State Key Laboratory of Component-Based Chinese Medicine, Tianjin Key Laboratory of TCM Chemistry and Analysis, Tianjin University of Traditional Chinese Medicine, 10 Poyanghu Road, Jinghai, Tianjin 301617, China.
Shenzhen Baoan Authentic TCM Therapy Hospital, Shenzhen 518101, China.
Molecules. 2022 Jun 6;27(11):3647. doi: 10.3390/molecules27113647.
Wenxin granule (WXG) is a popular traditional Chinese medicine (TCM) preparation for the treatment of arrhythmia disease. Potent analytical technologies are needed to elucidate its chemical composition and assess the quality differences among multibatch samples. In this work, both a multicomponent characterization and quantitative assay of WXG were conducted using two liquid chromatography-mass spectrometry (LC-MS) approaches. An ultra-high performance liquid chromatography-ion mobility quadrupole time-of-flight mass spectrometry (UHPLC/IM-QTOF-MS) approach combined with intelligent peak annotation workflows was developed to characterize the multicomponents of WXG. A hybrid scan approach enabling alternative data-independent and data-dependent acquisitions was established. We characterized 205 components, including 92 ginsenosides, 53 steroidal saponins, 14 alkaloids, and 46 others. Moreover, an optimized scheduled multiple reaction monitoring (sMRM) method was elaborated, targeting 24 compounds of WXG via ultra-high performance liquid chromatography-triple quadrupole linear ion trap mass spectrometry (UHPLC/QTrap-MS), which was validated based on its selectivity, precision, stability, repeatability, linearity, sensitivity, recovery, and matrix effect. By applying this method to 27 batches of WXG samples, the content variations of multiple markers from Notoginseng Radix et Rhizoma (21) and Codonopsis Radix (3) were depicted. Conclusively, we achieved the comprehensive multicomponent characterization and holistic quality assessment of WXG by targeting the non-volatile components.
稳心颗粒（WXG）是一种常用于治疗心律失常疾病的中药方剂。为了阐明其化学成分并评估多批样品之间的质量差异，需要强有力的分析技术。在这项工作中，我们使用两种液相色谱-质谱（LC-MS）方法对 WXG 进行了多组分特征分析和定量测定。我们开发了一种超高效液相色谱-离子淌度四极杆飞行时间质谱（UHPLC/IM-QTOF-MS）方法，结合智能峰注释工作流程，用于表征 WXG 的多组分。建立了一种混合扫描方法，能够实现交替的数据非依赖性和数据依赖性采集。我们共鉴定出 205 个成分，包括 92 个人参皂苷、53 个甾体皂苷、14 个生物碱和 46 个其他成分。此外，我们还通过超高效液相色谱-三重四极杆线性离子阱质谱（UHPLC/QTrap-MS），针对 WXG 中的 24 种化合物，建立并优化了预定多重反应监测（sMRM）方法，该方法基于其选择性、精密度、稳定性、重复性、线性、灵敏度、回收率和基质效应进行了验证。通过将该方法应用于 27 批 WXG 样品，描绘了来自三七根（21）和党参（3）的多个标记物的含量变化。总之，我们通过靶向非挥发性成分实现了 WXG 的全面多组分特征分析和整体质量评估。
