Abstract
AbstractA new version of the AELITA‐F program for computation of a monoisotopic spectrum and identification of the ion composition as a collection of elements or as structural fragments is described. A technique is proposed for specifying a priori information on the compound in a ‘hybrid’ form which combines structural fragments of the molecule and individual chemical elements. This version permits the elimination of redundant information and reduces the requirements of computer resources. The program effectiveness is increased by reducing the number of ions to be generated. The format in which the mass spectral information is read out is more comprehensible to a chemist.
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