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基于UPLC-Q-TOF-MS/MS技术的酸枣仁汤颗粒化学成分分析 被引量:39

Identification of Chemical Constituents in Suanzaoren Tang Granules by UPLC-Q-TOF-MS/MS
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摘要 目的:建立一种全面、深度分析市售酸枣仁汤颗粒化学成分的检测方法。方法:采用超高效液相色谱-四极杆-飞行时间质谱法(UPLC-Q-TOF-MS/MS),检测条件设定为流动相0.1%甲酸水溶液(A)-乙腈(B)梯度洗脱(0~8 min,5%~17%B;8~10 min,17%B;10~11 min,17%~18%B;11~12 min,18%~20%B;12~17 min,20%~23%B;17~22 min,23%~33%B;22~30 min,33%~60%B;30~32 min,60%~100%B;32~36 min,100%B),流速0.3 mL·min-1,电喷雾离子源(ESI),在正、负离子模式下分别进行扫描并采集高质量MS/MS数据;扫描范围m/z 50~1500。利用SCIEX OS软件建立酸枣仁汤中单味中药材化学成分的本地数据库。借助高分辨质谱仪提供的化合物精确相对分子质量和二级质谱等信息,与本地数据库匹配,并结合文献和对照品的相应信息,完成对目标化合物的筛查。结果:在正、负离子模式下共推断和鉴别出134个化合物,主要为黄酮类、三萜类、苯酞类、甾体皂苷类、生物碱类和有机酚酸类,并对所有化合物的药材来源进行了归属,其中41个化合物来源于酸枣仁,11个化合物来源于茯苓,22个化合物来源于知母,28个化合物来源于川芎和35个化合物来源于甘草。结论:该方法能系统、快速、准确地鉴定酸枣仁汤颗粒中的化学成分,可为经典名方酸枣仁汤的物质基础研究和新药研发提供实验依据,还可为其他中成药的化学成分分析提供参考。 Objective: A comprehensive and in-depth analysis method for identification of chemical constituents in Suanzaoren Tang granules was established. Method: Ultra-performance liquid chromatographyquadrupole-time of flight mass spectrometry(UPLC-Q-TOF-MS/MS)was employed with the mobile phase of0.1% formic acid aqueous solution(A)-acetonitrile(B)for gradient elution(0-8 min,5%-17%B;8-10 min,17%B;10-11 min,17%-18%B;11-12 min,18%-20%B;12-17 min,20%-23%B;17-22 min,23%-33%B;22-30 min,33%-60%B;30-32 min,60%-100%B;32-36 min,100%B),the flow rate of 0.3 mL·min-1 and electrospray ionization(ESI). High quality MS/MS data were scanned in positive and negative ion modes with scanning range of m/z 50-1 500. The local database of the chemical components from different Chinese medicines in Suanzaoren Tang granules was established by SCIEX OS software. Then the chemical components in Suanzaoren Tang granules were characterized by matching with the local database and comparing with the reference substance and literature information. Result: A total of 134 compounds were characterized and identified under positive and negative ion modes, mainly including flavonoids, triterpenoids, phthalides,steroidal saponins,alkaloids and organic phenolic acids. In addition,the sources of Chinese medicines for all compounds identified in Suanzaoren Tang granules were assigned. Among them,41 were from Ziziphi Spinosae Semen,11 were from Poria,22 were from Anemarrhenae Rhizoma,28 were from Chuanxiong Rhizoma and 35 were from Glycyrrhizae Radix et Rhizoma. Conclusion: The method can be used to identify the chemical constituents in Suanzaoren Tang granules systematically,quickly and accurately,which can provide a new strategy for the rapid and accurate identification of other Chinese patent medicines.
作者 刘佳星 魏洁 武锦春 杜晨晖 闫艳 LIU Jia-xing;WEI Jie;WU Jin-chun;DU Chen-hui;YAN Yan(Modern Research Center for Traditional Chinese Medicine,Shanxi University,Taiyuan 030006,China;Institute of Chinese Materia Medica and Food Engineering,Shanxi University of Chinese Medicine,Taiyuan 030619,China)
出处 《中国实验方剂学杂志》 CAS CSCD 北大核心 2021年第12期1-12,共12页 Chinese Journal of Experimental Traditional Medical Formulae
基金 国家自然科学基金青年基金项目(81603289,81603251) 山西省科技攻关计划振东专项(2016ZD0105) 地产中药功效物质研究与利用山西省重点实验室项目(201605D111004) 山西省青年科研人员培育计划项目(05)。
关键词 酸枣仁汤 颗粒剂 超高效液相色谱-四极杆-飞行时间质谱法(UPLC-Q-TOF-MS/MS) 定性分析 化学成分 质量评价 经典名方 Suanzaoren Tang granules ultra-performance liquid chromatography-quadrupole-time of flight mass spectrometry(UPLC-Q-TOF-MS/MS) qualitative analysis chemical constituents quality evaluation famous classical formulas
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