【作者】 郭建明； 薛彩福； 段金廒； 尚尔鑫； 钱大玮； 唐于平； 欧阳强； 沙美；

【Author】 Jianming Guo~1,Caifu Xue~1,Jin-ao Duan~(1*),Er-xin Shang~1,Dawei Qian~1,Yuping Tang~1, Qiang Ouyang~2,Mei Sha~2. 1.Nanjing University of Chinese Medicine,Nanjing 210046,PR China; 2.Jiangsu SZYY Group Pharmaceutical Limited,Nanjing 210016,PR China)

【机构】 南京中医药大学； 南京苏中药物研究有限公司；

【摘要】 在复杂样品分析中,同时获得分子离子峰/碎片离子信息及后续结构鉴定往往需要耗费大量时间与样品。本文中,作者利用超高效液相-飞行时间质谱结合MassFragment软件快速分离鉴定黄葵胶囊多种成分。利用MSE一次进样即可在高/低能量下同时获得分子离子及碎片离子信息,利用此项技术快速鉴定了黄葵胶囊中12种成分。接下来,利用MassFragment软件辅助确定所推测出的成分结构。本研究表明超高效液相-飞行时间质谱结合MassFragment软件可作为一种快速分离鉴定中药复杂成分的新方法,并可在中药复杂成分鉴定研究中得到广泛应用。更多还原

【Abstract】 In the analysis of complex sample,the acquisition of both precursor and fragment ion spectra and the subsequent structure elucidation is usually time and sample consuming.In this paper,an ultra performance liquid chromatography(UPLC) quadrupole-time-of-flight mass spectrometry with collision energy(QTOF MS~E) and MassFragment approach is applied for fast separation and characterization of major constituents in HuangKui Capsule (HKC).MS~E was used for simultaneous acquisition of precursor ion information and fragment ion data at high and low collision energy,which facilitate the-fast structural characterization of 12 constituents in HKC in one analytical run. Furthermore,MassFragment was used for the fast confirmation of the proposed structure.The present study provided important information about the constituents in HKC.Moreover,this work demonstrated the potential of the UPLC/QTOF MS~E and MassFragment as a useful approach for fast identification of complex constituents in TCM and could be applied to the generation of more complex data for TCM studies.更多还原