Abstract
A system has been developed to predict retentions in reversed-phase high-performance liquid chromatography based on the molecular structure of the analyte. The contributions of aliphatic functional groups to the retention index of an analyte have been determined based on a series of substituted alkylbenzenes. These contributions are expressed as quadratic equations which relate the contribution to the proportion and type of organic modifier. The influence of phenyl groups in the proximity of the substituents has been examined.
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