非靶向代谢组学法判别酱香习酒质量等级

Quality grade discrimination of Jiangxiang Xijiu by non-targeted metabolomics method

中文关键词:  超高效液相色谱-高分辨质谱法  非靶向代谢组学  酱香习酒  聚类分析  主成分分析

英文关键词:ultra performance liquid chromatography-high resolution mass spectrometry  non-targeted metabolomics  Jiangxiang Xijiu  cluster analysis  principal component analysis

中文摘要:

      目的 建立非靶向代谢组学法判别酱香习酒质量等级的方法。方法 采用超高效液相色谱-高分辨质谱法(ultra performance liquid chromatography-high resolution mass spectrometry, UPLC-HRMS)结合非靶向代谢组学技术分析不同质量等级酱香习酒, 筛选不同等级酒样的主要特征化合物, 并建立主成分分析(principal component analysis, PCA)模型判别酱香习酒质量等级。运用Compound Discoverer 3.2代谢组学分析软件处理检测数据并分析酒样中特征化合物信息。结果 主成分分析PC1和PC2累积方差贡献率之和为67.5%, 能够较全面反应酒样特征。聚类热图和主成分分析可明显区分不同质量等级酒样, 且4个不同等级酒样分类结果符合实际酒样信息。结论 非靶向代谢组学技术可用于区分酱香习酒的不同质量等级, 同时可反映出不同质量等级酒样的差异性及其相应特征化合物信息。

英文摘要:

      Objective To establish a non-targeted metabolomics method for identifying the quality grade of Jiangxiang Xijiu. Methods The different quality grades of Jiangxiang Xijiu were analyzed by ultra performance liquid chromatography-high resolution mass spectrometry (UPLC-HRMS) combined with non-targeted metabolomics technology, and different grades of liquor samples were screened, the quality grade of Jiangxiang Xijiu was distinguished by principal component analysis (PCA) model. The detection data was processed by Compound Discoverer 3.2 metabolomics analysis software and the characteristic compound information in the liquor samples was analyzed. Results The cumulative contribution rate of PC1 and PC2 in principal component analysis reached 67.5%, which could fully reflect the characteristics of samples. The results showed that the clustering heat map and principal component analysis could clearly distinguish the different grades of samples, and the classification results of 4 different grades of wine samples were consistent with the actual wine sample information. Conclusion Non-targeted metabolomics technology can be used to distinguish different quality grades of Jiangxiang Xijiu, which can also reflect the differences of different quality grades of liquor and the corresponding characteristic compound information.