NCP4及其结构类似物9-硝基喜树碱和10-羟基喜树碱的质谱裂解规律研究  

Study on the mass fragmentation pathway of NCP4,9-nitrocamptothecin and 10-hytroxycamptothecin

作　　者：李文学[1,2] 何菁宇[1,2] 曹娣[2,3] 宋粉云[3] 范国荣[1,2] 

机构地区：[1]福建中医药大学药学院,福建福州350122 [2]第二军医大学药学院药物分析学教研室/上海市药物(中药)代谢产物研究重点实验室,上海200433 [3]广东药学院药科学院,广东广州510006

出　　处：《广东药学院学报》2013年第3期240-245,共6页Academic Journal of Guangdong College of Pharmacy

基　　金：科技部"重大新药创制"科技重大专项(2009ZX09103-123;2012ZX09102101-005)

摘　　要：目的探讨喜树碱类似物NCP4及其结构类似物9-硝基喜树碱和10-羟基喜树碱的质谱裂解规律。方法在正负离子检测模式下,分别对NCP4、9-硝基喜树碱和10-羟基喜树碱进行ESI-MS^n质谱分析,并用Mass Frontier 6.0软件辅助解析其中的主要特征碎片离子以及可能的裂解途径,对NCP4、9-硝基喜树碱和10-羟基喜树碱的电喷雾电离质谱裂解规律进行系统的研究。结果在正离子模式下,从NCP4获得m/z 516、472、416、350特征质谱峰,从9-硝基喜树碱获得m/z 394、365、350、304等特征质谱峰,从10-羟基喜树碱获得准分子离子峰m/z 365、321、293、265;在负离子模式下,从NCP4获得m/z 448、419、391、330特征质谱峰,从9-硝基喜树碱获得m/z 392、348、304等特征质谱峰,从10-羟基喜树碱获得准分子离子峰m/z363、319、291。结论从正负离子条件下裂解的碎片结果,推测NCP4主要通过丢失—NO_2、—CO_2和-C_4H_8而发生裂解;9-硝基喜树碱和10-羟基喜树碱主要通过丢失—CO_2而发生裂解。Objective To study the fragmentation pathway of NCP4, 9-nitrocamptotheein and 10- hytroxycamptothecin. Methods In positive and negative modes, NCP4, 9-nitrocamptothecin and 10- hytroxycamptothecin were identified by ES1-MSn. Their fragmentation pathways were explained with the aid of frontier 6.0 program. The comparison of the fragmentation mechanism of NCP4,9-nitroeamptothecin and 10-hytroxycamptothecin were made. Results In positive mode,ion peaks m/z 516 [ M ＋ Na] ＋ ,472,416, 350 were detected for NCP4 ,m/z 394 [ M ＋ H ] ＋ , 365,350,304 for 9-nitrocamptothecin, m/z 365 [ M ＋ H] ＋ ,321,293,265 for 10-hytroxycamptothecin. In negative mode,ion peaks m/z 448,419,391,330 were detected for NCP4. m/z 392 [ M - Hl - ,348,304 for 9-nitrocamptothecin, m/z 363 [ M - Hl - ,319,291 for 10-hytroxycamptothecin. Conclusion NCP4 was cracked by losing --NO2 ,--CO2 and --C4Hs ,and 9- nitrocamptothecin and 10-hytroxycamptothecin were cracked by losing --CO2.

关 键 词：NCP4 9-硝基喜树碱 10-羟基喜树碱 质谱分析 裂解规律 

分 类 号：R979.1[医药卫生—药品] O657.63[医药卫生—药学]