高效液相色谱/质谱联用表征是化学袁征的重要内容,本文通过高效液相色谱/质谱联用方法系统表征中药标准组分,采用了电喷雾电离源(ESI)、大气压化学电离源(APCI)的正负离子扫描模式,获取标准组分在统一分析条件下,不同表征模式中化合物的光谱、质谱信息。通过对不同标准组分中大量表征数据的比对和分析可发现和归纳色谱、质谱规律,用于不同药材的成分差异性研究,以及由系统制备得到的同种药材不同层次标准组分中成分与含量的变化,为制备成分的确定和高效制备条件及参数的优化提供基础。建立包含分析方法的标准组分色谱质谱数据库,结合色谱、质谱规律,实现已知化合物的搜索匹配与自动质谱解析；预测和发现结构类似的未知化合物,提高研究效率,加强中药物质基础研究的系统性和深入性。

The high performance liquid chromatography/mass spectrometry (HPLC/MS) is one of important contents of chemi- cal characterization.The standard multi-components of traditional Chinese medicine were characterized by HPLC/MS in both ESI and APCI,negative and positive ion modes.The relative standard analytical method was developed to ob- tain MS and spectrum data which were used to compare,analyse and conclude the rule of chromatographys and MS. The data were also used to compare the difference of standard multi-components of traditional Chinese medicine ob- tained from the systemic separation,which will help to identify the components in the separation.The data obtained by HPLC/MS might be an important basis of confirmation of separation aim and optimizations of separation condition. Hence,the database based on abundant HPLC/MS information including method was developed.,The informatics database combined with the rule of chromatography and MS will facilitate realization of search and mat...更多ch of known compound automatically.The auto MS parse and prediction of unknown compounds might play an important role on improvement of the efficiency of research.The systematic and further investigation on chemical constitution of TCM can be strengthened.

中国科学院知识创新工程重要方向项目(KGCX2-SW-213)基于现代理论和技术的复方中药系统研究;; 国家自然科学基金重点项目(20235020)中药药效组分的指纹图谱分析的方法研究