol 21-acetateME253609----
CortisoneCortisoneME253610----
CotinineCotinineME253611----
Cotinine N-oxideCotinine N-oxideME253612----
CreatinineCreatinineME253613----
Cyclic AMP3',5' cyclic AMPME253830----
Cyclic AMP (Adenosine 3',5'-cyclic monophosphate)3',5' cyclic AMPME253614----
Cyclic GMP_R13',5' cyclic GMPME253615----
Cyclic GMP_R23',5' cyclic GMPME253831----
CystathionineCystathionineME253616----
Cytidine 2',3'-Cyclic Phosphate_R12',3' cyclic CMPME253618----
Cytidine 2',3'-Cyclic Phosphate_R22',3' cyclic CMPME253828----
Cytidine_R1CytidineME253617----
Cytidine_R2CytidineME253819----
CytosineCytosineME253619----
Deoxycarnitine_R13-DehydroxycarnitineME253626----
Deoxycarnitine_R23-DehydroxycarnitineME253768----
Deoxycytidine_R1DeoxycytidineME253627----
Deoxycytidine_R2DeoxycytidineME253812----
D-GlucuronolactoneGlucuronolactoneME253620----
DiethanolamineDiethanolamineME253628----
Dihydrobiopterin_R14a-Carbinolamine tetrahydrobiopterinME253629----
Dihydrobiopterin_R24a-Carbinolamine tetrahydrobiopterinME253815----
Dihydrouracil_R1DihydrouracilME253630----
Dihydrouracil_R2DihydrouracilME253747----
Dimethylglycine_R1DimethylglycineME253631----
Dimethylglycine_R2DimethylglycineME253740----
D,L Glucosamine (A) / D,L Galactosamine (A) / D-Ma...-ME253840----
D,L Glucosamine (B) / D,L Galactosamine (B)-ME253839----
D/L Glucosamine / D/L Galactosamine-ME253624----
D/L Glucosamine / D/L Galactosamine / D-Mannosamin...-ME253623----
D/L N-Acetylglucosamine (A)_R1-ME253844----
D/L N-Acetylglucosamine (A)_R2-ME253846----
D/L N-Acetylglucosamine / D/L N-Acetylgalactosamin...-ME253625----
D-Mannosamine_R12-Amino-2-deoxy-D-mannoseME253621----
D-Mannosamine_R22-Amino-2-deoxy-D-mannoseME253842----
D-OrnithineD-OrnithineME253622----
Ectoine_R1EctoineME253632----
Ectoine_R2EctoineME253766----
Galactitol_R1GalactitolME253633----
Galactitol_R2GalactitolME253798----
GalacturonateGalacturonic acidME253634----
Gamma-aminobutyrate / Aminoisobutanoate / 2-Aminoi...-ME253635----
GluconateGluconic acidME253636----
GlucoseGlucoseME253637----
Glutarylcarnitine_R1CAR DC5:0ME253638----
Glutarylcarnitine_R2CAR DC5:0ME253823----
Glycine_R1GlycineME253639----
Glycine_R2GlycineME253737----
Glycochenodeoxycholate_R1Glycochenodeoxycholic acidME253640----
Glycochenodeoxycholate_R2Glycochenodeoxycholic acidME253834----
GlycocholateGlycocholic acidME253641----
Guanidinoacetate_R1Guanidoacetic acidME253642----
Guanidinoacetate_R2Guanidoacetic acidME253749----
Guanidinosuccinate_R1Guanidinosuccinic acidME253643----
Guanidinosuccinate_R2Guanidinosuccinic acidME253793----
Guanine_R1GuanineME253644----
Guanine_R2GuanineME253773----
Guanosine_R1GuanosineME253645----
Guanosine_R2GuanosineME253825----
Hippurate_R1Hippuric acidME253646----
Hippurate_R2Hippuric acidME253796----
Histamine_R1HistamineME253647----
Histamine_R2HistamineME253745----
Hydroxykynurenine_R1HydroxykynurenineME253648----
Hydroxykynurenine_R2HydroxykynurenineME253810----
Hypoxanthine/2-Deoxyinosine_R1-ME253649----
Hypoxanthine/2-Deoxyinosine_R2-ME253838----
Indole-3-Acetamide1H-Indole-3-acetamideME253650----
Indole-3-AcetateIndoleacetic acidME253651----
Indole-3-Acetate (B)Indoleacetic acidME253794----
InosineInosineME253652----
