European Food Research and Technology

, Volume 245, Issue 1, pp 179–190 | Cite as

Wine authentication: a fingerprinting multiclass strategy to classify red varietals through profound chemometric analysis of volatiles

  • Andrea E. Springer
Original Paper


The verification of the grape variety with chemical–analytical methods is one of the major challenges in wine authentication. Such strategies use multivariate data analysis and are expected to separate individual grape varieties; also, the classification models for a large number of varieties shall give accurate predictions. In the part II of a non-targeted fingerprinting study presented herein, special multiclass chemometric strategies for the classification of German and non-German red wine varieties available on the German market were tested. The obtained three-dimensional raw data of a standardised headspace solid phase microextraction (HS-SPME) online coupled with gas chromatography mass spectrometry (GC–MS) was used; a metabolomics software and data pre-treatment were applied. The feasibility of the approaches was determined with four botanical origins by testing the models with external samples (validation). In particular, suitable modelling of similar wine varieties was a discriminant strategy using one-versus-one models based on orthogonal partial least squares discriminant analysis under the direction of a decision tree: on average, 85–98% correct classification of external test samples through ten tests was achieved. In addition, soft independent modelling of class analogies confirmed the classification. Both statistical strategies may be recommended for further improving wine authentication.


Fraud Dornfelder Shiraz Carmenére Merlot ROC curve analysis 



The author has conducted the study at the Federal Institute for Risk Assessment (BfR), Department Safety in the Food Chain, Berlin, Germany. BfR expressely authorised its publication through the author. The author acknowledges the contributions and dedicated support of Dr. Carsten Fauhl-Hassek, BfR, and Prof. Dr. Marcus Glomb, Martin-Luther-University, Halle-Wittenberg, Germany.

Compliance with ethical standards

Conflict of interest

The author declares that there is no conflict of interest.

Compliance with ethics requirements

This study was funded by the German Federal Institute for Risk Assessment (BfR).

Supplementary material

217_2018_3151_MOESM1_ESM.doc (297 kb)
Supplementary material 1 (DOC 297 KB)


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Copyright information

© Springer-Verlag GmbH Germany, part of Springer Nature 2018

Authors and Affiliations

  1. 1.Section Hazardous Substances and Biological AgentsFederal Institute for Occupational Safety and Health (BAuA)DortmundGermany

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