pyMacroMS

pyMacroMS is a Python package with the purpose to identify and quantify macromolecular species in high resolution mass spectra based on the used monomer(s), possible end-groups and the adduct ion. This page assumes you use v0.2.0 of pyMacroMS.

Example

Let’s assume you have a poly(methyl methacrylate) homopolymer that you obtained via photochemical atom transfer radical polymerisation (photoATRP). Based on previous research, you know that you can expect PMMA chains with up to 9 different end groups.

You also know that the ESI gives you singly charged Na adducts. When you pass these parameters together with the experimental spectrum (this must be a csv file containing a tab-separated centroided peaklist) to pyMacroMS, you can get the following results back: