Classification of smoke tainted wines using mid-infrared spectroscopy and chemometrics

J Agric Food Chem. 2012 Jan 11;60(1):52-9. doi: 10.1021/jf203849h. Epub 2011 Dec 16.


In this study, the suitability of mid-infrared (MIR) spectroscopy, combined with principal component analysis (PCA) and linear discriminant analysis (LDA), was evaluated as a rapid analytical technique to identify smoke tainted wines. Control (i.e., unsmoked) and smoke-affected wines (260 in total) from experimental and commercial sources were analyzed by MIR spectroscopy and chemometrics. The concentrations of guaiacol and 4-methylguaiacol were also determined using gas chromatography-mass spectrometry (GC-MS), as markers of smoke taint. LDA models correctly classified 61% of control wines and 70% of smoke-affected wines. Classification rates were found to be influenced by the extent of smoke taint (based on GC-MS and informal sensory assessment), as well as qualitative differences in wine composition due to grape variety and oak maturation. Overall, the potential application of MIR spectroscopy combined with chemometrics as a rapid analytical technique for screening smoke-affected wines was demonstrated.

Publication types

  • Evaluation Study
  • Research Support, Non-U.S. Gov't

MeSH terms

  • Cresols / analysis*
  • Gas Chromatography-Mass Spectrometry / methods*
  • Guaiacol / analysis*
  • Humans
  • Spectrophotometry, Infrared / methods*
  • Taste
  • Wine / analysis*
  • Wine / classification


  • Cresols
  • Guaiacol
  • creosol