Exact Mass: 245.0953
Exact Mass Matches: 245.0953
Found 186 metabolites which its exact mass value is equals to given mass value 245.0953,
within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error
0.001 dalton.
Asparaginylhydroxyproline
(2S,4R)-1-[(2S)-2-Amino-3-(C-hydroxycarbonimidoyl)propanoyl]-4-hydroxypyrrolidine-2-carboxylate
Asparaginylhydroxyproline is a dipeptide composed of asparagine and hydroxyproline. It is an incomplete breakdown product of protein digestion or protein catabolism. Some dipeptides are known to have physiological or cell-signaling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis.
Hydroxyprolyl-Asparagine
2-{[hydroxy(4-hydroxypyrrolidin-2-yl)methylidene]amino}-3-(C-hydroxycarbonimidoyl)propanoate
Hydroxyprolyl-Asparagine is a dipeptide composed of hydroxyproline and asparagine. It is an incomplete breakdown product of protein digestion or protein catabolism. Some dipeptides are known to have physiological or cell-signaling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis. This dipeptide has not yet been identified in human tissues or biofluids and so it is classified as an Expected metabolite.
N-Phenylacetyl pyroglutamic acid
(5S)-5-acetyl-1-(2-phenylacetyl)pyrrolidin-2-one
N-Phenylacetyl pyroglutamic acid belongs to the family of Phenethylamines. These are compounds containing a phenethylamine moiety, which consists of a phenyl group substituted at the second position by an ethan-1-amine.
(1R,2S,3R)-1-[(2E)-2-(1-Nitrosoethylidene)-1,3-dihydroimidazol-4-yl]butane-1,2,3,4-tetrol
(1R,2S,3R)-1-[(2E)-2-(1-Nitrosoethylidene)-1,3-dihydroimidazol-4-yl]butane-1,2,3,4-tetrol
4-(E)-Ethyl-2-((E)-hydroxyimino)-5-nitro-3-hexeneamide
4-ethyl-2-(hydroxyimino)-6-methoxy-5-nitrohex-3-enamide
indole-3-acetyl-alanine
N-(1-Carboxyethyl)-2-(1H-indol-3-yl)ethanecarboximidic acid
Indole-3-acetyl-alanine is also known as iaa-ala. Indole-3-acetyl-alanine is practically insoluble (in water) and a weakly acidic compound (based on its pKa). Indole-3-acetyl-alanine can be found in a number of food items such as yellow pond-lily, bean, black cabbage, and italian sweet red pepper, which makes indole-3-acetyl-alanine a potential biomarker for the consumption of these food products.
3-(3-phenylpropanoyl)-7-oxa-3-aza-bicyclo[4.1.0]heptan-2-one|kaousine
3-(3-phenylpropanoyl)-7-oxa-3-aza-bicyclo[4.1.0]heptan-2-one|kaousine
Acetic acid [2,3-dimethyl-4-oxoquinolin-1(4H)-yl]methyl ester
Acetic acid [2,3-dimethyl-4-oxoquinolin-1(4H)-yl]methyl ester
2-(((3,4,5)-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl)oxymethyl)acrylonitrile
2-(((3,4,5)-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl)oxymethyl)acrylonitrile