Inosine MonophosphateIMPME253653----
Kynurenic acid_R1Kynurenic acidME253654----
Kynurenic acid_R2Kynurenic acidME253802----
Kynurenine_R1KynurenineME253655----
Kynurenine_R2KynurenineME253808----
LactoseLactoseME253670----
L-Arginine_R1ArginineME253656----
L-Arginine_R2ArginineME253790----
LauroylcarnitineCAR 12:0ME253671----
L-Cysteine_R1CysteineME253657----
L-Cysteine_R2CysteineME253751----
L-Cystine_R1CystineME253658----
L-Cystine_R2CystineME253816----
L-Glutamic Acid / N-Methyl-D-aspartic acid-ME253659----
L-Histidine_R1HistidineME253660----
L-Histidine_R2HistidineME253777----
LipoamideLipoamideME253672----
L-Isoleucine / Norleucine-ME253661----
L-LeucineLeucineME253662----
L-Lysine_R1LysineME253663----
L-Lysine_R2LysineME253769----
L-Methionine_R1MethionineME253664----
L-Methionine_R2MethionineME253771----
L-Phenylalanine_R1PhenylalanineME253665----
L-Phenylalanine_R2PhenylalanineME253785----
L-Proline_R1ProlineME253666----
L-Proline_R2ProlineME253748----
L-Serine_R1SerineME253667----
L-Serine_R2SerineME253743----
L-Threonine / Homoserine / Allothreonine_R1-ME253668----
L-Threonine / Homoserine / Allothreonine_R2-ME253837----
L-Tyrosine_R1TyrosineME253669----
L-Tyrosine_R2TyrosineME253797----
Lumichrome_R1LumichromeME253673----
Lumichrome_R2LumichromeME253818----
MalateMalic acidME253674----
MethylpicolinateMethyl picolinateME253675----
Methylthioadenosine_R1MethylthioadenosineME253676----
Methylthioadenosine_R2MethylthioadenosineME253827----
MevalolactoneMevalolactoneME253677----
N-Acetylasparagine_R1N-AcetylasparagineME253678----
N-Acetylasparagine_R2N-AcetylasparagineME253789----
N-Acetylaspartate_R1N-Acetylaspartic acidME253679----
N-Acetylaspartate_R2N-Acetylaspartic acidME253792----
N-AcetylcysteineN-AcetylcysteineME253680----
N-Acetylglutamate_R1N-Acetylglutamic acidME253681----
N-Acetylglutamate_R2N-Acetylglutamic acidME253803----
N-Acetylmethionine_R1N-AcetylmethionineME253682----
N-Acetylmethionine_R2N-AcetylmethionineME253804----
N-Acetylneuraminate_R1N-Acetylneuraminic acidME253683----
N-Acetylneuraminate_R2N-Acetylneuraminic acidME253829----
N-AcetylphenylalanineN-AcetylphenylalanineME253684----
N-Acetylproline_R1N-Acetyl-prolineME253685----
N-Acetylproline_R2N-Acetyl-prolineME253778----
N-Acetylputrescine_R1N-AcetylputrescineME253686----
N-Acetylputrescine_R2N-AcetylputrescineME253758----
N-Acetylserine_R1N-AcetylserineME253687----
N-Acetylserine_R2N-AcetylserineME253757----
N-Acetyltryptophan_R1N-Acetyl-tryptophanME253688----
N-Acetyltryptophan_R2N-Acetyl-tryptophanME253820----
N-Alpha-Acetyllysine_R1N(2)-AcetyllysineME253689----
N-Alpha-Acetyllysine_R2N(2)-AcetyllysineME253800----
NicotinamideNiacinamideME253693----
Nicotine-1-N-oxide-ME253694----
Nicotinic acid_R1Nicotinic acidME253695----
Nicotinic acid_R2Nicotinic acidME253752----
N-Methylglutamate_R1N-Methyl-glutamic acidME253690----
N-Methylglutamate_R2N-Methyl-glutamic acidME253781----
N-Methyltryptamine_R1N-MethyltryptamineME253691----
N-Methyltryptamine_R2N-MethyltryptamineME253791----
N,N,N-Trimethyllysine_R1N-6-TrimethyllysineME253692----
N,N,N-Trimethyllysine_R2N-6-TrimethyllysineME253801----
NorcotinineNorcotinineME253696----
O-AcetylcarnitineCAR 2:0ME253697----
