Nontraditional criteria for the identification of organic compounds by chromatography and chromatography-mass spectrometry

摘要

Conditions for identifying organic compounds by chromatography and chromatography-mass spectrometry are proposed. These conditions are recommended as an adjunct to the criteria for a direct comparison between experimental and reference analytical parameters (mass spectra, retention indices, etc.). They include the frequencies of previous determinations of particular substances and a comparative evaluation Of the the thermodynamic stability of theoretically plausible isomers. The experimental values of unidimensional analytical parameters (retention indices) should be added to the databases in use in order to unambiguously confirm the identification.