3-(4-hydroxyphenyl)-4-isobutyl-1h-pyrrole-2,5-dione
3-(4-hydroxyphenyl)-4-isobutyl-1h-pyrrole-2,5-dione
2,3-Dihydro-6-Methoxy-4-Methyl-2-Hydroxyethylfuro[3,2-c]quinoline
"NCGC00160249-01!2,3-Dihydro-6-Methoxy-4-Methyl-2-Hydroxyethylfuro[3,2-c]quinoline"
FEN_246.1101_16.1
N-(alpha-Methyl-m-trifluoromethylphenethyl)acetamide
CONFIDENCE Tentative identification: most likely structure (Level 3); INTERNAL_ID 604
2-(trans-4-Hydroxycyclohexyl)isoindoline-1,3-dione
2-(trans-4-Hydroxycyclohexyl)isoindoline-1,3-dione
ethyl 5-(4-aminophenyl)-2-methylfuran-3-carboxylate
ethyl 5-(4-aminophenyl)-2-methylfuran-3-carboxylate
6-METHOXY-2-METHYLQUINOLINE-3-CARBOXYLIC ACID ETHYL ESTER
6-METHOXY-2-METHYLQUINOLINE-3-CARBOXYLIC ACID ETHYL ESTER
1-Phenyl-1,2,3,4-tetrahydroisoquinoline hydrochloride
1-Phenyl-1,2,3,4-tetrahydroisoquinoline hydrochloride
benzyl 5-oxo-2-azabicyclo[2.2.1]heptane-2-carboxylate
benzyl 5-oxo-2-azabicyclo[2.2.1]heptane-2-carboxylate
ethyl 2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetate
ethyl 2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetate
methyl 6-(dimethylamino)-4-hydroxynaphthalene-2-carboxylate
methyl 6-(dimethylamino)-4-hydroxynaphthalene-2-carboxylate
Benzenepropanoic acid, a-(2-cyanoethyl)-b-oxo-, ethyl ester
Benzenepropanoic acid, a-(2-cyanoethyl)-b-oxo-, ethyl ester
3-(2-HYDROXY-4,6-DIMETHYL-QUINOLIN-3-YL)-PROPIONIC ACID
3-(2-HYDROXY-4,6-DIMETHYL-QUINOLIN-3-YL)-PROPIONIC ACID
Benzyl 2-methyl-4-oxo-3,4-dihydropyridine-1(2H)-carboxylate
Benzyl 2-methyl-4-oxo-3,4-dihydropyridine-1(2H)-carboxylate
METHYL 2-HYDROXY-4-ISOPROPYL-3-QUINOLINECARBOXYLATE
METHYL 2-HYDROXY-4-ISOPROPYL-3-QUINOLINECARBOXYLATE
METHYL 1-(4-METHOXYBENZYL)-1H-PYRROLE-2-CARBOXYLATE
METHYL 1-(4-METHOXYBENZYL)-1H-PYRROLE-2-CARBOXYLATE
3-AMINO-3-(2-METHOXY-NAPHTHALEN-1-YL)-PROPIONIC ACID
3-AMINO-3-(2-METHOXY-NAPHTHALEN-1-YL)-PROPIONIC ACID
2,2-dimethyl-2,3-dihydro-1H,10H-phenothiazin-4-one
2,2-dimethyl-2,3-dihydro-1H,10H-phenothiazin-4-one
5-HYDRAZINOCARBONYL-3H-IMIDAZOLE-4-CARBOXYLIC ACID PHENYLAMIDE
5-HYDRAZINOCARBONYL-3H-IMIDAZOLE-4-CARBOXYLIC ACID PHENYLAMIDE
1-(4-methoxyphenyl)-2-(trifluoromethyl)pyrrolidine
1-(4-methoxyphenyl)-2-(trifluoromethyl)pyrrolidine
METHYL 4-(N-CYCLOPROPYLAMINOCARBONYL)CUBANECARBOXYLATE
METHYL 4-(N-CYCLOPROPYLAMINOCARBONYL)CUBANECARBOXYLATE
4-Phenyl-1,2,3,4-tetrahydroisoquinoline hydrochloride
4-Phenyl-1,2,3,4-tetrahydroisoquinoline hydrochloride
(6-METHYL-1H-BENZIMIDAZOL-2-YL)METHOXY]-ACETIC ACID
(6-METHYL-1H-BENZIMIDAZOL-2-YL)METHOXY]-ACETIC ACID
METHYL 2-BENZOYL-2-AZABICYCLO[2.1.1]HEXANE-1-CARBOXYLATE
METHYL 2-BENZOYL-2-AZABICYCLO[2.1.1]HEXANE-1-CARBOXYLATE
5(4H)-Oxazolone,2-(2-acetylphenyl)-4-(1-methylethyl)-
