Comprehensive two-dimensional gas chromatography–mass spectrometry combined with multivariate data analysis for pattern recognition in Ecuadorian spirits

Abstract

Abstract The current methodology used in quality control of Ecuadorian beverages such as Pájaro azúl, Puro and Pata de vaca is carried out by using conventional gas chromatography; however, it does not allow the fingerprinting of these Ecuadorian spirit beverages and their possible cases of adulteration. In order to overcome this drawback, comprehensive two-dimensional gas chromatography–mass spectrometry (GC × GC–MS) was combined with multivariate data analysis, revealing that compounds like citronellal, citronellol, geraniol, methyl anthranilate, (−)-trans-α-bergamotene, (−)-cis-α-bergamotene and d-limonene can be considered key elements for pattern recognition of these traditional beverages and product adulteration cases. Thus, the two-dimensional chromatographic fingerprints obtained by GC × GC–MS coupled with chemometric analysis, using Principal Component Analysis and Fisher-ratio can be considered as a potential strategy for adulteration recognition, and it may used as a quality assurance system for Ecuadorian traditional spirits.

Keywords

• Multiway Principal Component Analysis
• Spirits beverages
• Comprehensive two-dimensional gas chromatography (GC × GC)
• Solid phase microextraction
• Fisher-ratio