Analysis of gin essential oil mixtures by multidimensional and one-dimensional gas chromatography/mass spectrometry with spectral deconvolution

The composition of essential oils and their mixtures used to formulate gin is usually too complex to separate all sample components by standard capillary gas chromatography (GC). In particular, minor constituents that possess important organoleptic properties can be masked by co-elution with major sample components. A solution is provided that combines gas chromatography/mass spectrometry (GC/MS) with “interactive” spectral deconvolution software. Sequential two-dimensional (2D) GC/MS is used to produce a target compound library, with orthogonal GC–GC providing the separation power required to obtain peak retention times and the corresponding mass spectra needed for the deconvolution database. The combination of these two techniques, mass spectral deconvolution and automated sequential 2D-GC/MS, offers a very effective synergy for both identifying key constituents that determine the perception of flavor and aroma and the quality control needed to analyze mixtures of complex essential oils.