Rapid Characterization of Chemical Constituents in Bamboo Juice Oral Liquid by UHPLC‐Q‐Exactive Orbitrap MS Combined With Molecular Networking

ABSTRACT Bamboo juice is a traditional Chinese herbal medicine and drink, and bamboo juice oral liquid (BJOL) is widely marketed in China for clearing away heat, resolving phlegm, and relieving cough. However, the chemical composition has not been fully characterized. This study employed UHPLC‐Q‐Exactive Orbitrap MS combined with molecular networking to comprehensively characterize the chemical constituents of BJOL. Mass spectrometric data were acquired in both positive and negative ion modes, and the raw data were uploaded to Global Natural Products Social Molecular Networking to construct molecular networking based on the similarity of MS 2 fragmentation patterns. Compound identification was further achieved by comparison with reference standards, database searching, literature verification, and analysis of fragmentation pathways. A total of 121 compounds were identified, including 48 phenylpropanoids, 12 flavonoids, 28 organic acids, 9 amino acids and nucleosides, and 24 other constituents. Among them, 44 compounds were reported in BJOL for the first time. Thus, the UHPLC‐Q‐Exactive Orbitrap MS strategy established in this study can be applied to the chemical characterization of BJOL, and also provides a reference for investigating its pharmacodynamic components and analyzing constituents of other traditional Chinese medicine preparations.