基于UHPLC-Q-Exactive-Plus-Orbitrap-HRMS的益肾养元颗粒化学成分分析

Chemical Constituents Analysis of Yishen yangyuan Granules Based on UPLC-Q-Exactive-Plus-Orbitrap-HRMS

关键词:  益肾养元颗粒  超高效液相色谱-四级杆-静电场轨道阱高分辨质谱技术  化学成分  鉴定

Key words:  Yishen yangyuan granules  UHPLC-Q-Exactive-Plus-Orbitrap-HRMS  chemical components  identification

摘要:

目的 分析益肾养元颗粒的化学成分。方法 采用超高效液相色谱-四级杆-静电场轨道阱高分辨质谱技术进行分析，Hypersil GOLD C18为色谱柱，以0.1%甲酸溶液-乙腈为流动相进行梯度洗脱，流速为0.3 mL/min，柱温为35 ℃，进样量为1 ?L；采用电喷雾离子源，在正、负离子模式下进行检测。数据使用Compound Discoverer3.2和Xcalibur4.4软件进行处理，结合化合物的一级、二级质谱信息，对照品质谱信息和文献数据等鉴定各化学成分，并对各化学成分进行药材归属。结果 从益肾养元颗粒中共鉴定分析出237个化合物，包括有机酸类64个、黄酮类41个、萜类20个、生物碱类17个、氨基酸类16个、香豆素类11个、糖类12个、鞣质类11个、二苯乙烯苷类8个、蒽醌类8个、环肽类5个、辅料1个和其他类23个。结论 本研究分析鉴定了益肾养元颗粒的主要化学成分，为其进一步的药效物质基础研究和质量控制奠定了基础。

Abstract:

OBJECTIVE To analyze chemical components of Yishen yangyuan granules. METHODS UHPLC-Q-Exactive-Plus-Orbitrap-HRMS technique was adopted, The separation was performed on a Hypersil GOLD C18 column with a gradient elution of 0.1% formic acid solution-acetonitrile as the mobile phase at a flow rate of 0.3 mL/min and a column temperature of 35 ℃, and sample size was 1 μL. The eluent was detected in positive and negative ion modes using an electrospray ionization source. The data was processed by Xcalibur 4.3 and Compound Discoverer 3.3 software, combined with the primary and secondary mass spectrometry information of the compounds, and the chemical components were identified against the mass spectral information and literature data, and the medicinal materials of each chemical component were attributed. RESULTS 237 compounds were analysed and identified from Yishen yangyuan granules, including 64 organic acids, 41 flavonoids, 20 terpenoids, 17 alkaloids, 16 amino acids, 11 coumarins, 12 sugars, 11 tannins, 8 stilbene glycosides, 8 anthraquinones, 5 cyclic peptides, 1 excipients and 23 other compounds. CONCLUSION In this study, the main chemical components of Yishen yangyuan granules were analyzed and identified, providing a reference for further research on the material basis of the medicinal effects of its and quality control studies.