Analysis of fragmentations of coumarins in mass spectrometry using the electronic charges of atoms

Abstract

Recently, we examined a new approach to understand the fragmentations of monosubstituted and disubstituted coumarins with halogens and/or oxygenated moieties, through the electronic charges of their atoms, performed by AM1 method. A good correlation was found between electronic charges of atoms and fragmentation processes. In the present study, another series of coumarins with nitrogenated moieties is used to verify the reliability of this method.

KEY WORDS: 4,7-Disubstituted coumarins, Nitrogenated moiety, AM₁, Electronic charge, Fragmentation, Mass spectrometry

Bull. Chem. Soc. Ethiop. 2010, 24(2), 305-310.