摘要
目的:探讨黄檀属植物新黄酮类化合物质谱裂解途径。方法:采用UPLC-Q-TOF-MS/MS技术,针对包括黄檀酚、黄檀醌、黄檀内酯及苯酰苯等亚结构类型在内的新黄酮类化合物,在正或负离子模式下,获得二级质谱碎片,结合ChemBioDraw Ultra 14.0软件,判断裂解碎片的正确性,进而分析得到上述各亚类型化合物的质谱裂解途径。结果:确定4个亚结构类型的新黄酮类化合物裂解途径,即黄檀酚类化合物,在负离子模式下,连续丢失CH_(3)碎片离子后,A环与B环依次失去H_(2)O、CO及C_(2)H_(2)等中性碎片;黄檀醌类化合物,在负离子模式下,依次丢失CH_(3)、CO及H_(2)O等中性碎片;黄檀内酯类化合物,在负离子模式下,依次失去CH_(3)碎片与CO碎片之后,母离子内酯结构丢失中性碎片CO_(2);苯酰苯类,在正离子模式下,羰基2个侧链同时断裂,分别得到2个碎片离子。随后,A环丢失CH_(3)碎片,B环丢失CO碎片。结论:通过对新黄酮类化合物裂解规律的总结,可为新化合物的快速鉴定和活性成分的药代动力学分析提供参考。
Objective:To investigate the mass spectrometry fragmentation pathway of neoflavonoids in Dalbergia genus.Methods:MS/MS spectra of four substructural types of neoflavonoids,including dalbergiphenols,dalbergiones,dalbergins and benzophenones were obtained in the positive or negative ion mode using UPLC-Q-TOF-MS/MS.Then,the correctness of MS fragmentation and the mass spectrometry fragmentation pathway of neoflavonoids were analyzed by ChemBioDraw Ultra 14.0 software.Results:The fragmentation pathways of four substructural types of neoflavonoids were confirmed.Under the condition of the negative ion mode,dalbergiphe⁃nols loss CH_(3)fragment ions.Then the neutral fragments such as H_(2)O,CO and C_(2)H_(2)were successively lost from the A and B rings.Under the condition of the negative ion mode,neutral fragments such as CH_(3),CO and H_(2)O in the structure of dalbergiones were lost.Under the condition of the negative ion mode,the parent ion lactone in the structure of dalbergins further lost the neutral molecule CO_(2)after losing CH_(3)and CO successively.Under the con⁃dition of the positive ion mode,the chains on both sides of carbonyl group in the structure of benzophenones were broken at the same time to form two fragment ions,respectively.Among them,ring A lost CH_(3)fragment and ring B lost CO fragment.Conclusion:These results provide the new information for the rapid identification and phar⁃macokinetic analysis of neoflavonoids in the future.
作者
范胜贤
袁恩
梅慧
张启云
邵峰
唐芳瑞
高良
王樱宜
FAN Sheng-xian;YUAN En;MEI Hui;ZHANG Qi-yun;SHAO Feng;TANG Fang-rui;GAO Liang;WANG Ying-yi(Key Laboratory of Modern Preparation of Traditional Chinese Medicine,Ministry of Education,Jiangxi University of Chinese Medicine,Nanchang 330004,China;Jiangxi University of Chinese Medicine Large Precision Instrumen Sharing Service Center,Jiangxi University of Chinese Medicine,Nanchang 330004,China;Research Center for Differentiatuion and Development of Traditional Chinese Medicine Basic Theory,Jiangxi University of Chinese Medicine,Nanchang 330004,China)
出处
《药物分析杂志》
CAS
CSCD
北大核心
2023年第8期1312-1320,共9页
Chinese Journal of Pharmaceutical Analysis
基金
国家自然科学基金(82160733)
江西省中医药管理局科技项目(2019A025)
江西省教育厅科技项目(GJJ201203)
江西省卫生与健康委员会科技项目(202131043)
江西中医药大学博士启动基金项目(2019WBZR002)。