Abstract：
Whisky, brandy, rum, and Chinese baijiu are popular distilled spirits globally, and the volatile components play an essential role in the aroma of these distilled liquors. Volatile compounds in whisky, brandy, rum, and three main aroma types of Chinese baijiu (strong, light, and sauce) were investigated using comprehensive two-dimensional gas chromatography-time-of-flight mass spectrometry (GC×GC-TOFMS). Two significant variable detection approaches, the variable importance in the projection (VIP) and nonparametric test (Mann-Whitney U test), were compared to determine the volatile markers among these samples. It was found that the VIP model was more efficient in screening significant variants than the U test. A total of 117 common markers were selected by both the VIP and U test methods with potential aroma contributions. Esters and acids were the main aroma markers for baijiu, diethyl esters were the main aroma markers for brandy, whereras pyrazines, lactones, and furans were the main aroma markers for whisky. Based on the chosen markers, different unknown distilled liquors were successfully classified in the model validation. This study provided a feasible methodology for spirit sample speculation based on volatile composition obtained by GC×GC-TOFMS.
摘要：
威士忌,白兰地,朗姆酒,中国白酒是全球流行的蒸馏酒，挥发性成分在这些蒸馏酒的香气中起着至关重要的作用。威士忌中的挥发性化合物,白兰地,朗姆酒,和中国白酒的三种主要香气类型(浓烈，光,和酱汁）使用全面的二维气相色谱-飞行时间质谱（GC×GC-TOFMS）进行了研究。两种重要的变量检测方法，投影中的变量重要性(VIP)和非参数检验(Mann-WhitneyU检验)，进行了比较，以确定这些样品中的挥发性标志物。发现VIP模型在筛选显著变体方面比U检验更有效。通过VIP和U测试方法共选择了117个具有潜在香气贡献的常见标记。酯和酸是白酒的主要香气标记，二乙酯是白兰地的主要香气标记，其中吡嗪,内酯,呋喃是威士忌的主要香气标志。根据选择的标记，在模型验证中成功分类了不同的未知蒸馏液.该研究为基于GC×GC-TOFMS获得的挥发性成分的烈酒样品推测提供了可行的方法。
