Computing methods in mass spectrometry. Programming for aliphatic amines and alcohols

Abstract

A discussion is given of the principles involved in developing computer programs for the interpretation of the mass spectra of aliphatic alcohols and amines. In many cases a parent ion is not observed, and the molecular weight has to be deduced by indirect methods. Limitations on the present state of the programs are the fact that it is assumed that the compound being studied is known to be a saturated acyclic monoamine or alcohol and, for the most part, no attempt is made to distinguish between isomeric alkyl substituents. The performance of the programs developed is described.