Using electrochemistry coupled to high resolution mass spectrometry for the simulation of the environmental degradation of the recalcitrant fungicide carbendazim

Abstract Currently, there is a growing interest in the study of environmental degradation pathways organic contaminants such as pesticides, with objective to better understand their potential risk for systems and living organisms. In this context, DFT (conceptual density functional theory) predictive methods may systematically be used simplify accelerate elucidation degradation. We report herein electrochemical behavior/degradation carbendazim (CBZ) fungicide widely treat cereal fruit crops. Oxidative CBZ was studied using an flow-through cell directly coupled mass spectrometer rapid identification products. The structural oxidation products based on retention time, accurate mass, isotopic distribution fragmentation pattern by LC-HRMS LC-HRMS2. most important chemical reactions found occur transformation were hydrolysis hydroxylation. EC-LC-MS EC-MS analysis has made it possible highlight CBZ. addition previously known common those observed during (monocarbomethoxyguanidine, benzimidazole-isocyanate, 2-aminobenzimidazole, hydroxy-2-aminobenzimidazole, hydroxycarbendazim, CBZ-CBZ dimer), two new identified work: quinone imine nitrenium ion. Electrochemistry spectrometry hyphenated techniques represent accessible, reliable tool elucidate oxidative CBZ, including reactive conjugates.