Rapid Classification and Identification of Chemical Constituents of Chelidonium majus L. Based on UHPLC‐Q‐Exactive Orbitrap MS

ABSTRACT Chelidonium majus L. ( C. majus ) is a prominent representative of traditional Chinese medicine with high‐performance clinical efficacy, including cough suppression, asthma relief, central analgesia, and anti‐tumor. It is also a typical dual‐purpose herb with both medicinal and toxic properties. However, the incomplete understanding of the chemical constituents of C. majus limits the investigation of its potency or toxic substance basis. In this work, we employed a comprehensive analytical approach utilizing ultra‐high‐performance liquid chromatography‐Quadrupole‐electrostatic field Orbitrap mass spectrometry combined with data processing techniques to rapidly classify and identify the chemical constituents of C. majus . A total of 56 compounds were classified and structurally annotated, including 40 alkaloids, four flavonoids, four organic acids, and eight other compounds. Among them, four compounds were newly reported as the potential constituents. We also summarized the fragmentation pathways of representative chemical constituents in C. majus . Taken together, our findings provide critical advancements in comprehending the chemical complexity of C. majus and underscore the importance of rapid analysis and accurate identification of chemical components to achieve safer, more effective use of C. majus in contemporary clinical practice.