Exact Mass: 451.0361

Exact Mass Matches: 451.0361

Found 13 metabolites which its exact mass value is equals to given mass value 451.0361, within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error 0.001 dalton.

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

C12H21NO11S3 (451.0277)


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.

   

4-Methylsulfonyl-3-butenyl glucosinolate

4-Methylsulfonyl-3-butenyl glucosinolate

C12H21NO11S3 (451.0277)


   
   

beta-D-Glucopyranose,1-thio-,1-(5-(methylsulfinyl)-N-(sulfooxy)-4-pentenimidate

beta-D-Glucopyranose,1-thio-,1-(5-(methylsulfinyl)-N-(sulfooxy)-4-pentenimidate

C12H21NO11S3 (451.0277)


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

C18H13NO13 (451.0387)


   
   

[[(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

C12H21NO11S3 (451.0277)


   

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

C17H13BrF3N7 (451.0368)


   

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

C19H22BrN3OS2 (451.0388)


   

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

C18H13NO13 (451.0387)


   

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

C18H20BrN4O3S (451.0439)


   

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

[C18H20BrN4O3S]+ (451.0439)


   

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

C18H13NO13 (451.0387)