Supplementary materials for the article "Large-scale statistical study of the dependence of retention index on heating rate in temperature-programmed gas chromatography"

Retention indices in gas chromatography are values ​​characterizing the retention of a compound under gas chromatography conditions. In practice, it is often assumed that they depend only on the structure of the molecule and the type of stationary phase, but this approximation is incorrect. In this work we study the dependence of retention indices on the heating rate of the column in linear temperature programming mode, using a large and diverse data set. A data set is presented for the stationary phase of 5%-phenyl-polymethylsiloxane. For each molecule, the value <i>D</i> is given - the angular coefficient (slope) of the dependence of the retention index on the heating rate. This value takes both positive and negative values.