基于LC-MS和GC-MS结合多元统计的白酒酚类成分分析

Component analysis of phenols in Baijiu based on LC-MS and GC-MS combined with multivariate statistics

采用液相色谱-质谱联用法(LC-MS)和气相色谱-质谱联用法(GC-MS)建立14种酚类化合物的定性定量检测方法,对12种香型38个白酒样品进行检测,并对结果进行多元统计分析。结果表明,在检测范围内各线性相关系数R^(2)≥0.997,检出限为0.62~6.42μg/L,定量限为1.44~12.25μg/L,加标回收率为86.50%~104.35%。12种香型白酒酚类化合物的组成和含量有差异,挥发性酚类化合物的种类和含量比不挥发性酚类化合物更多,白酒中含量相对较高的不挥发性和挥发性酚类化合物分别是阿魏酸和4-甲基苯酚。通过聚类分析(CA)对不同白酒的香型进行分类,并用主成分分析(PCA)解析影响各香型白酒分布的特征酚类化合物。白酒中酚类化合物准确的定量测定技术以及结合多元统计分析可为白酒的品质研究提供理论依据。

The qualitative and quantitative determination methods of 14 phenols were established by liquid chromatography-mass spectrometry(LC-MS)and gas chromatography-mass spectrometry(GC-MS), and 38 Baijiu(Chinese liquor) samples with 12 flavor types were determined. Then all date were analyzed by the means of multivariate statistics. The results showed that each linear correlation coefficient R^(2) in the detection range was≥0.997, limits of detection were 0.62-6.42 μg/L, limits of quantification were 1.44-12.25 μg/L, and recoveries were 86.50%-104.35%. The compositions and contents of phenols in 12 flavor types of Baijiu were different. The types and contents of volatile phenols were higher than the non-volatile phenols, and the relatively high concentrations of non-volatile and volatile phenols, and the relatively high contents of non-volatile and volatile phenols in Baijiu were ferulic acid and 4-methylphenol, respectively. The flavor types of different Baijiu were classified by cluster analysis(CA), and characteristic phenols affecting the distribution in each flavor type of Baijiu were analyzed by principal component analysis(PCA). The accurate quantitative determination techniques for phenols in Baijiu and the combination of multivariate statistical analysis could provide a theoretical basis for the study of Baijiu quality.