Decomposition of multidimensional charge state distributions of ions produced by electrospray ionization of bioorganic compounds. Part 1: Basic formalism and implementation of the method

Abstract

Initially our method of the decomposition of charge state distributions of biopolymer ions was designed to estimate the probabilities of the retention of charges by biopolymer ionogenic groups without distinction of different charge carriers (proton, alkali metal ions, or other ions). The analysis of mass spectra of several peptides and proteins produced by electrospray ionization carried out on this basis made possible some conclusions about their ion structure and behavior inside the ion source. A generalization of the method for the case of multidimensional charge state distributions corresponding to the retention of various charge carriers by ions of biomolecules is described. Hopefully, this will make possible gaining more substantial information concerning the structure and behavior of biomolecule ions in solutions and under electrospray conditions, which can be important for various biological applications.