防己诺林碱电喷雾质谱裂解的机制  

Fragmentation pathways of the fangchinoline by ESI-MS/MS

作　　者：高鹏[1] 关君[1] 李磊[1] 马群[1] 卢建秋[1] 刘永刚[1] 

机构地区：[1]北京中医药大学中药学院,北京100102

出　　处：《沈阳药科大学学报》2012年第3期208-211,共4页Journal of Shenyang Pharmaceutical University

基　　金：国家自然科学基金资助项目(30901959)

摘　　要：目的对防己诺林碱的电喷雾质谱裂解机制进行研究。方法采用量子化学计算结合电喷雾质谱法预测化合物的质谱裂解机制。结果防己诺林碱电喷雾质谱分析发现,主要脱掉甲醇、羟基自由基和甲烷中性分子,以及发生逆Diels-Alder反应(RDA反应),经量子化学计算确定了脱掉-OCH3的顺序:C17-O40>C6-O43>C33-O34。结论质谱与量子化学有机结合可以预测质谱裂解机制。Objective To study the fragmentation pathways of fangchinoline by etectrospray ionization mass spectrometry （ESI-MSn） and quantum chemistry. Methods Fangchinoline was analyzed by using （ESI-MS~） in positive ion mode. The first and multi-stage mass spectrum diagrams of fangchinoline were obtained. The order of taking off - OCH3 was determined by quantum chemistry. Results It mainly gave characteristic frag- ment ions by the neutral loss of - OCH3, CH4,- OH or RDA reaction. The order of taking off - OCH3 was C17-O40〉C6-O43〉C33-O34. Conclusions The combination of mass spectrometry and quantum chemistry is a simple method that may forecast the fragmentation pathways of alkaloids.

关 键 词：防己诺林碱 电喷雾多级质谱 裂解机制 

分 类 号：R284.1[医药卫生—中药学]