中国药物警戒 ›› 2025, Vol. 22 ›› Issue (8): 883-888.
DOI: 10.19803/j.1672-8629.20250056

• 基础与临床研究 • 上一篇    下一篇

基于UPLC-Q-Exactive Orbitrap HRMS的补心安眠汤体内外化学成分分析

郑海云1, 王志钢2, 吴宏伟3, 王少南1, 王斌1   

  1. 1中国中医科学院中医药科技合作中心,北京 100700;
    2国家中医药管理局科技司,北京 100027;
    3中国中医科学院中药研究所,北京 100700
  • 收稿日期:2025-01-23 出版日期:2025-08-15 发布日期:2025-08-13
  • 作者简介:郑海云,女,硕士,高级工程师,中药与相关健康产品研究。E-mail: 64322766@qq.com
  • 基金资助:
    国家自然科学基金资助项目（81973711、82274685）

Identification of in vitro and in vivo Chemical Constituents of Buxin Anmian Decoction Based on UPLC-Q Exactive Orbitrap HRMS

ZHENG Haiyun1, WANG Zhigang2, WU Hongwei3, WANG Shaonan1, WANG Bin1   

  1. 1Science and Technology Collaborating Center for Chinese Medicine, China Academy of Chinese Medical Sciences, Beijing 100700, China;
    2China Science and Technology Department of National Administration of Traditional Chinese Medicine, Beijing 100027, China;
    3Institute of Chinese Materia Medica, China Academy of Chinese Medical Sciences, Beijing 100700, China
  • Received:2025-01-23 Online:2025-08-15 Published:2025-08-13

PDF (PC)

44

摘要： 目的 基于超高效液相色谱-四极杆/静电场轨道阱高分辨质谱法（UPLC-Q-Exactive Orbitrap HRMS）对补心安眠汤所含化学成分及其入血成分进行定性研究。方法 以50%乙醇作为提取溶剂,制备补心安眠汤的提取物。8只雄性SD大鼠随机分为空白组与给药组,每组4只,给药组按生药量2 g·mL-1进行补心安眠汤混悬液灌胃,空白组灌胃等量0.5%羧甲基纤维素钠水溶液。腹主动脉采血处理后得到的血清样品,采用Waters ACQUITY UPLC BEH Shield RP C18（2.1 mm×100 mm,1.7 μm）色谱柱,以乙腈（A）-0.1%甲酸水溶液（B）为流动相进行梯度洗脱,质谱采用正负离子检测模式、全扫描及自动触发二级质谱扫描功能（Full MS/dd MS2）采集数据,扫描范围m/z 100~1 500。通过一级精确相对分子质量及二级碎片离子信息,与对照品保留时间、Thermo Scientific中药成分数据库（OTCML）质谱数据并结合文献报道,对化学成分进行鉴定。结果 从补心安眠汤中共鉴定出71种化合物,包括22种黄酮类成分、19种三萜类成分、7种脂肪酸类成分、5种苯丙素类成分与18种其他类成分,血浆中检测到21种原型成分。结论 本研究实现了对补心安眠汤中体外化学成分与入血成分的快速表征与鉴定,可为其药效物质与质量控制研究提供参考。

关键词: 补心安眠汤, 超高效液相色谱-四极杆/静电场轨道阱高分辨质谱法, 化学成分, 西洋参, 黄酮, 入血成分, 大鼠

Abstract: Objective To quickly identify the main chemical components of Buxin Anmian decoction in vitro and in vivo using ultra-high performance liquid chromatography-quadrupole-orbitrap mass spectrometry(UPLC-Q-Exactive Orbitrap HRMS) technology. Methods 50% ethanol was used to extract the active components of Buxin Anmian decoction via ultrasound. Eight SPF male SD rats were divided into the administration group and control group using the random number table method, with four rats in each. The rats in the administration group were given the 50% ethanol extract by gavage (the crude drug concentration was 2 g·mL-1), while those in the control group were given an equal dose of 0.5% sodium carboxymethyl cellulose by gavage. Blood samples were collected from the abdominal aorta after administration on the morning of the third day to prepare serum samples. Chromatographic separation was performed on a Waters ACQUITY UPLC BEH Shield RP C18 column (2.1 mm×100 mm, 1.7μm). The mobile phase composed of acetonitrile (A) and water containing 0.1% formic acid aqueous solution (B) was used for gradient elution. Positive and negative ion detection modes were adopted in mass spectrometry. Data was collected via full scan and automatic trigger secondary mass spectrometry (Full MS/dd MS2) . The scan ranged from m/z 100 to 1 500. By comparing the information about the accurate relative molecular mass and secondary fragment ion of the compound with the retention time of the reference substance, OTCML mass spectrometry database and related literature, the main chemical components of the decoration were identified. Results A total of 71 chemical constituents were identified from Buxin Anmian decoction, including 22 flavonoids, 19 triterpenses, 7 fatty acids, 5 phenylpropanoids, and 18 other compounds. Twenty-one prototype constituents were detected in the plasma. Conclusion Rapid multicomponent characterization and identification of Buxin Anmian decoction in vitro and in vivo have been completed in this study, providing data for exploration of effective substances and quality control.

Key words: Buxin Anmian Decoction, UPLC-Q Exactive Orbitrap HRMS, Chemical Constituent, Panax quinquefolius L., Flavonoids, Blood Components, Rats

中图分类号: