Exact Mass: 316.0687
Exact Mass Matches: 316.0687
Found 90 metabolites which its exact mass value is equals to given mass value 316.0687,
within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error
0.001 dalton.
2-(4-Chlorophenyl)-3-phenyl-3-(2-pyridinyl)acrylonitrile
2-(4-Chlorophenyl)-3-phenyl-3-(2-pyridinyl)acrylonitrile
2-S-cysteinyl-DOPA
(2R)-2-amino-3-({6-[(2S)-2-amino-2-carboxyethyl]-2,3-dihydroxyphenyl}sulfanyl)propanoic acid
2-S-cysteinyl-DOPA, also known as 2-S-Cysteinyl-3,4-dihydroxyphenylalanine or 2-S-Cysteinyldopa, is classified as a tyrosine or a Tyrosine derivative. Tyrosines are compounds containing tyrosine or a derivative thereof resulting from reaction of tyrosine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom. 2-S-cysteinyl-DOPA is considered to be slightly soluble (in water) and acidic
4'-Hydroxyclobazam
7-chloro-5-(4-hydroxyphenyl)-1-methyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-2,4-dione
4-Hydroxyclobazam is a metabolite of clobazam. Clobazam (marketed under the brand names Frisium, Urbanol and Onfi), is a drug which is a benzodiazepine derivative. It has been marketed as an anxiolytic since 1975 and an anticonvulsant since 1984. (Wikipedia)
5-S-Cysteinyl-D-dopa
2-amino-3-{[5-(2-amino-2-carboxyethyl)-2,3-dihydroxyphenyl]sulfanyl}propanoic acid
2,7-Difluoro-4-methoxyspiro[fluorene-9,5'-imidazolidine]-2',4'-dione
2,7-Difluoro-4-methoxyspiro-(9H-fluorene-9,4-imidazolidine)-2,5-dione
4-(4-Fluorobenzyl)-2-p-tolyl-1,2,4-thiadiazolidine-3,5-dione
4-[(4-fluorophenyl)methyl]-2-(4-methylphenyl)-1,2,4-thiadiazolidine-3,5-dione
5-(1,2-Diacetoxyethyl)-2-(E)-hept-5-ene-1,3-diynylthiophene
5-(1,2-Diacetoxyethyl)-2-(E)-hept-5-ene-1,3-diynylthiophene
5-but-3-en-1-ynyl-5-isobutyryloxymethyl-[2,2]bithiophenyl
5-but-3-en-1-ynyl-5-isobutyryloxymethyl-[2,2]bithiophenyl
SPA-5DC (TENTATIVE)
SPA-5DC (TENTATIVE)
TENTATIVELY IDENTIFIED SPECTRUM ONLY!!!!!!!!!; Extracted (without noise removal) from HAL_N: mz315_05_rt4_87_HCD60_SPA-5DC; CONFIDENCE Tentative identification: isomers possible (Level 3)
2-[[(Trifluoromethyl)sulfonyl]oxy]-1-cycloheptene-1-carboxylic acid ethyl ester
2-[[(Trifluoromethyl)sulfonyl]oxy]-1-cycloheptene-1-carboxylic acid ethyl ester
4-AMINO-1-N-BOC-5,7-DICHLORO-1,2,3,4-TETRAHYDROQUINOLINE
4-AMINO-1-N-BOC-5,7-DICHLORO-1,2,3,4-TETRAHYDROQUINOLINE
