Exact Mass: 451.0508
Exact Mass Matches: 451.0508
Found 66 metabolites which its exact mass value is equals to given mass value 451.0508,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Glucoalyssin
5-Methylsulfinylpentyl glucosinolate
A thia-glucosinolic acid that is glucoberteroin in which the sulfur atom of the methyl thioether group has been oxidised to the corresponding sulfoxide. Acquisition and generation of the data is financially supported by the Max-Planck-Society
4-Phenylbutyl glucosinolate
{[(e)-(5-phenyl-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulphanyl}pentylidene)amino]oxy}sulphonic acid
4-Phenylbutyl glucosinolate is found in brassicas. 4-Phenylbutyl glucosinolate is present in horseradish (Armoracia lapathifolia). Present in horseradish (Armoracia lapathifolia). 4-Phenylbutyl glucosinolate is found in horseradish and brassicas.
(beta-1-O-[N-(2-formyl-3-chlorophenyl)anthraniloyl]-D-glucupyranuronic acid)
(2S,3S,4S,5R,6S)-6-{2-[(3-chloro-2-formylphenyl)amino]benzoyloxy}-3,4,5-trihydroxyoxane-2-carboxylic acid
(beta-1-O-[N-(2-formyl-3-chlorophenyl)anthraniloyl]-D-glucupyranuronic acid) belongs to the family of Glucuronides. These are compounds comprising the glucuronic acid linked to another substance via a glycosidic bond.
5-Chloro-N-(4-methoxy-3-(piperazin-1-yl)phenyl)-3-methylbenzo[b]thiophene-2-sulfonamide
5-Chloro-N-(4-methoxy-3-(piperazin-1-yl)phenyl)-3-methylbenzo[b]thiophene-2-sulphonamide
4-Methylsulfonyl-3-butenyl glucosinolate
{[(e)-[(4E)-5-methanesulphonyl-1-{[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulphanyl}pent-4-en-1-ylidene]amino]oxy}sulphonic acid
4-methylsulfonyl-3-butenyl glucosinolate is a member of the class of compounds known as alkylglucosinolates. Alkylglucosinolates are organic compounds containing a glucosinolate moiety that carries an alkyl chain. 4-methylsulfonyl-3-butenyl glucosinolate is slightly soluble (in water) and an extremely strong acidic compound (based on its pKa). 4-methylsulfonyl-3-butenyl glucosinolate can be found in radish, which makes 4-methylsulfonyl-3-butenyl glucosinolate a potential biomarker for the consumption of this food product.
beta-D-Glucopyranose,1-thio-,1-(5-(methylsulfinyl)-N-(sulfooxy)-4-pentenimidate
beta-D-Glucopyranose,1-thio-,1-(5-(methylsulfinyl)-N-(sulfooxy)-4-pentenimidate
Acquisition and generation of the data is financially supported by the Max-Planck-Society
1-<(caffeoyloxy)(carboxy)methoxy>-1H-pyrrole-2,3,5-tricarboxylic acid|1-[(caffeoyloxy)(carboxy)methoxy]-1H-pyrrole-2,3,5-tricarboxylic acid|1-[Caffeoyloxy(carboxy)methoxy]-1H-pyrrole-2,3,4-tricarboxylix acid
1-<(caffeoyloxy)(carboxy)methoxy>-1H-pyrrole-2,3,5-tricarboxylic acid|1-[(caffeoyloxy)(carboxy)methoxy]-1H-pyrrole-2,3,5-tricarboxylic acid|1-[Caffeoyloxy(carboxy)methoxy]-1H-pyrrole-2,3,4-tricarboxylix acid
4-Phenylbutyl glucosinolate
