Progress of Cryogenics and Isotopes Separation , ISSN: 1582-2575
2014, Volume 17, Issue 2

Spirits Classification Using 1H NMR and Chemometrics

Raluca Popescu , Oana Romina Dinca , Diana Costinel , Roxana Elena Ionete *

National Research and Development Institute for Cryogenics and Isotopic Technologies - ICSI Rm. Valcea, Uzinei Street no. 4, PO Box Râureni 7, 240050, Râmnicu Vâlcea, Romania

*Corresponding author: Roxana Elena Ionete, E-mail:

Publishing: October 2014


The potential of 1H NMR spectroscopy to differentiate spirits was evaluated. Spirits contain varying proportions of volatile compounds like alcohols, esters, organic acids, etc. In this study 101 samples of distilled beverages (spirits) with different botanical origin were investigated using 1H NMR spectroscopy in order to classify reference samples and to authenticate test samples. Discriminant analysis (DA) was used to differentiate the spirits and to identify the chemical compounds responsible for the discrimination among groups. Grape and cereal spirits differentiated well from fruit spirits. Test samples were correctly classified.


Spirits classification, 1H NMR, volatile composition, chemometrics.

Tag search Spirits classification 1H NMR volatile composition chemometrics