1,6-Anhydro-4-O-p-toluenesulfonyl-β-D-glucopyranose
1,6-Anhydro-4-O-p-toluenesulfonyl-β-D-glucopyranose
Ethyl 2-(1,3-benzothiazol-2-ylamino)-6-oxo-1,6-dihydro-5-pyrimidi necarboxylate
Ethyl 2-(1,3-benzothiazol-2-ylamino)-6-oxo-1,6-dihydro-5-pyrimidi necarboxylate
2-Chloro-N-[4-(piperidine-1-sulfonyl)-phenyl]-acetamide
2-Chloro-N-[4-(piperidine-1-sulfonyl)-phenyl]-acetamide
5-(1-Carboxyethyl)-2-(phenylthio)phenylacetic acid
5-(1-Carboxyethyl)-2-(phenylthio)phenylacetic acid
(1-Tosyl-1H-pyrrolo[2,3-b]pyridin-3-yl)boronic acid
(1-Tosyl-1H-pyrrolo[2,3-b]pyridin-3-yl)boronic acid
Methyl-2-C-(trifluoromethyl)-alpha-D-ribofuranoside-3,5-diacetate
Methyl-2-C-(trifluoromethyl)-alpha-D-ribofuranoside-3,5-diacetate
2-(1-benzofuran-3-yl)ethyl 4-methylbenzenesulfonate
2-(1-benzofuran-3-yl)ethyl 4-methylbenzenesulfonate
2-CHLORO-1-[1-(TRIFLUOROMETHYL)-1,3,4,9-TETRAHYDRO-2H-BETA-CARBOLIN-2-YL]ETHAN-1-ONE
2-CHLORO-1-[1-(TRIFLUOROMETHYL)-1,3,4,9-TETRAHYDRO-2H-BETA-CARBOLIN-2-YL]ETHAN-1-ONE
Spiro(9H-fluorene-9,4-imidazolidine)-2,5-dione, 2,7-difluoro-4-methoxy-
Spiro(9H-fluorene-9,4-imidazolidine)-2,5-dione, 2,7-difluoro-4-methoxy-
(4aR,5S,8R)-9-(pyridin-3-yl)-3,4a,5,6,7,8,8a,9-octahydro-2H-5,8-methanothiochromeno[2,3-d]thiazol-2-one
(4aR,5S,8R)-9-(pyridin-3-yl)-3,4a,5,6,7,8,8a,9-octahydro-2H-5,8-methanothiochromeno[2,3-d]thiazol-2-one
2-chloro-N-(2-methyl-6-oxo-5H-benzo[b][1,4]benzoxazepin-8-yl)acetamide
2-chloro-N-(2-methyl-6-oxo-5H-benzo[b][1,4]benzoxazepin-8-yl)acetamide
2-Chloro-3-pyridinecarboxylic acid [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] ester
2-Chloro-3-pyridinecarboxylic acid [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] ester
(2R,3R,4R)-1-[(2R)-2,4-dihydroxy-3-(trioxido-lambda4-sulfanyl)oxybutyl]-2-(hydroxymethyl)pyrrolidine-3,4-diol
(2R,3R,4R)-1-[(2R)-2,4-dihydroxy-3-(trioxido-lambda4-sulfanyl)oxybutyl]-2-(hydroxymethyl)pyrrolidine-3,4-diol
(2S)-2-azaniumyl-3-[2-[(2R)-2-azaniumyl-2-carboxylatoethyl]sulfanyl-3,4-dihydroxyphenyl]propanoate
(2S)-2-azaniumyl-3-[2-[(2R)-2-azaniumyl-2-carboxylatoethyl]sulfanyl-3,4-dihydroxyphenyl]propanoate
N-(4-chloro-2,5-dimethoxyphenyl)morpholine-4-carbothioamide
N-(4-chloro-2,5-dimethoxyphenyl)morpholine-4-carbothioamide
N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-5-methyl-3-isoxazolecarboxamide
