Can Volatiles Fingerprints be an Alternative to Isotope Ratio Mass Spectrometry in the Botanical Origin Determination of Spirits?

cris.virtual.author-orcid#PLACEHOLDER_PARENT_METADATA_VALUE#
cris.virtual.author-orcid0000-0002-6568-8155
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cris.virtualsource.author-orcid#PLACEHOLDER_PARENT_METADATA_VALUE#
cris.virtualsource.author-orcid1ddb8111-48d2-4a19-a7fb-97562fc1691c
cris.virtualsource.author-orcid#PLACEHOLDER_PARENT_METADATA_VALUE#
dc.abstract.enMass spectrometry based quasi-electronic nose using solid-phase microextraction to introduce volatiles directly to mass spectrometer without chromatographic separation (HS-SPME-MS) was used to discriminate 45 raw spirits produced from C3 (potato, rye, wheat) and C4 (corn, sorghum) plants. The samples were also subjected to isotope ratio mass spectrometry (IRMS), which unequivocally distinguished C3 from C4 samples; however, no clear differentiation was observed for C3 samples. On the contrary, HS-SPME-MS, which uses unresolved volatile compounds “fingerprints” in a form of ions of a given m/z range and various intensities provided excellent sample classification and prediction after OPLS-DA data processing verified also by the artificial neural network (ANN).
dc.affiliationWydział Nauk o Żywności i Żywieniu
dc.affiliation.instituteKatedra Technologii Żywności Pochodzenia Roślinnego
dc.contributor.authorHe, Xi
dc.contributor.authorGbiorczyk, Krystyna
dc.contributor.authorJeleń, Henryk
dc.date.accessioned2025-10-10T10:26:46Z
dc.date.available2025-10-10T10:26:46Z
dc.date.issued2023
dc.description.bibliographyil., bibliogr.
dc.description.financepublication_nocost
dc.description.financecost0,00
dc.description.if5,7
dc.description.number5
dc.description.points140
dc.description.volume71
dc.identifier.doi10.1021/acs.jafc.2c08141
dc.identifier.eissn1520-5118
dc.identifier.issn0021-8561
dc.identifier.urihttps://sciencerep.up.poznan.pl/handle/item/5378
dc.languageen
dc.relation.ispartofJournal of Agricultural and Food Chemistry
dc.relation.pages2637-2643
dc.rightsClosedAccess
dc.sciencecloudnosend
dc.subject.otherspirits
dc.subject.otherbotanical origin
dc.subject.otherHS-SPME-MS
dc.subject.otherIRMS
dc.subject.otherquasi-electronic nose
dc.titleCan Volatiles Fingerprints be an Alternative to Isotope Ratio Mass Spectrometry in the Botanical Origin Determination of Spirits?
dc.typeJournalArticle
dspace.entity.typePublication
oaire.citation.issue5
oaire.citation.volume71