基于广泛代谢组学的白兰地非挥发化合物鉴定及差异分析

Identification and differences of non-volatile compounds in brandy based on widely targeted metabolomics

白兰地是一种风味独特的酒精饮品,而相对于香气成分,其非挥发化学组成特征研究相对较少。因此,该研究以3个不同来源的典型干邑白兰地为研究对象,利用基于超高效液相色谱-串联质谱(ultra performance liquid chromatography, UPLC-MS/MS)的广泛靶向代谢组学技术检测分析了白兰地中非挥发代谢物的组成及差异。结果显示,UPLC-MS/MS共鉴定出十类638种非挥发代谢物,其中酚类(257种)种类最为丰富。主成分分析和层次聚类分析结果表明,3个不同来源干邑白兰地非挥发代谢物具有显著差异。应用正交偏最小二乘判别分析和t-检验,共筛出170个差异代谢物。KEGG途径分析结果表明,差异化合物与橡木的代谢途径相关,其主要富集于植物激素信号转导、半乳糖代谢、黄酮类化合物的生物合成、苯丙烷类生物合成。该研究较为全面地揭示了白兰地非挥发代谢物指纹图谱,为深入认识白兰地的风味组成提供数据参考及理论依据。

Brandy is an alcoholic beverage with a unique flavor.However,a few studies have been performed on the characteristics of non-volatile chemical components compared to aroma components.Therefore,in this study,the composition and differences of non-volatile metabolites in three typical Cognac brandies were measured by widely targeted metabolomics coupled with an ultra-high performance liquid chromatography-mass spectrometry(UPLC-MS/MS).Results showed that 638 nonvolatile metabolites from 10 classes were identified,with phenols(257)being the most abundant category.The non-volatile metabolites of Cognac brandies from different sources were more significantly different bases on the principal component analysis(PCA)and hierarchical cluster analysis(HCA).A total of 170 differential metabolites were selected by orthogonal partial least squares discrimination analysis(OPLS-DA)and t-test.Furthermore,the KEGG pathway enrichment analysis showed that the differential compounds were associated with the metabolic pathways of oak,which were mainly enriched in plant hormone signal transduction,galactose metabolism,flavonoid biosynthesis,and phenylpropanoid biosynthesis.The study comprehensively revealed the fingerprints of the non-volatile metabolites in brandy,providing data reference and theoretical evidence for a deeper understanding of the flavor composition of brandy.