【摘要】 目的 利用超高效液相色谱-四极杆-静电场轨道阱高分辨质谱法（UPLC-QE-Orbitrap-MS）分析鉴定温胆汤灌胃给药后的入血成分。方法 采用ACQUITY UPLC HSS T3色谱柱（2.1 mm×100 mm, 1.8μm）,以0.1%甲酸乙腈溶液（A）-0.1%甲酸水溶液（B）为流动相进行梯度洗脱（0～10 min, 100%B;10～45 min, 100%～0%B;45～60 min, 0%B;60.1～70 min, 100%B）。流速0.2 mL·min^-1,进样量5μL。质谱分析采用电喷雾离子源（ESI）,在正、负离子模式下采集数据，扫描范围m/z 100～1000。采用Compound Discoverer 3.0软件获取特征碎片离子信息，并结合数据库（mzCloud, mzVault,中药成分高分辨质谱数据库OTCML）,根据对照品信息和相关文献对比后确定入血成分。结果 综合质谱检测信息，共鉴定出100种化学成分，包括72种原型成分和28种代谢成分，其主要代谢途径分别为羟基化、还原反应、甲基化、葡萄糖醛酸化等。结论 温胆汤化学成分丰富且来源于多种药材，入血成分复杂，该研究成功建立了采用UPLC-QE-Orbitrap-MS技术对温胆汤入血成分和药材成分分析鉴定，为阐明温胆汤的药效物质基础和质量控制奠定基础。更多还原

【Abstract】 Objective Ultra high performance liquid chromatography-quadrupole-Orbitrap mass spectrometry（UPLC-QE-Orbitrap-MS） was used to analyze and identify the plasma components of Wendan Decoction after oral administration. Methods The chromatographic separation was performed on ACQUITY UPLC HSS T3 column（2.1 mm×100 mm, 1.8 μm） with the mobile phase of 0.1% formic acid acetonitrile solution（A）-0.1% formic acid aqueous solution（B） for gradient elution（0～10 min, 100 % B; 10～45 min, 100 %-0 %B; 45～60 min, 0 % B; 60.1～70 min, 100% B）, the flow rate was 0.2 mL·min^-1, the injection volume was 5 μL. Mass spectrometry data were collected in positive and negative ion modes, the scanning range was m/z 100～1 000 and electrospray ionization（ESI） was employed. The characteristic fragment ion information was obtained by Compound Discoverer 3.0 software, and combined with the database（mzCloud, mzVault, high-resolution mass spectrometry database of traditional Chinese medicine components OTCML）. The chemical components were analyzed and identified according to the reference substance information and related literature. Results Based on the information of mass spectrometry, a total of 100 chemical components were identified, including 72 prototype components and 28 metabolic components. The main metabolic pathways were hydroxylation, reduction reaction, methylation and glucoaldehyde acidification, respectively. Conclusion Wendan Decoction was rich in chemical components and the plasma components are complex. In this paper, UPLC-QE-Orbitrap-MS technology was successfully established to analyze and identify the plasma components and chemical constituents of Wendan Decoction, which laid a foundation for elucidating the pharmacodynamic material basis and quality control of Wendan Decoction.更多还原