Chemical Characterization of the Traditional Chinese Medicine Zishui Qingxin Yin by Ultra‐High Performance Liquid Chromatography and Q Exactive Orbitrap Mass Spectrometers Combined With Molecular Networking and Quantitative Analysis of the Main Components by High‐Performance Liquid Chromatography With Diode Array Detection

ABSTRACT Atopic dermatitis is a recurrent, pruritic, localized eczema. Zishui Qingxin Yin (ZSQXY) is derived from two classic prescriptions, Daochi San and Bao He Wan, and has a significant antipruritic effect in clinical practice, but the pharmacodynamic material basis of its action is still unclear. In this study, ultra‐high performance liquid chromatography and Q Exactive Orbitrap mass spectrometers combined with Molecular Networking method was established to comprehensively analyze its chemical components. A total of 247 chemical compounds were identified, of which 12 were new compounds; the structural types included 89 flavonoids, 54 terpenoids, 56 alkaloids, 39 phenylpropanoids, and 18 other compounds, and the identified compounds were classified into different traditional Chinese medicines. At the same time, high‐performance liquid chromatography with diode array detection was used to determine the content of 14 compounds with higher contents in ZSQXY. This study provides a scientific basis for further studying the mechanism of action, metabolic characteristics, and subsequent development of ZSQXY.