关键词: 气相色谱-质谱法；食醋；多元统计分析；差异代谢

Abstract: This study aimed to analyze the differential volatile metabolites between Sichuan Baoning vinegar and Shanxi aged vinegar, both among the four famous vinegars in China. The volatile compounds of six samples of Sichuan Baoning vinegar and nine samples of Shanxi aged vinegar were qualitatively and quantitatively determined by gas chromatography-mass spectrometry (GC-MS). Using SIMCA-P+14.1 software, principal component analysis (PCA) was performed to examine the overall distribution between the two groups and the stability of the whole analysis process, and then orthogonal partial least-squares discriminant analysis (OPLS-DA) was used to discriminate the overall difference in metabolite profile between the groups. Finally, the points located at both ends of the S-plot with variable influence on projection (VIP) > 1 were selected as the potential markers that contribute the most to the differentiation between the two vinegars, and the differential metabolites between them were found. Multivariate data analysis showed that six flavor substances, furfural, ethyl acetate, 2,4-bis(1,1-dimethylethyl)-phenol, acetic acid, phenyl ethyl acetate and phenyl ethanol, were the potential markers that contributed the most to the discrimination between the two vinegars.

Key words: gas chromatography-mass spectrometry; vinegars; multivariate statistical analysis; differential metabolites