Determination of Isomers in Doping Control by Chromatography–Mass Spectrometry

Abstract

Isomeric compounds are characterized, on the one hand, by the proximity of the main physicochemical characteristics, including mass, NMR and IR spectra, and on the other hand, by significant differences in properties essential for a human being, for example, reactivity and toxicity. Virtually all known physicochemical methods of analysis are used to study and determine isomers; chromatography–mass spectrometry is among the most effective ones. Mass spectrometric identification includes library search, building the structure of a molecule based on fragmentation patterns for various classes of organic substances, and the use of special methods of ionization, yielding information about the structure of molecules. Chromatographic separation enables the identification of isomeric compounds with identical mass spectra. Information about the presence of specific isomers in their complex mixtures is necessary for making serious arbitral decisions in forensic science, toxicology, or doping analysis. The review discusses examples of using chromatography–mass spectrometry for isomer-specific analysis in antidoping control.