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J Agric Food Chem

Title:		Validated modeling for German white wine varietal authentication based on headspace solid-phase microextraction online coupled with gas chromatography mass spectrometry fingerprinting
Author(s):		Springer AE; Riedl J; Esslinger S; Roth T; Glomb MA; Fauhl-Hassek C;
Address:		"Department Safety in the Food Chain, Bundesinstitut fur Risikobewertung (BfR) Federal Institue for Risk Assessment , Max-Dohrn-Strasse 8-10, D-10589 Berlin, Germany"
Journal Title:		J Agric Food Chem
Year:		2014
Volume:		20140707
Issue:		28
Page Number:		6844 - 6851
DOI:		10.1021/jf502042c
ISSN/ISBN:		1520-5118 (Electronic) 0021-8561 (Linking)
Abstract:		"An untargeted analytical approach combined with chemometrics using the volatiles of German white wine was investigated regarding the usefulness for verifying botanical origin. A total of 198 wine samples of Riesling, Muller-Thurgau, Silvaner, Pinot Gris, and Pinot Blanc were examined applying headspace solid-phase microextraction online coupled with gas chromatography mass spectrometry. The resultant three-dimensional raw data were processed by available metabolomics software. After data treatment, a partial least-squares discriminant analysis (PLS-DA) model was validated. External samples were correctly classified for 97% Silvaner, 93% Riesling, 91% Pinot Gris/Blanc, and 80% Muller-Thurgau. This model was related to monoterpenoids, C13-norisoprenoids, and esters. Further, 100% prediction for a two-class model of Riesling versus Pinot Gris/Blanc was confirmed by 74 additional samples measured independently. Hence, the strategy applied was, in particular, reliable and relevant for white wine varietal classification. In addition, the superior classification performance of the Riesling class was revealed"
Keywords:		Esters/analysis Gas Chromatography-Mass Spectrometry/*methods Germany Metabolomics Monoterpenes/analysis Norisoprenoids/analysis Solid Phase Microextraction/*methods Vitis/chemistry Volatile Organic Compounds/analysis Wine/analysis/*classification;
Notes:		"MedlineSpringer, A E Riedl, J Esslinger, S Roth, T Glomb, M A Fauhl-Hassek, C eng Validation Study 2014/07/08 J Agric Food Chem. 2014 Jul 16; 62(28):6844-51. doi: 10.1021/jf502042c. Epub 2014 Jul 7"