应用基于LC-TOF-MS分析的质量亏损过滤方法筛选黄芪注射液中的皂苷类成分

Screen astragalosides from Huangqi injections by LC-TOF-MS-based mass defect filtering approach

采用液相色谱与四极杆飞行时间质谱(LC-TOF-MS)联用技术分析黄芪注射液(HI)样品,获取正负离子模式下HI中化学成分的LC-TOF-MS分析数据。根据前期相关文献报道,建立黄芪皂苷类化合物的质量亏损过滤(MDF)方法,用于系统筛选HI中所含有的皂苷类成分。每个筛选化合物的存在需由不少于2个准分子离子进行确认。最后依据其母离子和子离子信息对所筛选的化合物进行初步鉴定。最终共从HI中筛选并初步鉴定出62个皂苷类化合物,其中15个为新发现的皂苷类化合物。鉴定结果提示,乙酰化、氢化、去氢化、甲氧基化和水化可能为HI中皂苷所涉及的主要转化反应。该研究丰富了黄芪化学物质基础研究内容,同时也表明基于LC-TOF-MS分析的MDF方法,是一种可行且有效的中药成分系统筛选工具。

The samples of Huangqi injection（ HI） were analyzed by liquid chromatography coupled with quadrupole time-of-flight mass spectrometry（ LC-TOF-MS）,and both positive and negative ion modes were employed to obtain the LC-TOF-MS analysis information of chemical compounds in HI. Then the mass defect filtering（ MDF） approach,which was developed based on the previously published articles,was utilized to rapidly screen the astragalosides from the obtained LC-TOF-MS data. Each screened astragaloside was confirmed by the presence of no less than 2 quasi-molecular ions. All the screened astragalosides were then tentatively assigned according to the parent ion and daughter ion information. Finally,a total of 62 astragalosides were screened and characterized from the HI samples,including 15 new detected ones. The identification results indicated that acetylation,hydrogenation,dehydrogenation,methoxylation and hydration might be the major conversion reactions involved in the formation of the astragalosides. The LC-TOF-MSbased MDF approach was proved to be a feasible and efficient tool to screen the chemical constituents in complex matrices such as herbal medicines.