Correlating Comprehensive Two-dimensional Gas Chromatography Volatile Profiles of Chocolate with Sensory Analysis

The identification of key components relevant to sensory perception quality from commercial chocolate samples was accomplished after chemometric processing GC×GC-MS (Comprehensive Two-dimensional Gas Chromatography with Mass Spectrometric Detection) profiles corresponding HS-SPME (Headspace Solid Phase Microextraction) extracts the samples. Descriptive evaluation carried out using Optimized Profile (ODP) procedures, where attributes 24 were used classify them in two classes (low and high flavor). 2D Fisher Ratio analysis applied four-way chromatographic data tensors (1st dimension retention time 1tR × 2nd 2tR m/z sample), identify crucial areas on chromatograms that resulted ODP class separation Principal Component Analysis (PCA) scores plot. Comparing sections mass spectra, it possible assess most information regarding sample main can be related only 14 compounds (2,5-dimethylpyrazine, 2,6-dimethyl-4-heptanol, 1-octen-3-ol, trimethylpyrazine, β-pinene, o-cimene, 2-ethyl-3,5-dimethylpyrazine, tetramethylpyrazine, benzaldehyde, 1,3,5-trimethylbenzene, 6-methyl-5-hepten-2-one, limonene, benzeneethanol 1,1-dimethylbutylbenzene) among complex blend volatiles found these extremely