【摘要】 采用固相微萃取(SPME)-气相色谱质谱(GC-MS)联用技术分析两种梅花的香气成分,通过保留指数与质谱解析相结合,分别对化合物进行定性分析。采用偏最小二乘回归(PLS)及多元线性回归(MLR)方法分别建立定量结构-色谱保留关系(QSRR)预测模型,并对训练集及测试集中化合物的保留指数进行预测。该研究为建立有效的GC-MS定性方法提供了一定的依据。更多还原

【Abstract】 The volatile fragrance compounds released from fresh flowers of P.mume f.alba Rehd.and P.mume f.alphandii Rehd.were collected and analysized by means of solid-phase microextraction(SPME) coupled to gas chromatography-mass spectrometry(GC-MS).The structure of volatile fragrance compounds were identified by MS and retention index.In this study,the quantitative structure and retention relationship of volatile fragrance compounds were investigated by partial least-squares(PLS) and multiple linear regressions(MLR) models within Cerius2 molecular modeling program package and then validated by predictive ability test.The results showed that the models have perfect predictive ability,and have potential application in GC-MS qualitative analysis.更多还原