Industry standard software for the analysis of polymer mass spectrometry data including Kendrick Mass Defect plots
PolyTools can directly use peak lists created with flexAnalysis or other Bruker programs, or from other sources. PolyTools will automatically determine the monomer, end groups and cation that produced the measured mass spectrum. If isotopes are resolved in the peak list, lines belonging to the isotope distribution are identified and can be reduced to a monoisotopic series. For every series, the average molecular weights Mn and Mw, the dispersity ĐM and degree of polymerization are determined and suggestions for the end groups are made. New stick spectra calculated from all these data are displayed, together with the experimental spectrum for comparison.
Further, in PolyTools version 2.0, a new Kendrick plot function is implemented to give users a graphical overview of peak series observed in a spectrum, and to be helpful to organize and interpret peak series in spectra especially of complex mixture samples.