5(4H)-Oxazolone,2-(2-acetylphenyl)-4-(1-methylethyl)-
N-(2,2-DIMETHYLPROPANOYL)-3-(TRIFLUOROMETHYL)ANILINE
N-(2,2-DIMETHYLPROPANOYL)-3-(TRIFLUOROMETHYL)ANILINE
ethyl 6,8-dimethyl-4-oxo-1H-quinoline-3-carboxylate
ethyl 6,8-dimethyl-4-oxo-1H-quinoline-3-carboxylate
ETHYL 4-HYDROXY-7,8-DIMETHYLQUINOLINE-3-CARBOXYLATE
ETHYL 4-HYDROXY-7,8-DIMETHYLQUINOLINE-3-CARBOXYLATE
4-HYDROXY-6,8-DIMETHYLQUINOLINE-3-CARBOXYLICETHYLESTER
4-HYDROXY-6,8-DIMETHYLQUINOLINE-3-CARBOXYLICETHYLESTER
METHYL [5-METHYL-2-(4-METHYLPHENYL)-1,3-OXAZOL-4-YL]ACETATE
METHYL [5-METHYL-2-(4-METHYLPHENYL)-1,3-OXAZOL-4-YL]ACETATE
5(4H)-Oxazolone,2-phenyl-4-(tetrahydro-2H-pyran-4-yl)-
5(4H)-Oxazolone,2-phenyl-4-(tetrahydro-2H-pyran-4-yl)-
3-amino-3-(4-methoxynaphthalen-1-yl)propanoic acid
3-amino-3-(4-methoxynaphthalen-1-yl)propanoic acid
5-BENZYL-4,5,6,7-TETRAHYDRO-THIAZOLO[5,4-C]PYRIDIN-2-YLAMINE
5-BENZYL-4,5,6,7-TETRAHYDRO-THIAZOLO[5,4-C]PYRIDIN-2-YLAMINE
benzyl 3-oxa-2-azabicyclo[2.2.1]hept-5-ene-2-carboxylate
benzyl 3-oxa-2-azabicyclo[2.2.1]hept-5-ene-2-carboxylate
4-(4-methoxyphenyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine
4-(4-methoxyphenyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine
5-AZIDO-5-DEOXY-1,2-O-ISOPROPYLIDENE-BETA-D-FRUCTOSE
5-AZIDO-5-DEOXY-1,2-O-ISOPROPYLIDENE-BETA-D-FRUCTOSE
2-(2-ETHYL-PHENYL)-OXAZOLE-4-CARBOXYLIC ACID ETHYL ESTER
2-(2-ETHYL-PHENYL)-OXAZOLE-4-CARBOXYLIC ACID ETHYL ESTER
4-hydroxy-5,8-dimethyl-quinoline-3-carboxylic acid ethyl ester
4-hydroxy-5,8-dimethyl-quinoline-3-carboxylic acid ethyl ester
(3S,4R)-4-(4-Fluorophenyl)piperidine-3-Methanol Hydrochloride
(3S,4R)-4-(4-Fluorophenyl)piperidine-3-Methanol Hydrochloride
1,8-diamino-3,6-dimethoxy-2,7-naphthyridine-4-carbonitrile
1,8-diamino-3,6-dimethoxy-2,7-naphthyridine-4-carbonitrile
(3-((FURAN-2-YLMETHYL)CARBAMOYL)PHENYL)BORONIC ACID
(3-((FURAN-2-YLMETHYL)CARBAMOYL)PHENYL)BORONIC ACID
3-(5-(4-METHOXYPHENYL)-1H-PYRROL-2-YL)PROPANOIC ACID
3-(5-(4-METHOXYPHENYL)-1H-PYRROL-2-YL)PROPANOIC ACID
4-HYDROXY-5,7-DIMETHYL-QUINOLINE-3-CARBOXYLIC ACID ETHYL ESTER
4-HYDROXY-5,7-DIMETHYL-QUINOLINE-3-CARBOXYLIC ACID ETHYL ESTER
4-ISOXAZOLECARBOXYLIC ACID, 5-METHYL-3-(4-ETHYLPHENYL)-,ETHYL ESTER
4-ISOXAZOLECARBOXYLIC ACID, 5-METHYL-3-(4-ETHYLPHENYL)-,ETHYL ESTER
1-(4-(1,2,3,4-Tetrahydroxybutyl)-1H-imidazol-2-yl)ethanone oxime
1-(4-(1,2,3,4-Tetrahydroxybutyl)-1H-imidazol-2-yl)ethanone oxime
Centanafadine Hydrochloride
Centanafadine Hydrochloride
C78272 - Agent Affecting Nervous System Centanafadine (hydrochloride) is dual norepinephrine (NE)/dopamine (DA) transporter inhibitor, also inhibits serotonin transporter, with IC50s of 6 nM, 38 nM and 83 nM for human NE, DA and serotonin transporter , respectively.
