烟草挥发性成分的谱图检索结合保留指数和准确质量定性

Identification of Volatile Compounds in Tobacco via Spectra Database Retrieval Combined with Accurate Mass and Retention Index

摘要: 为更准确地给烟草中挥发性成分定性,采用同时蒸馏萃取和GC/MS,GC/TOFMS对烟草中的挥发性成分进行了分离,并采用谱库检索,结合保留指数和准确质量进行定性。结果显示:GC/MS谱库检索,结合保留指数和由GC/TOFMS得到的准确分子质量定性,可以明显提高烟草中挥发性成分定性分析的准确性和可靠性,尤其是同分异构体。

Abstract: For improving the accuracy in identification,the volatile compounds in tobacco were extracted with simultaneous distillation and extraction(SDE),separated by GC/MS and GC/TOFMS,and identified via standard spectra retrieval combined with retention index and accurate mass.The results showed that the accuracy and reliability in qualitative analysis of volatile compounds in tobacco were significantly improved,especially for isomers.