Octopamine_R1OctopamineME253698----
Octopamine_R2OctopamineME253776----
OphthalmateOphthalmic acidME253699----
OrnithineOrnithineME253700----
OrotateOrotic acidME253701----
Pantothenate_R1Pantothenic acidME253702----
Pantothenate_R2Pantothenic acidME253809----
ParaxanthineParaxanthineME253843----
Paraxanthine / Theobromine /Theophylline-ME253703----
Phenol_R1PhenolME253704----
Phenol_R2PhenolME253738----
Phenylacetylglutamine_R1alpha-N-PhenylacetylglutamineME253705----
Phenylacetylglutamine_R2alpha-N-PhenylacetylglutamineME253821----
Phenylethanolamine2-HydroxyphenethylamineME253706----
PhenylglycinePhenylglycineME253707----
PipecolatePipecolic acidME253708----
Pro-Gly_R1Pro-GlyME253709----
Pro-Gly_R2Pro-GlyME253788----
Pterin_R1PterinME253710----
Pterin_R2PterinME253783----
Pyroglutamate_R1Pyroglutamic acidME253711----
Pyroglutamate_R2Pyroglutamic acidME253756----
Raffinose_R1RaffinoseME253712----
Raffinose_R2RaffinoseME253835----
Riboflavin_R1RiboflavinME253713----
Riboflavin_R2RiboflavinME253832----
S-Adenosylhomocysteine_R1S-AdenosylhomocysteineME253714----
S-Adenosylhomocysteine_R2S-AdenosylhomocysteineME253833----
SarcosineSarcosineME253716----
S-CarboxymethylcysteineS-Carboxymethyl-cysteineME253715----
Sepiapterin_R1SepiapterinME253717----
Sepiapterin_R2SepiapterinME253813----
Succinate_R1Succinic acidME253718----
Succinate_R2Succinic acidME253750----
SucroseSucroseME253719----
Sucrose / Trehalose-ME253847----
Taurine_R1TaurineME253720----
Taurine_R2TaurineME253770----
Thiopurine S-Methylether6-MethylthiopurineME253721----
Thymine_R1ThymineME253722----
Thymine_R2ThymineME253755----
trans-3-hydroxycotininetrans-3-HydroxycotinineME253723----
TrehaloseTrehaloseME253724----
Trigonelline_R1TrigonellineME253725----
Trigonelline_R2TrigonellineME253765----
Trimethylamine_R1TrimethylamineME253726----
Trimethylamine_R2TrimethylamineME253736----
TryptamineTryptamineME253727----
TryptophanTryptophanME253728----
Uracil_R1UracilME253729----
Uracil_R2UracilME253746----
Ureidopropionate_R1Ureidopropionic acidME253730----
Ureidopropionate_R2Ureidopropionic acidME253759----
Uric acid_R1Uric acidME253731----
Uric acid_R2Uric acidME253787----
Uridine MonophosphateUMPME253732----
Xanthine_R1XanthineME253733----
Xanthine_R2XanthineME253774----
Xanthosine_R1XanthosineME253734----
Xanthosine_R2XanthosineME253826----
XanthurenateXanthurenic acidME253735----


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
10-Hydroxydecanoate10-Hydroxydecanoic acidME253848----
2,3-Dihydroxybenzoate2-Pyrocatechuic acidME253854----
2-Hydroxy-4-(Methylthio)Butanoate2-Hydroxy-4-(methylthio)butanoic acidME253849----
2-Hydroxybutyrate2-Hydroxybutyric acidME253850----
2-Hydroxyphenylacetate2-Hydroxyphenylacetic acidME253851----
2-Methylglutarate2-Methylglutaric acidME253852----
2-MethylmaleateCitraconic acidME253853----
2OH-MBP (Mono(2-hydroxy-isobutyl)phthalate) / 3OH-...-ME253855----
3-(2-Hydroxyphenyl)Propanoate3-(2-Hydroxyphenyl)propanoic acidME253856----
3-Hydroxybenzoate3-Hydroxybenzoic acidME253857----
3-Methoxy-4-HydroxymandelateVanillylmandelic acidME253858----
3-Methoxytyramine3-MethoxytyramineME253859----
3-MethyglutarateMethylglutaric acidME253860----