Glycine, N-[N-(N-acetylglycyl)glycyl]-, methyl ester
Glycine, N-[N-(N-acetylglycyl)glycyl]-, methyl ester
N-[5-Hydroxy-5-(hydroxymethyl)-2-methoxy-3-oxo-1-cyclohexen-1-yl]glycine
N-[5-Hydroxy-5-(hydroxymethyl)-2-methoxy-3-oxo-1-cyclohexen-1-yl]glycine
6-[2-Oxo-5-(sulfanylmethyl)imidazolidin-4-yl]hexanoate
6-[2-Oxo-5-(sulfanylmethyl)imidazolidin-4-yl]hexanoate
(E,2Z)-4-ethyl-2-hydroxyimino-6-methoxy-5-nitrohex-3-enamide
(E,2Z)-4-ethyl-2-hydroxyimino-6-methoxy-5-nitrohex-3-enamide
1-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]-1H-imidazol-5-yl]butane-1,2,3,4-tetrol
1-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]-1H-imidazol-5-yl]butane-1,2,3,4-tetrol
2-(Methylthio)-4-phenyl-6-propan-2-yl-1,3,5-triazine
2-(Methylthio)-4-phenyl-6-propan-2-yl-1,3,5-triazine
4-Oxo-4-(5,6,7,8-tetrahydronaphthalen-1-ylamino)but-2-enoic acid
4-Oxo-4-(5,6,7,8-tetrahydronaphthalen-1-ylamino)but-2-enoic acid
2-[2-Oxo-2-[2-(2-oxoimidazolidin-1-yl)ethylamino]ethoxy]acetic acid
2-[2-Oxo-2-[2-(2-oxoimidazolidin-1-yl)ethylamino]ethoxy]acetic acid
(3E)-5-ethyl-3-[(N-methylanilino)methylidene]thiophen-2-one
(3E)-5-ethyl-3-[(N-methylanilino)methylidene]thiophen-2-one
3-amino-8-methoxy-2-methyl-5H-pyrimido[5,4-b]indol-1-ium-4-one
3-amino-8-methoxy-2-methyl-5H-pyrimido[5,4-b]indol-1-ium-4-one
Methanol, (2,3-dihydro-6-methoxy-4-methyl-2-furo[3,2-c]quinolinyl)-
Methanol, (2,3-dihydro-6-methoxy-4-methyl-2-furo[3,2-c]quinolinyl)-
4-(2-amino-5-oxoimidazol-4-yl)-4,5,6,7-tetrahydro-1H-pyrrolo[2,3-c]azepin-8-one
4-(2-amino-5-oxoimidazol-4-yl)-4,5,6,7-tetrahydro-1H-pyrrolo[2,3-c]azepin-8-one
1-(2,4-Diamino-4-oxobutanoyl)-4-hydroxypyrrolidine-2-carboxylic acid
1-(2,4-Diamino-4-oxobutanoyl)-4-hydroxypyrrolidine-2-carboxylic acid
N-acetyl-L-tryptophanate
N-acetyl-L-tryptophanate
A monocarboxylic acid anion that is the conjugate base of N-acetyl-L-tryptophan, obtained by the deprotonation of the carboxy group; major species at pH 7.3.
N-acetyltryptophanate
N-acetyltryptophanate
A monocarboxylic acid anion which is obtained by deprotonation of the carboxy group of N-acetyltryptophan.
2-(2-hydroxypropan-2-yl)-2h,3h-furo[2,3-b]quinolin-6-ol
2-(2-hydroxypropan-2-yl)-2h,3h-furo[2,3-b]quinolin-6-ol
(3r)-3-hydroxy-2,2,9-trimethyl-3h-furo[2,3-b]quinolin-4-one
(3r)-3-hydroxy-2,2,9-trimethyl-3h-furo[2,3-b]quinolin-4-one
2-imino-5-{8-oxo-1h,5h,6h,7h-pyrrolo[2,3-c]azepin-4-ylidene}imidazolidin-4-one
2-imino-5-{8-oxo-1h,5h,6h,7h-pyrrolo[2,3-c]azepin-4-ylidene}imidazolidin-4-one
5-[(4e)-8-hydroxy-1h,5h,6h-pyrrolo[2,3-c]azepin-4-ylidene]-2-imino-1h-imidazol-4-ol
5-[(4e)-8-hydroxy-1h,5h,6h-pyrrolo[2,3-c]azepin-4-ylidene]-2-imino-1h-imidazol-4-ol
(1s,6s)-3-(3-phenylpropanoyl)-7-oxa-3-azabicyclo[4.1.0]heptan-2-one
(1s,6s)-3-(3-phenylpropanoyl)-7-oxa-3-azabicyclo[4.1.0]heptan-2-one
2-({[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)prop-2-enenitrile
2-({[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)prop-2-enenitrile
