Exact Mass: 463.1004

Exact Mass Matches: 463.1004

Found 6 metabolites which its exact mass value is equals to given mass value 463.1004, within given mass tolerance error 0.0002 dalton. Try search metabolite list with more accurate mass tolerance error 4.0E-5 dalton.

7-Methylthioheptyl glucosinolate

7-Methylthioheptyl glucosinolate

C15H29NO9S3 (463.1004)


Acquisition and generation of the data is financially supported by the Max-Planck-Society

   

7-methylthioheptyl glucosinolate

({[8-(methylsulphanyl)-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulphanyl}octylidene]amino}oxy)sulphonic acid

C15H29NO9S3 (463.1004)


7-methylthioheptyl 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. 7-methylthioheptyl glucosinolate is slightly soluble (in water) and an extremely strong acidic compound (based on its pKa). 7-methylthioheptyl glucosinolate can be found in a number of food items such as macadamia nut (m. tetraphylla), annual wild rice, herbs and spices, and horseradish tree, which makes 7-methylthioheptyl glucosinolate a potential biomarker for the consumption of these food products.

   

(Methylsulfanyl)heptyl glucosinolate

(Methylsulfanyl)heptyl glucosinolate

C15H29NO9S3 (463.1004)


Annotation level-3

   

[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1E)-8-methylsulfanyl-N-sulfooxyoctanimidothioate

[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1E)-8-methylsulfanyl-N-sulfooxyoctanimidothioate

C15H29NO9S3 (463.1004)


   

{[8-(methylsulfanyl)-1-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl}octylidene]amino}oxysulfonic acid

{[8-(methylsulfanyl)-1-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl}octylidene]amino}oxysulfonic acid

C15H29NO9S3 (463.1004)


   

[(e)-[8-(methylsulfanyl)-1-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl}octylidene]amino]oxysulfonic acid

[(e)-[8-(methylsulfanyl)-1-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl}octylidene]amino]oxysulfonic acid

C15H29NO9S3 (463.1004)