Abstract
AbstractThe structure of a laboratory system for processing and interpreting mass spectral data intended to solve a wide range of analytical problems (determination of the composition and structure of molecules, isotopic analysis, etc) and research problems (study of the structure and reactivity of ions in the gas phase) is described and its functional possibilities are discussed. The basic software of the system includes both methods for calculation of elemental compositions of ions with the use of masses and amplitudes of isotopic peaks and methods for establishing spectralstructural correlations based on information theory and molecular graph theory.
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