3-Methyl-2-Oxindole3-MethyloxindoleME253861----
3-Methyl-2-Oxovalerate3-Methyl-2-oxovaleric acidME253862----
4-Aminobenzoatep-Aminobenzoic acidME253863----
4-Coumaratecis-p-Coumaric acidME253864----
4-Hydroxybenzoate4-Hydroxybenzoic acidME253865----
4-Quinolinecarboxylate4-Quinolinecarboxylic acidME253866----
6-CarboxyhexanoatePimelic acidME253867----
Acetyl-L-LeucineN-AcetylleucineME253868----
AdipateAdipic acidME253869----
Anthranilate2-Aminobenzoic acidME253870----
AzelateAzelaic acidME253871----
BenzylamineBenzylamineME253872----
BiotinBiotinME253873----
Bisphenol S4,4'-SulfonyldiphenolME253874----
Butyl ParabenButylparabenME253875----
CaffeateCaffeic acidME253876----
CaprylateCaprylic acidME253877----
CholateCholic acidME253878----
Cis-Resveratrolcis-ResveratrolME253879----
CortisolCortisolME253880----
CortisoneCortisoneME253881----
cx-MiDP (MCNP) (Mono(2,7-dimethyl-7-carboxyheptyl)...-ME253882----
DeoxycholateDeoxycholic acidME253883----
Dihydroxyacetone PhosphateDihydroxyacetone phosphateME253884----
Dodecanedioic AcidDodecanedioic acidME253885----
Elaidate / Oleate /Petroselinate-ME253886----
EstriolEstriolME253887----
EthylmalonateEthylmalonic acidME253888----
Ferulatetrans-Ferulic acidME253889----
GlycochenodeoxycholateGlycochenodeoxycholic acidME253890----
GlycocholateGlycocholic acidME253891----
GuaiacolGuaiacolME253892----
HippurateHippuric acidME253893----
HomogentisateHomogentisic acidME253894----
HomovanillateHomovanillic acidME253895----
HydroquinoneHydroquinoneME253896----
HydroxyphenyllactateHydroxyphenyllactic acidME253897----
Indole-3-AcetateIndoleacetic acidME253898----
Indole-3-Carboxylic AcidIndole-3-carboxylic acidME253899----
Indole-3-EthanolTryptophanolME253900----
IndoleacetaldehydeIndoleacetaldehydeME253901----
Indoxyl SulfateIndoxyl sulfateME253902----
ItaconateItaconic acidME253903----
LumichromeLumichromeME253904----
MandelateMandelic acidME253906----
m-Coumaric acidtrans-m-Coumaric acidME253905----
MCPP (Mono (3-carboxpropyl) phthalate)-ME253907----
MECPP (Mono-2-ethyl-5-carboxypentyl phthalate)Mono-(2-ethyl-5-carboxypentyl) phthalateME253908----
MEHHP (Mono-2-ethyl-5-hydroxyhexyl phthalate)-ME253909----
MEP (Mono-ethyl phthalate)Monoethyl phthalateME253910----
Methyl ParabenMethylparabenME253911----
MMP (Mono-methyl phthalate)-ME253912----
N-AcetylphenylalanineN-AcetylphenylalanineME253913----
N-Formyl-L-MethionineN-FormylmethionineME253914----
NormetanephrineNormetanephrineME253915----
OH-MiNP (7-OH-(Mono-methyl-octyl) phthalate / Mono...-ME253916----
OxoadipateOxoadipic acidME253917----
Oxoglutarate2-Oxoglutaric acidME253918----
PalmitatePalmitic acidME253920----
PhenylacetatePhenyl acetateME253921----
P-Hydroxyphenylacetate4-Hydroxyphenylacetic acidME253919----
Pregnenolone SulfatePregnenolone sulfateME253922----
RiboflavinRiboflavinME253923----
RosmarinateRosmarinic acidME253924----
SalicylateSalicylic acidME253926----
SalsolinolSalsolinolME253927----
Sebacic AcidSebacic acidME253928----
S-Hexyl-GlutathioneS-Hexyl-glutathioneME253925----
SorbateSorbic acidME253929----
Stearic AcidStearic acidME253930----
SuberateSuberic acidME253931----
Trans-ResveratrolResveratrolME253932----


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