槲叶雪莲花的挥发油GC-MS分析

The chemical constituents of the essential oil from the whole plants of Saussurea quercifolia were analyzed by GC-MS.More than 70 peaks were separated and 56 compounds were identified.The main chemical compounds of the essential oil were phytone,zingiberenol,bisabolol and β-selinene etc.

槲叶雪莲花挥发油化学成分色谱保留值的预测

依据价连接性指数(Xi)和电性拓扑状态指数(En)构建56种槲叶雪莲花挥发性组分色谱保留时间(tR)的数学预测模型,tR=-10.219+2.933X1+0.488E13+0.690E14+0.319E16。该模型的相关系数R=0.974,LOO(levae-one-out)交互验证相关系数Rcv为0.978,证明所建模型具有良好的稳健性及预测能力。结果表明,价连接性指数和电性拓扑状态指数能够较全面地表征分子结构特征,有效揭示影响化合物色谱保留时间的本质因素。