草果挥发油气相色谱-质谱联用指纹图谱的建立及化学识别模式研究

Establishment of GC-MS fingerprint of volatile oil from Tsaoko Fructus and study on chemical pattern recognition

目的:建立不同产地、批次草果挥发油气相色谱-质谱联用(GC-MS)指纹图谱,并评价其质量。方法:采用GC-MS技术建立不同产地、批次的草果挥发油指纹图谱并评价其相似度,结合聚类分析、主成分分析以及熵权TOPSIS法比较不同产地、批次草果挥发油的化学成分差异,并对其品质优劣进行评价。结果:16批次草果挥发油有19个共有峰,相似度在0.967~0.996之间。聚类分析结果显示,16批草果挥发油可以分为3类。主成分分析结果显示共提取出3个主成分,累计方差贡献率为92.500%,16批草果挥发油可以分为3类,最优样品为S11。熵权TOPSIS法结果显示,最优样品同样为S11。结论:建立的GC-MS方法准确可行,可用于评价草果挥发油的质量优劣。

OBJECTIVE To establish the GC-MS fingerprints of volatile oil from Tsaoko Fructus from different production areas with various batches,and to evaluate its quality.METHODS GC-MS technology was used to establish the fingerprints of volatile oil,and similarity evaluation was carried out.Combined with hierarchical cluster analysis,principal component analysis and entropy TOPSIS method,the chemical composition differences in volatile oil from Tsaoko Fructus were compared,and their quality was classified.RESULTS There were 19 common peaks in 16 batches of volatile oil from Tsaoko Fructus,and the similarity was between 0.967 and 0.996.The result of hierarchical cluster analysis showed that the 16 batches of volatile oil from Tsaoko Fructus could be divided into 3 categories.The result of principal component analysis showed that 3 principal components were extracted,and the cumulative variance contribution rate was 92.500%.The 16 batches of volatile oil from Tsaoko Fructus could be divided into 3 categories,and the optimal sample was S11.The result of entropy TOPSIS method showed that the optimal sample was also S11.CONCLUSION The established GC-MS method is accurate and feasible,and can be used to evaluate the quality of volatile oil from Tsaoko Fructus.