Prediction of the gas chromatographic retention values of chlorobenzenes on different stationary phases by using structure–retention correlations

Vezzani, S.; Bertocchi, A; Moretti, Paolo; Castello, Gianrico

doi:10.1016/s0021-9673(97)01281-8

Cited by 2 publications

(1 citation statement)

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“…Peaks obtained in gas chromatography can be identified based on graphical or mathematical relationships that exist between the retention times, or indices, of compounds from homologous series and some characteristics of their molecular structure ( − ). Hydrocarbons are probably the substances with the most predictable and precise chromatographic behavior, a characteristic that enables the use of the Kováts index for the identification of unknown substances in gas chromatography and the tabulation of retention data ( , ).…”

Section: Introductionmentioning

confidence: 99%

Mathematical Method for the Prediction of Retention Times of Fatty Acid Methyl Esters in Temperature-Programmed Capillary Gas Chromatography

Torres

Trugo

2002

J. Agric. Food Chem.

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An accurate method for identification of fatty acids in complex mixtures analyzed by temperature-programmed capillary gas chromatography is described. The method is based on a mathematical approach using regression curves obtained by plotting the relative retention times of fatty acid methyl esters (FAMEs) analyzed in isothermal and gradient temperature conditions. The method was applied to a complex biological sample (human milk), and it was possible to identify 64 fatty acids, including branched-chain and other fatty acids for which reference standards were not readily available. The identities of the majority of the peaks were confirmed by mass spectrometry. The relative residuals and the relative differences between estimated and measured relative retention times of individual FAMEs varied from 0.03 to 3.15% and from 0.0 to 2.9%, respectively. The method is useful for identification of fatty acids in routine analysis.

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