5种清感饮系列制剂同时多成分表征与鉴定

Simultaneous multicomponent profiling and characterization of five Qinggan Yin series preparations

关键词:  清感饮制剂  超高效液相色谱  离子淌度高分辨质谱  HDMS^E  高效表征

Key words:  Qinggan Yin preparation  ultra-high performance liquid chromatography  ion mobility high-resolution mass spectrometry  HDMS^E  efficient characterization

摘要:

目的 分析清感饮系列制剂（春饮、夏饮、秋饮、冬饮与童饮）中化学成分，进行多成分同步表征。方法 利用超高效液相色谱/离子淌度-四极杆-飞行时间质谱数据非依赖高分辨MS^E采集技术（UHPLC/IM-QTOF-HDMS^E），在相同色谱-质谱条件下对清感饮系列制剂及其组方各单味药的色谱图进行比对分析，对复方中色谱峰进行单味药归属，并结合高分辨质谱数据和对照品信息，构建基于UNIFI^TM软件调用自建数据库的自动峰注解流程实现中药成分的智能化、高效鉴定。结果 从清感饮5种制剂中共鉴定177种化学成分，包括73种黄酮类，32种有机酸类，18种单萜类，15种苯乙醇苷类，13种木脂素类，10种三萜皂苷类，6种醌类，5种糖类，3种生物碱类及2种二苯乙烯类化合物。结论 本实验所建立的UHPLC/IM-QTOF-HDMS^E技术适合于鉴定中药复方清感饮系列制剂主要化学成分，为阐明该复方药效物质基础提供了科学依据。

Abstract:

Objective To analyze chemical constituents and synchronously profile the multiple components of Qinggan Yin series preparations (spring/summer/autumn/winter/children).Methods In this work, ultra-high performance liquid chromatography coupled with ion mobility quadrupole time-of-flight mass spectrometry-based data-independent high-definition MS^E (UHPLC/IM-QTOF-HDMS^E) was established to achieve identification and elucidation of chemical constituents in Qinggan Yin series preparations comprehensively and rapidly. The chromatograms of Qinggan Yin series preparations and its single herbs involved were analyzed and compared under the same chromatography-MS conditions. The intelligentized and efficient characterization of Chinese medicine components could be achieved by automatic peak annotation workflows by UNIFI^TM and searching against the in-house libraries.Results A total of 177 compounds were identified or tentatively characterized from five Qinggan Yin preparations, including 73 flavonoids, 32 organic acids, 18 monoterpenoids, 15 phenylethanoid glycosides, 13 lignans, 10 triterpenoid saponins, 6 quinones, 5 sugars, 3 alkaloids, and 2 stilbenes.Conclusion In this study, the UHPLC/IM-QTOF-HDMS^E method established was suitable to determine and analyze the main chemical composition of Qinggan Yin series preparations, which provides an effective scientific basis for clarifying active substances of Qinggan Yin preparations.