N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-5-methyl-3-isoxazolecarboxamide
(4-Methyl-1-piperazinyl)-(2-thieno[3,2-b][1]benzothiolyl)methanone
(4-Methyl-1-piperazinyl)-(2-thieno[3,2-b][1]benzothiolyl)methanone
N-[(5-fluoro-8-hydroxy-7-quinolinyl)-thiophen-2-ylmethyl]acetamide
N-[(5-fluoro-8-hydroxy-7-quinolinyl)-thiophen-2-ylmethyl]acetamide
N-[(5-chloro-8-hydroxy-7-quinolinyl)-(2-furanyl)methyl]acetamide
N-[(5-chloro-8-hydroxy-7-quinolinyl)-(2-furanyl)methyl]acetamide
2-Amino-7-methyl-4-phenyl-thieno[2,3-b;4,5-b]dipyridine-3-carbonitrile
2-Amino-7-methyl-4-phenyl-thieno[2,3-b;4,5-b]dipyridine-3-carbonitrile
3-Ethyl-5-(1-ethyl-1H-quinolin-2-ylidene)-2-thioxo-thiazolidin-4-one
3-Ethyl-5-(1-ethyl-1H-quinolin-2-ylidene)-2-thioxo-thiazolidin-4-one
4,5-dimethyl-2-[4-(3-nitrophenyl)-2-thiazolyl]-1H-pyrazol-3-one
4,5-dimethyl-2-[4-(3-nitrophenyl)-2-thiazolyl]-1H-pyrazol-3-one
4-[1-[(3-Chlorophenyl)methylamino]ethylidene]-2-(2-furanyl)-5-oxazolone
4-[1-[(3-Chlorophenyl)methylamino]ethylidene]-2-(2-furanyl)-5-oxazolone
N-(6-butyl-1,3-benzothiazol-2-yl)-2-thiophenecarboxamide
N-(6-butyl-1,3-benzothiazol-2-yl)-2-thiophenecarboxamide
2-S-cysteinyl-DOPA
2-S-cysteinyl-DOPA
An L-tyrosine derivative that is L-DOPA in which the hydrogen at position 2 on the phenyl ring is replaced by a cysteinyl group. Found in the urine of patients with melanoma.
2-Amino-3-[[5-(2-amino-2-carboxyethyl)-2,3-dihydroxyphenyl]thio]propionic acid
2-Amino-3-[[5-(2-amino-2-carboxyethyl)-2,3-dihydroxyphenyl]thio]propionic acid
McN-A-343
McN-A-343
McN-A-343 is a selective M1 muscarinic agonist that stimulates muscarinic transmission in sympathetic ganglia. McN-A-343 reduces inflammation and oxidative stress in an experimental model of ulcerative colitis[1][2]. McN-A-343 is a click chemistry reagent, it contains an Alkyne group and can undergo copper-catalyzed azide-alkyne cycloaddition (CuAAc) with molecules containing Azide groups.
(1r)-2-(acetyloxy)-1-{5-[(5e)-hept-5-en-1,3-diyn-1-yl]thiophen-2-yl}ethyl acetate
(1r)-2-(acetyloxy)-1-{5-[(5e)-hept-5-en-1,3-diyn-1-yl]thiophen-2-yl}ethyl acetate
8-bromo-9-chloro-1,2,5,9-tetramethylspiro[5.5]undeca-1,4-diene
8-bromo-9-chloro-1,2,5,9-tetramethylspiro[5.5]undeca-1,4-diene
(3as,3a¹s)-4,9-dihydroxy-3a,3a¹-dihydroperylene-3,10-dione
(3as,3a¹s)-4,9-dihydroxy-3a,3a¹-dihydroperylene-3,10-dione
