目的 采用拟靶标代谢组学的研究方法揭示不同煎煮时间和不同煎煮温度对大黄煎出的蒽醌类、蒽酮类及鞣质类等化学成分的影响，为大黄临床用药提供依据。方法 利用线性离子阱-静电场轨道阱质谱（LTQ-Orbitrap MSⁿ）准确挖掘大黄各类化学成分的特征离子，通过特征离子确定尽量多的化学成分离子对，利用三重四级杆-质谱（QQQ-MS）的多反应监测（MRM）模式获取各种成分的峰面积，采用多元统计分析结合配对t检验比较不同煎煮方式对大黄煎出化学成分的影响。结果 煎煮时间和煎煮温度对大黄煎出化学成分均有影响，短时间煎煮（15 min）有利于双蒽酮苷类和蒽醌苷类成分煎出，长时间煎煮（60 min）则利于鞣质类成分煎出；与沸水浸泡相比，沸水煎煮有利于蒽醌类、鞣质类成分煎出。结论 采用拟靶标代谢组学的方法，明确指出了短时间煎煮或浸泡利于大黄泻下功效的发挥，长时间沸水煎煮利于清热解毒功效的发挥，为大黄的临床应用提供了参考。

Objective The effects of different decoction time and different decoction temperature on its chemical constituents of anthraquinones, anthrone, and tannins were revealed by pseudo-targeted metabolomics, which provided the basis for clinical use of rhubarb. Methods Using LTQ-Orbitrap-MSⁿ to accurately excavate the characteristic ions of various chemical components of rhubarb, the ion pairs of chemical components were determined as much as possible by characteristic ions to obtain the peak area of various components by using the MRM mode of QQQ-MS. The effects of different decoction methods on the chemical components of rhubarb was compared by multivariate statistical analysis combined with paired t test. Results Both decoction time and decoction temperature have impacts on the chemical components of rhubarb decoction. Short-term decocting for 15 min was beneficial to the dissolution of dianthrone glycosides and anthraquinone glycosides, while long-term decocting for 60 min was beneficial to the dissolution of tannins; Compared with boiling water maceration, boiling water decoction was more favorable for the dissolution of anthraquinones and tannins. Conclusion This paper adopts the method of pseudo-targeted metabolomics, and clearly points out that short-term decocting or maceration is conducive to exerting the laxative effect of rhubarb, and long-time boiling decocting is conducive to exerting clearing heat and detoxifying efficacy, which provides a reference for the clinical application of rhubarb.

国家自然科学基金资助项目（81673562）；国家自然科学基金资助项目（81973467）；北京中医药大学2020年度基本科研业务费重点攻关项目（2020-JYB-ZDGG-033）