Interactive use of linear retention indices, on polar and apolar columns, with a ms‐library for reliable identification of complex mixtures

Abstract

Abstract Linear Retention Indices of about 150 compounds present in essential oils have been calculated both on a polar column (Carbowax 20 M) and on an apolar column (SE‐52). A library has been built with the mass spectra and the two Linear Retention Indices. The constituents of bergamot essential oil were used to test the library. Every unknown compound has been investigated using the Linear Retention Indices interactively with the MS spectra. Results obtained with a commercially available library and with our library were compared.