Abstract
The knowledge of transformation pathways and identification of transformation products (TPs) of veterinary drugs is important for animal health, food, and environmental matters. The active agent Monensin (MON) belongs to the ionophore antibiotics and is widely used as a veterinary drug against coccidiosis in broiler farming. However, no electrochemically (EC) generated TPs of MON have been described so far. In this study, the online coupling of EC and mass spectrometry (MS) was used for the generation of oxidative TPs. EC-conditions were optimized with respect to working electrode material, solvent, modifier, and potential polarity. Subsequent LC/HRMS (liquid chromatography/high resolution mass spectrometry) and MS/MS experiments were performed to identify the structures of derived TPs by a suspected target analysis. The obtained EC-results were compared to TPs observed in metabolism tests with microsomes and hydrolysis experiments of MON. Five previously undescribed TPs of MON were identified in our EC/MS based study and one TP, which was already known from literature and found by a microsomal assay, could be confirmed. Two and three further TPs were found as products in microsomal tests and following hydrolysis, respectively. We found decarboxylation, O-demethylation and acid-catalyzed ring-opening reactions to be the major mechanisms of MON transformation.
Highlights
Transformation products (TPs) are structurally diverse intermediates formed during the-degradation of organic compounds like drugs
The obtained EC-results were compared to TPs observed in metabolism tests with microsomes and hydrolysis experiments of MON
A coupling between an electrochemical reactor (EC) and mass spectrometry (MS) was used for the generation of TPs coupling an electrochemical (EC) and MS was for the generation of TPswas and andAtheir onlinebetween identification by accurate reactor mass determination
Summary
Transformation products (TPs) are structurally diverse intermediates formed during the (bio)-degradation of organic compounds like drugs. Simulate a broad reaction spectrum of the without sample complex matrices, matrices, which enables a simplified of TPs. Among others, EC was used EC in drug without complex which enables a identification simplified identification of TPs. Methods of different complexity knowncomplexity to simulate biotransformations in the liver could be simulated. Catalyst [29] and the inhibition and biotransformation under different redox conditions [30] In this this study, study, electrochemistry electrochemistry was was used used for for the the first first time time to to simulate simulate oxidative oxidative TPs. RLM and and hydrolysis hydrolysis experiments. Identification of partially new TPs by HRMS revealed the broad reaction spectrum of MON. EC leads leads to to decarboxylation as major reaction, whereas O-demethylation was found by rat liver microsomes and acid catalyzed ring-opening by hydrolysis.
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