Abstract Tanreqing injection is a Chinese medical formula used to treatment of respiratory diseases. In our study, we developed a feasible and accurate strategy applying an ultra-high-performance liquid chromatography coupled with Q Exactive™ Plus-Orbitrap Fusion mass spectrometers (UPLC-Q-Orbitrap Fusion MS/MS) to clarify and quantify the chemical profiling of Tanreqing injection rapidly. A total of 80 ingredients were identified by comparing the accurate mass, fragment ions, and cleavage pathways, including flavonoids, phenyl propionic acid, coumarins, amino acids, cholesterol, etc. And 18 characteristic components among them were definitely identified by comparison with reference substance. Meanwhile, the 18 representative constituents were simultaneously measured in eight batches Tanreqing injection utilizing UPLC-Q-Orbitrap Fusion MS/MS in negative ion mode. Among the 18 components, beta-d-glucopyranosiduronic acid, baicalin, ursodeoxycholic acid, and chenodeoxycholic acid were the predominant constituents. In principal components analysis results, five dominating components were extracted, and the variant contribution rates were ranked as: 37.86, 22.86, 16.42, 9.80, 7.32%, with the accumulated value 94.26%. 5-caffeoylquinic acid, isochlorogenic acid C, and baicalin possessed larger loads on the first factor. Our research carried out qualitative and quantitative analysis on Tanreqing injection, provided a certain reference for the research on pharmacodynamic material basis and the selection of quality markers. Graphical Abstract

中文翻译：

---

痰热清注射液的化学分析和定量，一种配备 UPLC-Q-Orbitrap 融合质谱的系统质量控制策略

摘要 痰热清注射液是治疗呼吸系统疾病的中药方剂。在我们的研究中，我们开发了一种可行且准确的策略，应用超高效液相色谱结合 Q Exactive™ Plus-Orbitrap Fusion 质谱仪 (UPLC-Q-Orbitrap Fusion MS/MS) 来澄清和量化痰热清注射迅速。通过精确质量数、碎片离子和裂解途径的比较，共鉴定出80种成分，包括黄酮类、苯丙酸、香豆素、氨基酸、胆固醇等，其中18种特征成分通过与对照品比较确定. 同时，使用 UPLC-Q-Orbitrap Fusion MS/MS 在负离子模式下同时测量 8 批痰热清进样中的 18 种代表性成分。在18种成分中，β-d-吡喃葡萄糖苷糖醛酸、黄芩苷、熊去氧胆酸和鹅去氧胆酸是主要成分。在主成分分析结果中提取了5个主导成分，变量贡献率排序为：37.86、22.86、16.42、9.80、7.32%，累计值94.26%。5-咖啡酰奎宁酸、异绿原酸C和黄芩苷对第一因子的负荷较大。本研究对痰热清注射液进行了定性和定量分析，为药效物质基础研究和质量标志物的选择提供了一定的参考。图形概要 鹅去氧胆酸是主要成分。在主成分分析结果中提取了5个主导成分，变量贡献率排序为：37.86、22.86、16.42、9.80、7.32%，累计值94.26%。5-咖啡酰奎宁酸、异绿原酸C和黄芩苷对第一因子的负荷较大。本研究对痰热清注射液进行了定性和定量分析，为药效物质基础研究和质量标志物的选择提供了一定的参考。图形概要 鹅去氧胆酸是主要成分。在主成分分析结果中提取了5个主导成分，变量贡献率排序为：37.86、22.86、16.42、9.80、7.32%，累计值94.26%。5-咖啡酰奎宁酸、异绿原酸C和黄芩苷对第一因子的负荷较大。本研究对痰热清注射液进行了定性和定量分析，为药效物质基础研究和质量标志物的选择提供了一定的参考。图形概要 黄芩苷在第一因子上具有更大的负荷。本研究对痰热清注射液进行了定性和定量分析，为药效物质基础研究和质量标志物的选择提供了一定的参考。图形概要 黄芩苷在第一因子上具有更大的负荷。本研究对痰热清注射液进行了定性和定量分析，为药效物质基础研究和质量标志物的选择提供了一定的参考。图形概要