title: Rapid and direct volatile compound profiling of black and green teas (Camellia sinensis) from different countries with PTR-ToF-MS.
abstract: Volatile profiles of 63 black and 38 green teas from different countries were analysed with Proton Transfer Reaction-Time of Flight-Mass Spectrometry (PTR-ToF-MS) both for tea leaves and tea infusion. The headspace volatile fingerprints were collected and the tea classes and geographical origins were tracked with pattern recognition techniques. The high mass resolution achieved by ToF mass analyser provided determination of sum formula and tentative identifications of the mass peaks. The results provided successful separation of the black and green teas based on their headspace volatile emissions both from the dry tea leaves and their infusions. The volatile fingerprints were then used to build different classification models for discrimination of black and green teas according to their geographical origins. Two different cross validation methods were applied and their effectiveness for origin discrimination was discussed. The classification models showed a separation of black and green teas according to geographical origins the errors being mostly between neighbouring countries.
authors.affiliation: Department of Food Quality and Nutrition, Research and Innovation Centre, Fondazione Edmund Mach, 38010 San Michele all'Adige, Italy; Institute of Analytical Chemistry and Radiochemistry, Leopold-Franzens University of Innsbruck, CCB- Center of Chemistry and Biomedicine, Innrain 80-82, 6020 Innsbruck, Austria.
authors.forename: Sine
authors.initials: S
authors.lastname: Yener
authors.affiliation: Zurich University of Applied Sciences (ZHAW), Institute of Chemistry and Biological Chemistry, 8820 Wädenswil, Switzerland; Joint Mass Spectrometry Centre, Chair of Analytical Chemistry, Institute of Chemistry, University of Rostock, d-18059 Rostock, Germany.
authors.forename: José A
authors.initials: JA
authors.lastname: Sánchez-López
authors.affiliation: CIFASIS, French Argentine International Center for Information and Systems Sciences, UNR-CONICET, Bv 27 de Febrero 210 Bis, 2000 Rosario, Argentina.
authors.forename: Pablo M
authors.initials: PM
authors.lastname: Granitto
authors.affiliation: Department of Food Quality and Nutrition, Research and Innovation Centre, Fondazione Edmund Mach, 38010 San Michele all'Adige, Italy.
authors.forename: Luca
authors.initials: L
authors.lastname: Cappellin
authors.affiliation: Institute of Ion Physics and Applied Physics, Leopold-Franzens University of Innsbruck, Technikerstr. 25/3, 6020 Innsbruck, Austria.
authors.forename: Tilmann D
authors.initials: TD
authors.lastname: Märk
authors.affiliation: Joint Mass Spectrometry Centre, Chair of Analytical Chemistry, Institute of Chemistry, University of Rostock, d-18059 Rostock, Germany; Joint Mass Spectrometry Centre, Cooperation Group Comprehensive Molecular Analytics/CMA, Helmholtz Zentrum München, d-85764 Neuherberg, Germany.
authors.forename: Ralf
authors.initials: R
authors.lastname: Zimmermann
authors.affiliation: Institute of Analytical Chemistry and Radiochemistry, Leopold-Franzens University of Innsbruck, CCB- Center of Chemistry and Biomedicine, Innrain 80-82, 6020 Innsbruck, Austria; Austrian Drug Screening Institute, Innrain 66a, 6020 Innsbruck, Austria.
authors.forename: Günther K
authors.initials: GK
authors.lastname: Bonn
authors.affiliation: Zurich University of Applied Sciences (ZHAW), Institute of Chemistry and Biological Chemistry, 8820 Wädenswil, Switzerland.
authors.forename: Chahan
authors.initials: C
authors.lastname: Yeretzian
authors.affiliation: Department of Food Quality and Nutrition, Research and Innovation Centre, Fondazione Edmund Mach, 38010 San Michele all'Adige, Italy.
authors.forename: Franco
authors.initials: F
authors.lastname: Biasioli
mesh_terms: D028241:Camellia sinensis / Q000737:chemistry*; D063427:Food Quality; D005843:Geography; D013058:Mass Spectrometry; D011522:Protons; D013662:Tea / Q000737:chemistry*; D013997:Time Factors; D055549:Volatile Organic Compounds / Q000032:analysis* / Q000737:chemistry*
chemical_list: D011522:Protons; D013662:Tea; D055549:Volatile Organic Compounds
keywords: Geographic origin classification; Headspace volatile fingerprinting; Tea aroma; Tea infusion; Tea leaf; Volatile profiling