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Comprehensive two dimensional gas chromatography – time of flight mass spectrometry (GC×GC-TOFMS) for the investigation of botanical origin of raw spirits

cris.lastimport.scopus2025-10-23T06:58:10Z
cris.virtual.author-orcid0000-0002-6568-8155
cris.virtual.author-orcid#PLACEHOLDER_PARENT_METADATA_VALUE#
cris.virtualsource.author-orcid1ddb8111-48d2-4a19-a7fb-97562fc1691c
cris.virtualsource.author-orcid#PLACEHOLDER_PARENT_METADATA_VALUE#
dc.abstract.enComprehensive 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.
dc.affiliationWydział Nauk o Żywności i Żywieniu
dc.affiliation.instituteKatedra Technologii Żywności Pochodzenia Roślinnego
dc.contributor.authorHe, Xi
dc.contributor.authorJeleń, Henryk
dc.date.accessioned2025-10-08T10:57:20Z
dc.date.available2025-10-08T10:57:20Z
dc.date.issued2025
dc.description.bibliographyil., bibliogr.
dc.description.financepublication_nocost
dc.description.financecost0,00
dc.description.if9,8
dc.description.number15 February 2025
dc.description.points200
dc.description.volume465, Part 2
dc.identifier.doi10.1016/j.foodchem.2024.142004
dc.identifier.eissn1873-7072
dc.identifier.issn0308-8146
dc.identifier.urihttps://sciencerep.up.poznan.pl/handle/item/5290
dc.languageen
dc.relation.ispartofFood Chemistry
dc.relation.pagesart. 142004
dc.rightsClosedAccess
dc.sciencecloudnosend
dc.subject.enGC × GC-TOFMS
dc.subject.enraw spirits
dc.subject.enalcoholic beverages
dc.subject.enbotanical origin
dc.subject.enfood adulteration
dc.titleComprehensive two dimensional gas chromatography – time of flight mass spectrometry (GC×GC-TOFMS) for the investigation of botanical origin of raw spirits
dc.typeJournalArticle
dspace.entity.typePublication
oaire.citation.volume465