A collection of 181 organic compounds of diverse chemical nature was used: aromatic and aliphatic alcohols, aldehydes, ketones, heterocycles, and various halogenated compounds. A full list of compounds is provided in Supplementary Material, section S1, and all experimental RT and RI are provided in the online repository . Most of the compounds were purchased from Sigma-Aldrich and several from other vendors. The purity of each compound and the correctness of the structure were checked by GC-MS (electron ionization) using matching of observed spectra with spectra from a mass spectral database and matching of RI on standard polar and non-polar SP with reference ones (when available). The NIST 17 database was used for this purpose. A standard mixture of n-alkanes C 7 -C 40 (1000 μg/ml of each component in hexane, Sigma-Aldrich) was used for determination of n-alkanes RI. Acetonitrile (UHPLC-Supergradient PAI-ACS, Panreac) was used to dissolve standard compounds.