{[(E)-(5-phenyl-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl}pentylidene)amino]oxy}sulfonic acid
2-Thiophenecarboxamide, 5-chloro-N-[(1R)-1-(methoxymethyl)-2-[[3-methyl-4-(3-oxo-4-morpholinyl)phenyl]amino]-2-oxoethyl]-
2-Thiophenecarboxamide, 5-chloro-N-[(1R)-1-(methoxymethyl)-2-[[3-methyl-4-(3-oxo-4-morpholinyl)phenyl]amino]-2-oxoethyl]-
5-Amino-2-[2-[4-(4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)-2-sulphophenyl]vinyl]benzenesulphonic acid
5-Amino-2-[2-[4-(4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)-2-sulphophenyl]vinyl]benzenesulphonic acid
1H-BenziMidazole, 2-[[[3-Methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]Methyl]sulfinyl]-1-(2,2,2-trifluoroethyl)-
1H-BenziMidazole, 2-[[[3-Methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]Methyl]sulfinyl]-1-(2,2,2-trifluoroethyl)-
1-(4-chlorophenyl)-6-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]thio]-2H-pyrazolo[3,4-d]pyrimidin-4-one
1-(4-chlorophenyl)-6-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]thio]-2H-pyrazolo[3,4-d]pyrimidin-4-one
(1,10 Phenanthroline)-(tri-carbon monoxide) rhenium (I)
(1,10 Phenanthroline)-(tri-carbon monoxide) rhenium (I)
[[(E)-5-methylsulfinyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-sulfanyloxan-2-yl]pent-4-enoyl]amino] hydrogen sulfate
[[(E)-5-methylsulfinyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-sulfanyloxan-2-yl]pent-4-enoyl]amino] hydrogen sulfate
[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1Z)-6-methylsulfinyl-N-sulfooxyhexanimidothioate
[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1Z)-6-methylsulfinyl-N-sulfooxyhexanimidothioate
beta-D-Glucopyranose, 1-thio-, 1-(6-(methylsulfinyl)-N-(sulfooxy)hexanimidate)
beta-D-Glucopyranose, 1-thio-, 1-(6-(methylsulfinyl)-N-(sulfooxy)hexanimidate)
5-[(4-Fluorophenyl)methyl]-7-(4-methylphenyl)sulfonyl-[1,3]dioxolo[4,5-g]quinolin-8-one
5-[(4-Fluorophenyl)methyl]-7-(4-methylphenyl)sulfonyl-[1,3]dioxolo[4,5-g]quinolin-8-one
5-Bromo-3-pyridinecarboxylic acid [3-(3-methylphenoxy)-4-oxo-1-benzopyran-7-yl] ester
5-Bromo-3-pyridinecarboxylic acid [3-(3-methylphenoxy)-4-oxo-1-benzopyran-7-yl] ester
6-(4-bromophenyl)-3-methyl-1-[2-(2H-tetrazol-5-yl)ethyl]-4-(trifluoromethyl)pyrazolo[3,4-b]pyridine
6-(4-bromophenyl)-3-methyl-1-[2-(2H-tetrazol-5-yl)ethyl]-4-(trifluoromethyl)pyrazolo[3,4-b]pyridine
5-chloro-2-[(4-methylphenyl)methylsulfonyl]-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-4-pyrimidinecarboxamide
5-chloro-2-[(4-methylphenyl)methylsulfonyl]-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-4-pyrimidinecarboxamide
5-chloro-2-[(3-methylphenyl)methylsulfonyl]-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-4-pyrimidinecarboxamide
5-chloro-2-[(3-methylphenyl)methylsulfonyl]-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-4-pyrimidinecarboxamide