5-hydroxy-2-(methoxymethyl)-4-methyl-1h,6h,7h-cyclopenta[g]indol-8-one
5-hydroxy-2-(methoxymethyl)-4-methyl-1h,6h,7h-cyclopenta[g]indol-8-one
4-hydroxy-1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methyl-6h-1,3,5-triazin-2-one
4-hydroxy-1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methyl-6h-1,3,5-triazin-2-one
(2z)-4-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}but-2-enenitrile
(2z)-4-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}but-2-enenitrile
5-(hydroxymethyl)-1-[2-(4-hydroxyphenyl)ethyl]pyrrole-2-carbaldehyde
5-(hydroxymethyl)-1-[2-(4-hydroxyphenyl)ethyl]pyrrole-2-carbaldehyde
5-hydroxy-3-(4-hydroxyphenyl)-4-(2-methylpropyl)pyrrol-2-one
5-hydroxy-3-(4-hydroxyphenyl)-4-(2-methylpropyl)pyrrol-2-one
3-hydroxy-2,2,9-trimethyl-3h-furo[2,3-b]quinolin-4-one
3-hydroxy-2,2,9-trimethyl-3h-furo[2,3-b]quinolin-4-one
{[(5r)-5-hydroxy-5-(hydroxymethyl)-2-methoxy-3-oxocyclohex-1-en-1-yl]amino}acetic acid
{[(5r)-5-hydroxy-5-(hydroxymethyl)-2-methoxy-3-oxocyclohex-1-en-1-yl]amino}acetic acid
2-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)prop-2-enenitrile
2-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)prop-2-enenitrile
1-[(2e)-3-(4-methoxyphenyl)prop-2-enoyl]pyrrolidin-2-one
1-[(2e)-3-(4-methoxyphenyl)prop-2-enoyl]pyrrolidin-2-one
3-(3-phenylpropanoyl)-7-oxa-3-azabicyclo[4.1.0]heptan-2-one
3-(3-phenylpropanoyl)-7-oxa-3-azabicyclo[4.1.0]heptan-2-one
1-[3-(4-methoxyphenyl)prop-2-enoyl]pyrrolidin-2-one
1-[3-(4-methoxyphenyl)prop-2-enoyl]pyrrolidin-2-one
4-hydroxy-1-[(2r,4s,5r)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methyl-6h-1,3,5-triazin-2-one
4-hydroxy-1-[(2r,4s,5r)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methyl-6h-1,3,5-triazin-2-one
1-[(2z)-3-(4-methoxyphenyl)prop-2-enoyl]pyrrolidin-2-one
1-[(2z)-3-(4-methoxyphenyl)prop-2-enoyl]pyrrolidin-2-one
1,2-dihydroxy-1,2-dimethyl-4,9-dihydrocarbazol-3-one
1,2-dihydroxy-1,2-dimethyl-4,9-dihydrocarbazol-3-one
5-{[2-(4-hydroxyphenyl)ethoxy]methyl}-1h-pyrrole-2-carbaldehyde
5-{[2-(4-hydroxyphenyl)ethoxy]methyl}-1h-pyrrole-2-carbaldehyde
(2z)-4-{[(2r,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}but-2-enenitrile
(2z)-4-{[(2r,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}but-2-enenitrile
(1r,2s)-1,2-dihydroxy-1,2-dimethyl-4,9-dihydrocarbazol-3-one
(1r,2s)-1,2-dihydroxy-1,2-dimethyl-4,9-dihydrocarbazol-3-one
5-[(4z)-8-hydroxy-1h,5h,6h-pyrrolo[2,3-c]azepin-4-ylidene]-2-imino-1h-imidazol-4-ol
5-[(4z)-8-hydroxy-1h,5h,6h-pyrrolo[2,3-c]azepin-4-ylidene]-2-imino-1h-imidazol-4-ol
4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}but-2-enenitrile
4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}but-2-enenitrile
3-(2h-1,3-benzodioxol-5-yl)-1-(pyrrolidin-1-yl)prop-2-en-1-one
3-(2h-1,3-benzodioxol-5-yl)-1-(pyrrolidin-1-yl)prop-2-en-1-one
(2e)-3-(2h-1,3-benzodioxol-5-yl)-1-(pyrrolidin-1-yl)prop-2-en-1-one
(2e)-3-(2h-1,3-benzodioxol-5-yl)-1-(pyrrolidin-1-yl)prop-2-en-1-one
