目的:采用高分辨质谱及组学分析技术,从化学成分差异的角度对不同厂家藿香正气水的质量进行整体评价研究。方法:采用超高效液相色谱-四极杆飞行时间串联质谱(UPLC-Q TOF MS/MS),电喷雾离子化模式(正和负),采集9个厂家、54批次藿香正气水样品中MSE数据。色谱柱为Waters ACQUITY UPLCBEH C18 (100 mm×2.1 mm,1.7 μm),柱温40 ℃,流动相为0.1%甲酸水溶液(A)-乙腈(B),流速0.4 mL·min-1,进样体积1 μL;采集质量范围为m/z 50~1 200。运用组学分析软件对获得的大量数据进行处理,并使用主成分分析(PCA)方法,对不同厂家藿香正气水的质量进行了比较研究,对样品中部分具有显著性差异的成分进行了鉴定与归属,并采用HPLC法对样品中橙皮苷、芸香柚皮苷和甘草酸的含量进行了测定与比较。结果:PCA结果表明,不同厂家藿香正气水的质量差异显著,对样品中具有显著性差异的橙皮苷、芸香柚皮苷和甘草酸进行了鉴定和归属,9个厂家样品中的橙皮苷含量相当,厂家H、I样品中芸香柚皮苷和甘草酸含量远低于其余厂家。结论:本研究从化学物质差异的角度,应用UPLC-Q TOF MS/MS技术结合PCA方法成功将9个不同厂家藿香正气水的质量进行了区分,并采用HPLC方法对部分组学分析结果进行了验证,为该产品的质量控制及质量标准的完善提供了依据。该方法为以后开展多组分复杂体系中成药的质量评价提供了思路和方法。
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