UPLC-HRMS法表征乌药汤中的化学成分  

Determination of chemical constituents of Wuyao decoction by UPLC-HRMS method

作　　者：郝莹 张清清 李想 樊丽兰 王红芳 廖安璐 赵晓艺 李春花 HAO Ying;ZHANG Qingqing;LI Xiang;FAN Lilan;WANG Hongfang;LIAO Anlu;ZHAO Xiaoyi;LI Chunhua(College of Pharmacy,Hebei University of Chinese Medicine,Shijiazhuang,Hebei,050200 P.R.China;Hebei Higher Education Applied Technology Research Center of TCM Development and Industrialization,Hebei University of Chinese Medicine,Shijiazhuang,Hebei,050091 P.R.China;Hebei Technology Innovation Center of TCM Formula Preparations,Hebei University of Chinese Medicine,Shijiazhuang,Hebei,050091 P.R.China)

机构地区：[1]河北中医药大学药学院,河北石家庄050200 [2]河北中医药大学河北省高校中药开发与产业化应用技术研发中心,河北石家庄050091 [3]河北中医药大学河北省中药组方制剂技术创新中心,河北石家庄050091

出　　处：《华西药学杂志》2025年第2期163-169,共7页West China Journal of Pharmaceutical Sciences

基　　金：河北省自然科学基金资助项目(H2022423325);河北中医学院大学生创新创业训练计划项目(202414432204)。

摘　　要：目的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(UPLC-Q-Exactive-Orbitrap HRMS)对经典名方乌药汤中的化学成分进行系统表征。方法采用ESI离子源,正离子扫描模式,选用C_(18)色谱柱(100 mm×2.1 mm,1.7μm),以0.5%甲酸(A)-乙腈(B)为流动相进行梯度洗脱,柱温为30℃,流速0.3 mL·min^(-1),进样量1μL,扫描范围m/z 100~1000。通过准分子离子峰的精确质量数、保留时间、二级裂解碎片、自建数据库、对照品比对及相关文献,分析乌药汤中的化学成分。结果在乌药汤水煎液样品中,共鉴定或推断出94个化合物,包含10个苯酞类化合物、42个黄酮类化合物、15个萜类化合物、9个生物碱类化合物、7个香豆素类化合物、4个有机酸类化合物及7个其他类化合物。结论所用方法能快速可靠地表征乌药汤中的化学成分,为乌药汤的药效物质研究及剂型改进奠定了基础。OBJECTIVE To systematically characterize the chemical components in the classical famous prescriptions Wuyao decoction based on the UPLC-Q-Exactive-Orbitrap HRMS.METHODS Electrospray ionization source was used under positive ion scan mode.ACQUITY UPLC BEH-C18 column(100 mm×2.1 mm,1.7μm)was used,and the mobile phase consisted of 0.5%formic acid solution(A)-acetonitrile(B)solution for gradient elution.The column temperature was set at 30℃with the flow rate of 0.3 mL·min^(-1),the sample volume of 1μL;and the scanning range of m/z 100~1000.Through the accurate mass of the excimer ion peak,comparison of retention time,secondary fragmentation fragments,self-built databases,reference substance and related literature,the compounds in Wuyao decoction were analyzed.RESULTS A total of 94 compounds were identified or deduced in the sample of Wuyao decoction,including 10 phthalein compounds,42 flavonoid compounds,15 terpenoids,9 alkaloids,7 coumarin compounds,4 organic acid compounds,and 7 other compounds.CONCLUSION This method can identify the chemical components of Wuyao decoction quickly and reliably,laying the foundation for further research on the pharmacological substances and formulation improvement of Wuyao decoction.

关 键 词：乌药汤 化学成分 液质联用技术 乌药 当归 木香 香附 甘草 

分 类 号：R917[医药卫生—药物分析学]