[4-[5-Chloro-2-(3-chlorophenyl)-7-pyrazolo[1,5-a]pyrimidinyl]-1-piperazinyl]-phenylmethanone
[4-[5-Chloro-2-(3-chlorophenyl)-7-pyrazolo[1,5-a]pyrimidinyl]-1-piperazinyl]-phenylmethanone
3-[[4-(1,3-benzodioxol-5-yl)-6-(trifluoromethyl)-2-pyrimidinyl]thio]-N-(2-furanylmethyl)propanamide
3-[[4-(1,3-benzodioxol-5-yl)-6-(trifluoromethyl)-2-pyrimidinyl]thio]-N-(2-furanylmethyl)propanamide
N-(2-chlorophenyl)-4-[[(2-methoxy-4-nitroanilino)-sulfanylidenemethyl]hydrazo]-4-oxobutanamide
N-(2-chlorophenyl)-4-[[(2-methoxy-4-nitroanilino)-sulfanylidenemethyl]hydrazo]-4-oxobutanamide
3-(4-fluorophenyl)-1-[(6-oxo-5H-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]-1-(thiophen-2-ylmethyl)urea
3-(4-fluorophenyl)-1-[(6-oxo-5H-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]-1-(thiophen-2-ylmethyl)urea
3-[[2-[[6-Fluoro-2-(4-fluorophenyl)-4-quinazolinyl]thio]-1-oxoethyl]amino]benzoic acid
3-[[2-[[6-Fluoro-2-(4-fluorophenyl)-4-quinazolinyl]thio]-1-oxoethyl]amino]benzoic acid
2-[(4-cyanophenyl)methylthio]-N-(2-methoxyphenyl)-1,3-benzoxazole-5-sulfonamide
2-[(4-cyanophenyl)methylthio]-N-(2-methoxyphenyl)-1,3-benzoxazole-5-sulfonamide
5-bromo-N-[3-(dimethylamino)propyl]-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-2-thiophenecarboxamide
5-bromo-N-[3-(dimethylamino)propyl]-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-2-thiophenecarboxamide
(2R,4R,5R)-2-[4-(1-benzofuran-2-yl)-6-chloropyrimido[4,5-b]indol-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
(2R,4R,5R)-2-[4-(1-benzofuran-2-yl)-6-chloropyrimido[4,5-b]indol-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
2-amino-n-{[(2r,3s,4r,5r)-5-(6-amino-2-chloropurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxysulfonyl}propanimidic acid
2-amino-n-{[(2r,3s,4r,5r)-5-(6-amino-2-chloropurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxysulfonyl}propanimidic acid
1-[carboxy({[3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy})methoxy]pyrrole-2,3,5-tricarboxylic acid
1-[carboxy({[3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy})methoxy]pyrrole-2,3,5-tricarboxylic acid
(2s)-2-amino-n-{[(2r,3s,4r,5r)-5-(6-amino-2-chloropurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxysulfonyl}propanimidic acid
(2s)-2-amino-n-{[(2r,3s,4r,5r)-5-(6-amino-2-chloropurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxysulfonyl}propanimidic acid
4-[(2s)-2-{[(6-bromo-1h-indol-3-yl)(hydroxy)methylidene]amino}-2-carboxyethyl]-1,3-dimethyl-5-(methylsulfanyl)-2h-imidazol-2-yl
4-[(2s)-2-{[(6-bromo-1h-indol-3-yl)(hydroxy)methylidene]amino}-2-carboxyethyl]-1,3-dimethyl-5-(methylsulfanyl)-2h-imidazol-2-yl
5-(2-{[(6-bromo-1h-indol-3-yl)(hydroxy)methylidene]amino}-2-carboxyethyl)-1,3-dimethyl-4-(methylsulfanyl)imidazol-1-ium
5-(2-{[(6-bromo-1h-indol-3-yl)(hydroxy)methylidene]amino}-2-carboxyethyl)-1,3-dimethyl-4-(methylsulfanyl)imidazol-1-ium
