基于UPLC-Q-TOF-MS技术分析痤疮消洗液化学成分

目的 定性分析治疗痤疮的临床验方痤疮消洗液中的化学成分。方法 采用超高效液相色谱-四极杆飞行时间质谱（UPLC-Q-TOF-MS）技术，选用Acquity HSS T₃色谱柱（2.1 mm×100 mm，1.8 μm），0.1%甲酸乙腈和0.1%甲酸水为流动相进行梯度洗脱，流速为0.3 mL/min，质谱使用ESI离子源，正负离子模式扫描采集数据。通过精确质谱信息及元素组成分析，结合Scifinder数据库、对照品信息及相关文献，对痤疮消洗液中的化学成分进行推断和鉴定。结果 痤疮消洗液中鉴定出59个化合物，它们分别为蒽醌类、环烯醚萜类、有机酸类、黄酮类化合物。结论 UPLC-Q-TOF-MS技术可快速、灵敏地鉴定痤疮消洗液中的化学成分，为探讨药效物质基础及控制制剂质量提供了实验依据。 

Identification of Chemical Constituents in Cuochuangxiao Lotion by UPLC-Q-TOF-MS

OBJECTIVE To analyze and identify the chemical constituents of Cuochuangxiao lotion. METHODS The sample was separated on an Acquity HSS T₃ reverse phase column (2.1 mm×100 mm， 1.8 μm) with the gradient elution consisted of 0.1% formic acid in MeCN and 0.1% formic acid in water as mobile phases at a flow rate of 0.3 mL/min. The electrospray ionization (ESI) source in positive or negative ion mode was used for MRM mode. The chemical constituents in Cuochuangxiao lotion were inferred and identified by accurate mass data， the element compositions analysis， the database of Scifinder， standards and relevant literatures. RESULTS 59 compounds from the Cuochuangxiao lotion were identified， mainly including anthraquinones， iridoids， organic acids and flavonoids. CONCLUSION The method is rapid and sensitive for the chemical constituent identification， which can provide the reference for clarifying the material basis and evaluation of the quality of Cuochuangxiao lotion.