DETERMINATION OF THE ELEMENTAL COMPOSITION OF A SUBSTANCE FROM LOW-RESOLUTION MASS SPECTRA WITH THE AID OF A COMPUTER

The possibility of using low- and medium-resolution mass spectra for determining the composition of β-diketonates, coronands, and other types of substances was studied. Several versions of a microcomputer program were developed that helped to determine the empirical formula of an unknown compound from generated values of ionic mass and distribution moments of the isotopic peaks of a molecular and protonated quasimolecular ion.