Investigation of Solid Phase Microextraction Gas Chromatography–Mass Spectrometry, Fourier Transform Infrared Spectroscopy and ¹H qNMR Spectroscopy as Potential Methods for the Authentication of Baijiu Spirits

Abstract

The baijiu spirit is often the focus of fraudulent activity due to the widely varying prices of the products. In this work, Solid Phase Microextraction Gas Chromatography (SPME GCMS), Fourier Transform Infrared (FTIR) Spectroscopy and 1H qNMR spectroscopy were evaluated as potential methods to authenticate baijiu samples. Data were collected for 30 baijiu samples produced by seven different distilleries. The data from the SPME GCMS and FTIR methods were treated by a Principal Component Analysis to identify clusters that would suggest chemical differences in the products from different distilleries. The results suggest that SPME GCMS has the potential to be a fully portable method for baijiu authentication. FTIR did not appear suitable for authentication but can be used to find the %ABV range of the sample. 1H quantitative NMR (1H qNMR) was utilized to quantify the ethanol concentrations and calculate the observable congener chemistry comprising ester, ethanol, methanol, fusel alcohol, and organic acids. Discrepancies in ethanol content were observed in three samples, and a lack of major congeners in two samples indicates the possible presence of a counterfeit product. Detailed and quantitative congener chemistry is obtainable by NMR and provides a possible fingerprint analysis for the authentication and quality control of baijiu style, producer, and the length of the ageing process.

Keywords

• baijiu
• FTIR
• ¹H NMR
• qNMR
• SPME GCMS
• PCA