基于非靶标代谢组学的不同烈性酒识别与归类技术研究

Research on Different Spirits Identification and Classification Techniques Based on Non-Target Metabolomics

目的:研究适用于不同类型及品牌烈性酒的识别与归类技术。方法:基于烈性酒非靶标代谢组学技术,使用气相色谱质谱联用仪收集烈性酒原始数据,利用NIST质谱库确认非靶标代谢物,利用R软件进行聚类分析、主成分分析及偏最小二乘法判别分析等组学分析,并分别采用真假烈性酒对该技术进行验证。结果:采用气相色谱质谱联用仪在特定仪器条件下共检测出61种非靶标代谢物,对原始数据进行组学分析发现不同类型及品牌烈性酒均可较好的聚集,并无发生重叠,使用真假烈性酒可成功验证该方法。结论:该方法可作为一种基于非靶标代谢组学的不同烈性酒识别与归类技术为我国进出口监管部门提供科学监管支撑。

Objective:To study the identification and classification technology applicable to different types and brands of spirits.Method:Based on the non-target metabolomics technology of spirits,the original data of spirits were collected by gas chromatography-mass spectrometry,the non-target metabolites were confirmed by NIST mass spectrometry library,and the clustering,principal component analysis and partial least squares discriminant analysis were performed by R software,and finally the real and fake spirits were used to verify the technology.Result:A total of 61 non-target metabolites were detected by gas chromatography-mass spectrometry under specific instrument conditions,and omics analysis of the original data showed that different types and brands of spirits could be well aggregated without overlap,and the method could be successfully verified by using real and fake spirits.Conclusion:This method can be used as a technology for the identification and classification of different spirits based on non-target metabolomics,and provide scientific regulatory support for China’s import and export regulatory authorities.