Chemometric Fingerprinting of Raicilla, a Traditional Mexican Distilled Beverage, Using Near-Infrared Spectroscopy and Gas Chromatography

Abstract Raicilla is a traditional Mexican distilled alcoholic beverage similar to Tequila and Mezcal, produced from different Agavaceae species. It exhibits a complex chemical profile defined by volatile compounds and physicochemical properties that determine its sensory characteristics. The chemometric fingerprint of Raicilla samples was related to agave species, geographical origin, and manufacturing process by physicochemical parameters, Fourier Transform Near-Infrared Spectroscopy (FT-NIR), and Solid-Phase Microextraction Gas Chromatography–Mass Spectrometry (HS-SPME-GC–MS), through uni- and multivariate statistical methods. The PLS-DA model from FT-NIR spectra allowed discrimination of Raicilla samples according to the elaboration process, demonstrating the potential of this approach to detect chemical differences associated with manufacturing. In addition, the HS-SPME-GC–MS analysis enabled the identification of 35 volatile compounds that collectively contribute to the unique sensory attributes of Raicilla. The later multivariable analysis allowed differentiation among the agave used as raw material, highlighting compositional patterns associated with botanical origin.