Abstract
Computerized gas chromatography—mass spectrometry has been used for fingerprinting C 15C 40 methyl- and polymethylalkanes in geological extracts. With proper selection of the key ions, three different series of isoprenoid hyrocarbons, exhibiting iso- and anteiso- head-to-tail and tail-to-tail structures can be observed. The regularities displayed by these series in the fragmentograms have been rationalized on the basis of the chromatographic behaviour of their components. In this respect the possibility of predicting retention indices either by retention increments or by empirical relationships is discussed. The elution order of the isoalkanes identified is correctly established by the first-order molecular connectivity (χ), and a retention relationship giving mean absolute errors of 1.1 and 2.7 index units for Apiezon L and Dexsil, respectively, has been obtained for the C 15C 40 regular isoprenoid series.
Published Version
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