CHROMATO-MASS-SPECTROMETRIC IDENTIFICATION OF COMPOUNDS WITH A BRANCHED CARBON SKELETON. CRITERIA FOR IDENTIFYING tert-BUTYL GROUPS IN THE STRUCTURE OF MOLECULES
I. G. Zenkevich
Keywords: organic compounds, structural analogues, tert-butyl group, mass spectrometry, gas chromatographic retention indices, identification
Pages: 931-945
Abstract
The previously proposed method of the integrated interpretation of mass-spectrometric and chromatographic data is applied to compounds with a branched carbon skeleton, namely, hydrocarbons containing tert-butyl groups. We estimate the increments of chromatographic retention indices for a hypothetical (СН3)3С → СН3 transformation and determine the factors affecting their value. Several simple mass spectral characteristics are recommended to reveal tert-butyl groups in the structure of analyte molecules; however, one of the most informative criterion is to estimate the total number of carbon skeleton branches based on the homological increments of retention indices. The work shows high efficiency of the identification method proposed when the analytical and reference data are scarce.
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