Siscom — a new library search system for mass spectra

SISCOM is especially suitable for detecting structural similarities like common substructures, even in cases where no similarity can be recognized by visual comparison of patterns or by human interpretation of the spectrum.

Abstract

SISCOM is a library search system for mass spectrometry which is based on a new method of coding spectra by selecting the most important peaks within homologous ion series, and on a multiple factor assessment of the result. Examples demonstrate the ability of the system to identify various compounds, even from mixtures or by reference spectra which differ from those measured. SISCOM is especially suitable for detecting structural similarities like common substructures, even in cases where no similarity can be recognized by visual comparison of patterns or by human interpretation of the spectrum.