V. Makarov, A. Samokish, Y. I. Lutvinskiy
Institute for Analytical Instrumentation RAS, Saint-Petersburg
A data mining method performing isotope
and charge state decomposition of peptide mass spectra is described. The
method uses the peak table as an input and is based on the analysis and
decomposition of the mass spectrum structure. Isotope cluster statistics
is used as a base of decomposition. This statistic is calculated on a set
of simulated mass spectra. The described method is programmed as a fast
routine. The results of real spectra decomposition are presented.