GC/MS中保留指数和保留温度回归分析应用于单萜烯结构确认

Identification of Monoterpene by Linear Regression Analysis of Retention Index and Retention Temperature in GC/MS

中文关键词:  GC/MS,回归分析,保留指数,定性分析

英文关键词:GC/MS,linear regression,retention index,qualitative analysis

中文摘要:

      GC/MS定性分析中，由于同分异构体的质谱图相似，常常出现结构鉴定错误.同分异构体化合物的保留行为具有较大地差别，采用文献保留指数和保留温度测定值回归分析方法对2篇已发表论文进行了研究，发现了对单萜烯类同分异构体结构鉴定中存在的错误，并提出可能的正确结构.文献保留指数和保留温度测定值回归分析方法可以简化GC/MS色谱峰的定性分析过程，提高定性分析的准确性，在样品定性分析中具很强的使用价值.

英文摘要:

      Isomers have similar mass spectra but different retention index in GC/MS qualitative analysis. The results can be wrong with the identification of chemical constituents based on the comparison of mass spectra alone. Linear regression method had been presented to study the retention index and retention temperature of compounds from two published papers. Some mistakes with the constituent identification in these papers were found and revised. The regression method presented can simplify the determination of retention indices of component peaks. It provides a powerful method in sample analysis.