Metabolite List
metabolites which its exact mass nearly 87.00821880000001 with tolerance error 0.01 da.
Ethyl isothiocyanate (BioCAD00000229925)
Formula: C3H5NS (Exact Mass: 87.0143)
Ethyl isothiocyanate, also known as eitc or isothiocyanic acid, ethyl ester, 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. Ethyl isothiocyanate is slightly soluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Ethyl isothiocyanate is a garlic, mustard, and pungent tasting compound found in horseradish, which makes ethyl isothiocyanate a potential biomarker for the consumption of this food product.
tetrafluoroborate(1-) (BioCAD00000506795)
Formula: BF4 (Exact Mass: 87.0029)
Tetrafluoroborate(1-) is a boron fluoride. It is a conjugate base of a tetrafluoroboric acid. It derives from a hydride of a borohydride. Tetrafluoroborate is under investigation in clinical trial NCT02907073 (Positron Emission Tomography (PET) Imaging Studies With NIS Reporter).
ethyl isothiocyanate (BioCAD00000507473)
Formula: C3H5NS (Exact Mass: 87.0143)
An isothiocyanate having an ethyl group attached to the nitrogen." []
carboxyacetyl group (BioCAD00000530221)
Formula: C3H3O3 (Exact Mass: 87.0082)
The univalent carboacyl group formed by loss of -OH from one of the carboxy groups of malonic acid." []