He, Xi ORCID: https://orcid.org/0000-0003-0624-763X and Jeleń, Henryk H. (2024) Comprehensive two dimensional gas chromatography – time of flight mass spectrometry (GC×GC-TOFMS) for the investigation of botanical origin of raw spirits. Food Chemistry, 465 (Part 2):142004. ISSN 0308-8146 (Print), 1873-7072 (Online) (doi:10.1016/j.foodchem.2024.142004)

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Abstract

Comprehensive two dimensional gas chromatography – time of flight mass spectrometry (GC × GC-TOFMS) with sample introduction using headspace solid phase microextraction (HS-SPME) was used for the botanical classification of raw spirits obtained from C3 (corn and sorghum) and C4 (rye, wheat and potato) plants. 45 spirit samples representing these raw materials (10 spirits produced from rye, corn, wheat and potato, and 5 from sorghum) were analyzed. Volatile compounds profiles were compared by PCA, and after removal of outliers samples were subjected to the classification model. OPLS-DA model was built (R2Y = 0.924 Q2Y = 0.895) that enabled clear separation of all tested spirits of different botanical origin. The model was validated with training and testing sets and 100 % correct assignment was achieved. GC × GC-TOFMS proved to be a method that not only can be used as a tool for botanic origin of raw spirits, but also provides detailed information of volatile fermentation by-products, characteristic for particular spirit.

Item Type:	Article
Uncontrolled Keywords:	GC × GC-TOFMS, raw spirits, alcoholic beverages, botanical origin, food adulteration
Subjects:	Q Science > Q Science (General) Q Science > QK Botany S Agriculture > S Agriculture (General)
Faculty / School / Research Centre / Research Group:	Faculty of Engineering & Science Faculty of Engineering & Science > Natural Resources Institute Faculty of Engineering & Science > Natural Resources Institute > Centre for Food Systems Research Faculty of Engineering & Science > Natural Resources Institute > Centre for Food Systems Research > Food Processing & Innovation
Last Modified:	22 Nov 2024 16:38
URI:	http://gala.gre.ac.uk/id/eprint/48669

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