Exact Mass: 115.0455674
Exact Mass Matches: 115.0455674
Found 43 metabolites which its exact mass value is equals to given mass value 115.0455674,
within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error
0.001 dalton.
Isobutyl isothiocyanate
Isobutyl isothiocyanate is found in soft-necked garlic. Isobutyl isothiocyanate is used as a food additive [EAFUS] ("EAFUS: Everything Added to Food in the United States. [http://www.eafus.com/]") It is used as a food additive . Isobutyl isothiocyanate is found in soft-necked garlic.
1-Isothiocyanatobutane
1-Isothiocyanatobutane is found in brassicas. 1-Isothiocyanatobutane is a volatile constituent of cabbage and other crucifers arising from enzymic hydrolysis of Butyl glucosinolate
xi-2,5-Dihydro-2,4-dimethylthiazole
xi-2,5-Dihydro-2,4-dimethylthiazole is found in animal foods. xi-2,5-Dihydro-2,4-dimethylthiazole is a volatile component of roasted peanuts and fried chicken. Volatile component of roasted peanuts and fried chicken. xi-2,5-Dihydro-2,4-dimethylthiazole is found in animal foods and nuts.
D-2-Butylisothiocyanate
D-2-butylisothiocyanate is a member of the class of compounds known as isothiocyanates. Isothiocyanates are organic compounds containing the isothiocyanate group, an isocyanate analogue with the general formula RN=C=S. D-2-butylisothiocyanate is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). D-2-butylisothiocyanate can be found in horseradish, which makes D-2-butylisothiocyanate a potential biomarker for the consumption of this food product.
4-(Methylthio)-butanonitrile
4-(methylthio)-butanonitrile is a member of the class of compounds known as nitriles. Nitriles are compounds having the structure RC#N; thus C-substituted derivatives of hydrocyanic acid, HC#N. 4-(methylthio)-butanonitrile can be found in kohlrabi, which makes 4-(methylthio)-butanonitrile a potential biomarker for the consumption of this food product.
2-Butylisothiocyanate
2-butylisothiocyanate is a member of the class of compounds known as isothiocyanates. Isothiocyanates are organic compounds containing the isothiocyanate group, an isocyanate analogue with the general formula RN=C=S. 2-butylisothiocyanate is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). 2-butylisothiocyanate is a green tasting compound and can be found in a number of food items such as white cabbage, broccoli, brussel sprouts, and cabbage, which makes 2-butylisothiocyanate a potential biomarker for the consumption of these food products.
4-(methylthio)butanenitrile|4-(methylthio)butanonitrile|4-(methylthio)butylnitrile|4-(methylthio)butyronitrile|4-methylsulfanyl-butyronitrile|4-methylthiobutanenitrile|4-methylthiobutyronitrile
2-Methylpropylthiocyanat|iso-butyl-thiocyanate|isobutyl thiocyanate|Isobutylrhodanid|Isobutylthiocyanat|thiocyanic acid, 2-methylpropyl ester|Thiocyansaeure-isobutylester
4-Oxopentanoate
A member of the class of oxopentanoates that is the conjugate base of 4-oxopentanoic acid.
3-Methyl-2-oxobutanoate
A 2-oxo monocarboxylic acid anion that is the conjugate base of 3-methyl-2-oxobutanoic acid, arising from deprotonation of the carboxy group.
2-Oxopentanoate
A 2-oxo monocarboxylic acid anion that is the conjugate base of 2-oxopentanoic acid, obtained by deprotonation of the carboxy group.
5-Oxopentanoate
A 5-oxo monocarboxylic acid anion that is the conjugate base of 5-oxopentanoic acid, arising from deprotonation of the carboxy group.