P-31 NMR and ESI-MS Study of Fenitrothion-Copper Ion Complex: Experimental and Theoretical Study

Abstract

P-31 NMR and ESI-MS studies of Cu2+ binding to Fenitrothion (FN) were performed by experimentally and theoretically. The calculated P-31 NMR chemical shifts for FN-Cu2+ complexes are in good agreement with experimental chemical shifts in order, and the results present an important information for organophosphorus pesticide metal complexes. ESI-MS and low energy CID MS/MS experiments of FN-Cu2+ complexes combined with accurate mass measurements give insight into the metal localization and allow unambiguous identification of fragments and hydrolysis products.