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  • Title: On-line electrochemistry/liquid chromatography/mass spectrometry for the simulation of pesticide metabolism.
    Author: Lohmann W, Dötzer R, Gütter G, Van Leeuwen SM, Karst U.
    Journal: J Am Soc Mass Spectrom; 2009 Jan; 20(1):138-45. PubMed ID: 18842426.
    Abstract:
    On-line electrochemistry/liquid chromatography/mass spectrometry (EC/LC/MS) was employed to mimic the oxidative metabolism of the fungicide boscalid. High-resolution mass spectrometry and MS/MS experiments were used to identify its electrochemical oxidation products. Furthermore, the introduction of a second electrochemical cell with reductive conditions provided important additional information on the oxidation products. With this equipment, hydroxylation, dehydrogenation, formation of a covalent ammonia adduct, and dimerization were detected after initial one-electron oxidation of boscalid to a radical cation. On-line reaction with glutathione yielded different isomeric covalent glutathione adducts. The results of the electrochemical oxidation are in good accordance with previously reported in vivo experiments, showing that EC/LC/MS is a useful tool for studying biotransformation reactions of various groups of xenobiotics.
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