INTERPRETING COMPLEX MASS SPECTRA THROUGH DOUBLE DECONVOLUTION ANALYSIS

Abstract

UniDec provides a rapid and reliable approach to deconvolving native mass spectra into mass and charge components. However, the complexity of interactions in large biomolecules may still render the data several variables impossible to interpret , especially when contribute to the mass. Here, we present a second deconvolution step after conversion to mass space. Using a control spectrum as the point spread function, this mathematically removes a chosen mass previously un assignabledetermining factor, enabling the analysis of peaks. We demonstrate the use of this double deconvolution in several applications, including variable metal binding to multiple metalloprotein proteoforms and the incorporation of peptides into lipid bilayer mimetic discs.