9-hydroxy-12-(6-hydroxyhexa-1,3-dien-1-yl)-4-methyl-11-oxa-3-thiatricyclo[6.4.0.0²,⁶]dodeca-1,4,6,8-tetraen-10-one
9-hydroxy-12-(6-hydroxyhexa-1,3-dien-1-yl)-4-methyl-11-oxa-3-thiatricyclo[6.4.0.0²,⁶]dodeca-1,4,6,8-tetraen-10-one
2-(acetyloxy)-2-[5-(hept-5-en-1,3-diyn-1-yl)thiophen-2-yl]ethyl acetate
2-(acetyloxy)-2-[5-(hept-5-en-1,3-diyn-1-yl)thiophen-2-yl]ethyl acetate
(1s)-2-(acetyloxy)-1-{5-[(5e)-hept-5-en-1,3-diyn-1-yl]thiophen-2-yl}ethyl acetate
(1s)-2-(acetyloxy)-1-{5-[(5e)-hept-5-en-1,3-diyn-1-yl]thiophen-2-yl}ethyl acetate
9-hydroxy-12-[(1z,3e)-6-hydroxyhexa-1,3-dien-1-yl]-4-methyl-11-oxa-3-thiatricyclo[6.4.0.0²,⁶]dodeca-1,4,6,8-tetraen-10-one
9-hydroxy-12-[(1z,3e)-6-hydroxyhexa-1,3-dien-1-yl]-4-methyl-11-oxa-3-thiatricyclo[6.4.0.0²,⁶]dodeca-1,4,6,8-tetraen-10-one
2-(acetyloxy)-2-{5-[(5e)-hept-5-en-1,3-diyn-1-yl]thiophen-2-yl}ethyl acetate
2-(acetyloxy)-2-{5-[(5e)-hept-5-en-1,3-diyn-1-yl]thiophen-2-yl}ethyl acetate
9-hydroxy-12-[(1z,3z)-6-hydroxyhexa-1,3-dien-1-yl]-4-methyl-11-oxa-3-thiatricyclo[6.4.0.0²,⁶]dodeca-1,4,6,8-tetraen-10-one
9-hydroxy-12-[(1z,3z)-6-hydroxyhexa-1,3-dien-1-yl]-4-methyl-11-oxa-3-thiatricyclo[6.4.0.0²,⁶]dodeca-1,4,6,8-tetraen-10-one
[5'-(but-3-en-1-yn-1-yl)-[2,2'-bithiophen]-5-yl]methyl 2-methylpropanoate
[5'-(but-3-en-1-yn-1-yl)-[2,2'-bithiophen]-5-yl]methyl 2-methylpropanoate
(6r,8r)-8-bromo-2-chloro-3,7,7-trimethyl-11-methylidenespiro[5.5]undec-2-ene
(6r,8r)-8-bromo-2-chloro-3,7,7-trimethyl-11-methylidenespiro[5.5]undec-2-ene
(6r,8s)-8-bromo-2-chloro-3,7,7-trimethyl-11-methylidenespiro[5.5]undec-2-ene
(6r,8s)-8-bromo-2-chloro-3,7,7-trimethyl-11-methylidenespiro[5.5]undec-2-ene
10-hydroxy-14-methoxy-8-oxapentacyclo[10.6.2.0²,⁷.0⁹,¹⁹.0¹⁶,²⁰]icosa-1(18),2(7),3,5,9(19),10,12(20),13,16-nonaen-15-one
10-hydroxy-14-methoxy-8-oxapentacyclo[10.6.2.0²,⁷.0⁹,¹⁹.0¹⁶,²⁰]icosa-1(18),2(7),3,5,9(19),10,12(20),13,16-nonaen-15-one
(12s)-9-hydroxy-12-[(1e,3e)-6-hydroxyhexa-1,3-dien-1-yl]-4-methyl-11-oxa-3-thiatricyclo[6.4.0.0²,⁶]dodeca-1,4,6,8-tetraen-10-one
(12s)-9-hydroxy-12-[(1e,3e)-6-hydroxyhexa-1,3-dien-1-yl]-4-methyl-11-oxa-3-thiatricyclo[6.4.0.0²,⁶]dodeca-1,4,6,8-tetraen-10-one
5-hydroxy-2',4'-dioxaspiro[naphthalene-1,3'-tricyclo[7.3.1.0⁵,¹³]tridecane]-1'(13'),5',7',9',11'-pentaen-4-one
5-hydroxy-2',4'-dioxaspiro[naphthalene-1,3'-tricyclo[7.3.1.0⁵,¹³]tridecane]-1'(13'),5',7',9',11'-pentaen-4-one
