Computer identification of mass spectra

Abstract

Automation of the interpretation of unknown mass spectra is a necessity in many laboratories. Two types of computer programs have been developed for this “retrieval” systems compare the unknown against a file of reference spectra, while “interpretation” programs identify various molecular features to aid the interpreter. Particular emphasis here will be placed on systems of each of these types developed at Cornell, the “Probability Based Matching” and “Self-Training Interpretive and Retrieval System”.