Systematic Qualitative and Quantitative Analyses of Wenxin Granule via Ultra-High Performance Liquid Chromatography Coupled with Ion Mobility Quadrupole Time-of-Flight Mass Spectrometry and Triple Quadrupole–Linear Ion Trap Mass Spectrometry

Abstract

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.

Combining multiple acquisition modes and computational data annotation for structural characterization in traditional Chinese medicine: Miao Nationality medicine Qijiao Shengbai Capsule as a case study

“…They had showed a wealth of precursor ions and product ions in positive ion mode. Neutral loss of Rha (146 Da), Glc (162 Da) and glucuronic acid (GluA, 176 Da) attributed to one or more glycoside bones at the C-3 positions, 25 as well as the RDA cleavage at C-ring, 25,26 were two key fragmentation pathways for those saponins in QSC. Peak 110 was induced as an example for elucidating the structural characterization and fragmentation behavior of saponins.…”

The recent advance and prospect of natural source compounds for the treatment of heart failure

“…Wenxin granule can increase ejection fraction and cardiac index, decrease the levels of BNP and Ang-II, therefore improving the left ventricular systolic function in HF patients. In addition, Wenxin granule can inhibit TGF-β/Smads signaling pathway, delay the development of myocardial fibrosis, and improve the prognosis of patients with paroxysmal atrial fibrillation [ 227 ]. Wenxin granule can act on potassium, sodium and calcium plasma channels to alleviate myocardial ischemia and hypoxia through producing postrepolarization refractoriness, prolonging the effective refractory period and shortening action potential duration.…”