Discovery and Characterization of Phenolic Compounds in Bearberry () Leaves Using Liquid Chromatography-Ion Mobility-High-Resolution Mass Spectrometry.

The characterization and quantification of phenolic compounds in bearberry leaves were performed using hyphenated ion mobility spectroscopy (IMS) and a quadrupole time-of-flight mass spectrometer. A higher identification confidence level was obtained by comparing the measured collision cross section (CCS) with predicted values using a machine learning algorithm. A total of 88 compounds were identified, including 14 arbutin derivatives, 33 hydrolyzable tannins, 6 flavanols, 26 flavonols, 9 saccharide derivatives, and glycosidic compounds. Those most reliably reproduced in all samples were quantified against respective standards. Arbutin (47-107 mg/g), 1,2,3,4,6-pentagalloylglucose (6.6-12.9 mg/g), and quercetin 3-galactoside/quercetin 3-glucoside (2.7-5.7 mg/g) were the most abundant phenolic components in the leaves. Quinic acid and ellagic acid were also detected at relatively high concentrations. The antioxidant activity of the most abundant compounds was evaluated. A critical view of the advantages and limitations of traveling wave IMS and CCS for the discovery of natural products is given.