高鹏,关君,李磊,马群,卢建秋,刘永刚
GAO Peng,GUAN Jun,LI Lei,MA Qun,LU Jian-qiu,LIU Yong-gang(School of Pharmacy

• 1:北京中医药大学中药学院

摘要(Abstract)：

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-MSn) 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 fragment 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(KeyWords)： 防己诺林碱;电喷雾多级质谱;裂解机制
fangchinoline;ESI-MS/MS;fragmentation pathways

Abstract:

Keywords:

基金项目(Foundation): 国家自然科学基金资助项目(30901959)

作者(Author): 高鹏,关君,李磊,马群,卢建秋,刘永刚
GAO Peng,GUAN Jun,LI Lei,MA Qun,LU Jian-qiu,LIU Yong-gang(School of Pharmacy

DOI: 10.14066/j.cnki.cn21-1349/r.2012.03.006

参考文献(References)：

• [1]高光耀,肖培根.双苄基异喹啉类生物碱在植物界的分布及生理活性研究概况[J].天然产物研究与开发,1998,11(3):96-97.
• [2]李锐,周燕,黄胜雄.5-溴粉防己碱合成产物中微量杂质的ESI-MSn快速鉴定[J].分析化学,2005,24(4):24.
• [3]刘继红,曹书霞,卢建莎.三磷酸腺苷的电喷雾质谱裂解规律研究[J].分析测试学报,2009,28(3):283-287.