methyl (5r,6s)-6,11,13-trihydroxy-9,19-dioxo-4,18-dioxa-17-azahexacyclo[15.6.1.0²,¹⁵.0³,¹².0⁵,¹⁰.0²⁰,²⁴]tetracosa-1(24),2(15),3(12),10,13,20,22-heptaene-5-carboxylate
methyl (5r,6s)-6,11,13-trihydroxy-9,19-dioxo-4,18-dioxa-17-azahexacyclo[15.6.1.0²,¹⁵.0³,¹².0⁵,¹⁰.0²⁰,²⁴]tetracosa-1(24),2(15),3(12),10,13,20,22-heptaene-5-carboxylate
[(e)-(6-methanesulfinyl-1-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl}hexylidene)amino]oxysulfonic acid
[(e)-(6-methanesulfinyl-1-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl}hexylidene)amino]oxysulfonic acid
methyl (10s,11s)-3,5,10-trihydroxy-7,19-dioxo-12,18-dioxa-17-azahexacyclo[15.6.1.0²,¹⁵.0⁴,¹³.0⁶,¹¹.0²⁰,²⁴]tetracosa-1(24),2(15),3,5,13,20,22-heptaene-11-carboxylate
methyl (10s,11s)-3,5,10-trihydroxy-7,19-dioxo-12,18-dioxa-17-azahexacyclo[15.6.1.0²,¹⁵.0⁴,¹³.0⁶,¹¹.0²⁰,²⁴]tetracosa-1(24),2(15),3,5,13,20,22-heptaene-11-carboxylate
[(e)-[(4s)-4-hydroxy-6-(methylsulfanyl)-1-{[(2r,3r,4r,5r,6s)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl}hexylidene]amino]oxysulfonic acid
[(e)-[(4s)-4-hydroxy-6-(methylsulfanyl)-1-{[(2r,3r,4r,5r,6s)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl}hexylidene]amino]oxysulfonic acid
methyl (10s,11r)-3,5,10-trihydroxy-7,19-dioxo-12,18-dioxa-17-azahexacyclo[15.6.1.0²,¹⁵.0⁴,¹³.0⁶,¹¹.0²⁰,²⁴]tetracosa-1(24),2(15),3,5,13,20,22-heptaene-11-carboxylate
methyl (10s,11r)-3,5,10-trihydroxy-7,19-dioxo-12,18-dioxa-17-azahexacyclo[15.6.1.0²,¹⁵.0⁴,¹³.0⁶,¹¹.0²⁰,²⁴]tetracosa-1(24),2(15),3,5,13,20,22-heptaene-11-carboxylate
(2s)-2-amino-n-{[(2r,3s,4r,5s)-5-(6-amino-2-chloropurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxysulfonyl}propanimidic acid
(2s)-2-amino-n-{[(2r,3s,4r,5s)-5-(6-amino-2-chloropurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxysulfonyl}propanimidic acid
2-amino-n-{[5-(6-amino-2-chloropurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxysulfonyl}propanimidic acid
2-amino-n-{[5-(6-amino-2-chloropurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxysulfonyl}propanimidic acid
1-[(r)-carboxy({[(2e)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy})methoxy]pyrrole-2,3,5-tricarboxylic acid
1-[(r)-carboxy({[(2e)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy})methoxy]pyrrole-2,3,5-tricarboxylic acid
methyl (5s,6s)-6,11,13-trihydroxy-9,19-dioxo-4,18-dioxa-17-azahexacyclo[15.6.1.0²,¹⁵.0³,¹².0⁵,¹⁰.0²⁰,²⁴]tetracosa-1(24),2(15),3(12),10,13,20,22-heptaene-5-carboxylate
methyl (5s,6s)-6,11,13-trihydroxy-9,19-dioxo-4,18-dioxa-17-azahexacyclo[15.6.1.0²,¹⁵.0³,¹².0⁵,¹⁰.0²⁰,²⁴]tetracosa-1(24),2(15),3(12),10,13,20,22-heptaene-5-carboxylate
[(e)-{6-[(r)-methanesulfinyl]-1-{[(2r,3s,4r,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl}hexylidene}amino]oxysulfonic acid
[(e)-{6-[(r)-methanesulfinyl]-1-{[(2r,3s,4r,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl}hexylidene}amino]oxysulfonic acid
