谱图检索结合二级质谱定性分析烟草中挥发性成分.pdfVIP

2012 年第70 卷 化 学 学 报 Vol. 70, 2012 第5 期, 649～658 ACTA CHIMICA SINICA No. 5, 649～658 ·研究论文· 谱图检索结合二级质谱定性分析烟草中挥发性成分 吴丽君a 段 佳a 李倩倩a 曹金莉b 刘 玮a 闵顺耕*,a (a 中国农业大学理学院应用化学系 北京 100193) (b 云南省烟草公司大理州公司 云南 671000) 摘要 采用同时蒸馏萃取法提取烟叶中的挥发性成分, 利用气相色谱-质谱联用仪(GC-MS)分离测定, 通过谱库检索和 匹配度定性结合色谱保留指数方法鉴定烟叶中挥发性成分, 并引入离子阱二级质谱对谱库检索匹配度差距小、含量低, 背景干扰大的物质准确定性. 采用谱图检索结合二级质谱定性共鉴定 144 个化合物, 其中 104 个化合物在烟草挥发性 成分的文献中已有报道, 报道中有 9 个化合物是通过二级质谱定性, 其余 40 个化合物还未见报道. 结果表明, 离子阱 二级质谱定性的引入提高了对未知化合物定性的准确性和可靠性, 适合于烟叶这类复杂植物体系的化学组分研究. 关键词 同时蒸馏萃取; 烟叶; 挥发性成分; 离子阱二级质谱 Identification of the Volatile Components in Tobacco by Gas Chro- matograph Coupled with Ion Trap Tandem Mass Spectrometry Wu, Lijuna Duan, Jiaa Li, Qianqiana Cao, Jinlib Liu, Weia Min, Shungeng*,a a ( Department of Applied Chemistry, College of Science, China Agricultural University, Beijing 100193) (b Tobacco Corporation of Yunnan Dali, Yunnan 671000) Abstract The volatile components in tobacco leaves were extracted by simultaneous distillation and ex- traction (SDE), and analyzed by gas chromatography-mass spectrometry (GC-MS). The volatile components in tobacco leaves were identified by library searching and spectral matching combined with retention index. Ion trap tandem mass spectrometry was introduced to identify some components which had tiny difference of library matching, low concentration, and complex matrix. 144 compon