目的 采用超高效液相色谱-四级杆飞行时间质谱（UPLC-Q-TOF/HRMS^E）对小陷胸汤的化学成分进行研究。方法 色谱柱使用Waters ACQUITY UPLC BEH C18色谱柱（2.1 mm×100 mm，1.8 μm），流动相使用0.1%甲酸水-0.1%甲酸乙腈进行梯度洗脱，柱温为35℃，体积流量为0.3 mL/min，采用电喷雾电离源ESI，在正、负离子模式下分别进行质谱检测分析。结果 根据化合物精确分子量及质谱裂解二级碎片离子，结合相关文献及UNIFI 1.8软件对小陷胸汤进UPLC-Q-TOF/HRMS^E分析，共鉴定得到99个化学成分，正离子模式下55种，负离子模式下44种，初步定性63个化学成分，分别为有机酸类23个，姜辣素类（含姜酮、姜二酮、姜油酮、姜酚、姜烯酚）共9个，黄酮类共8个，生物碱类6个，木脂素类共8个，氨基酸类3个，核苷类3个，其他类型3个。结论 该方法快速、准确、便捷，为小陷胸汤药效物质基础及代谢过程的深入研究奠定了基础，也为其进行质量控制提供了参考。

Objective To qualitatively analyze the chemical constituents of Xiaoxianxiong Decoction by Ultra Performance Liquid Chromatography-Quadrupole Time-Of-Flight Mass Spectrometry(UPLC-Q-TOF/HRMS^E). Method A Waters ACQUITY UPLC BEH C 18 column (2.1 mm×100 mm, 1.8 μm) was used to perform gradient elution with 0.1% Formic acid-water and 0.1% formic acid-acetonitrile as the mobile phase. Column temperature was 35℃ and the flow rate was 0.3 mL/min. ElectroSpray Ionization Source(ESI) was used to conduct mass spectrometry analysis in positive and negative ion modes. Results According to the precise molecular weight and secondary fragment ions of the compound, combined with the relevant literature and UNIFI 1.8 software, 99 chemical components were identified and 63 were preliminarily determined by UPLC-Q-TOF/HRMS^E analysis of Xiaoxianxiong Decoction. There were 23 Organic acids, 9 Gingerols(including Gingerone, Gingerdione, Zingerone, Gingerol, Shogaol), 8 Flavonoids, 6 Alkaloids, 8 Lignans, 3 Amino acids, 3 Nucleosides, and 3 other types. Conclusion This method is fast, accurate and convenient, which lays a foundation for in-depth study on the pharmacodynamic substance and metabolic process of Xiaoxianxiong Decoction, and provides a reference for its quality control.

R917

国家自然科学基金（8177141422）