Abstract
Ilicis Rotundae Cortex (IRC) consists of the bark of Ilex rotunda Thunb, and its chemical constituents mainly include flavonoid glycosides, phenols, and triterpenoid saponins. In this study, a preliminary analysis was performed to identify and obtain the chemical components from IRC to better control the quality of the medicinal materials and provide a chemical basis for the study of the efficacy of the active components. Simple and efficient sample pretreatment and ultrasonic-assisted extraction methods were used to analyze the mass spectrum fragments and fracture modes in the anion mode by UPLC-Q-TOF-MS/MS. Using a two-step strategy, the neutral loss, diagnostic ions, and characteristic fragments were studied to screen diverse skeletons and substitutions, and the possible compounds were identified by comparison with databases. The representative compounds were compared with the standard, and the mass spectrogram was found to match perfectly. Thus, our findings reveal that this method is feasible and reliable and can be used to analyze the chemical components of IRC. We identified 105 compounds, including 22 triterpenoid saponins, 15 chlorogenic acids, 33 phenylpropanoids and phenylpropanosides, 3 iridoids, 1 flavonoid, 10 lignans, 12 glycosides, and 9 other compounds. This method lays the foundation for further elucidating the pharmacodynamics of IRC and provides a practical method for the identification of IRC.
Highlights
Ilicis Rotundae Cortex (IRC) is a special medicinal material used by the Yao nationality in China and has been included in the Chinese Pharmacopoeia 2020 Edition
It is well known that traditional Chinese medicine has a complicated chemical composition, which poses a challenge during analysis
We report a rapid yet effective UPLC-mass spectrometry (MS)/MS method, which combined a two-step data mining to screen and identify target compounds
Summary
Ilicis Rotundae Cortex (IRC) is a special medicinal material used by the Yao nationality in China and has been included in the Chinese Pharmacopoeia 2020 Edition. Modern pharmacological studies have shown that IRC extract has several effects such as reducing coronary artery flow, slowing heart rate, improving hypoxia tolerance, and antiarrhythmic effects. Notwithstanding that it is often used in the treatment of cardiovascular diseases in a clinical setting, the active components and mechanism of action of IRC remain unclear [1,2,3]. In the case of complex samples, characterization of active compounds is still a challenge owing to the large and complex MS data. Several techniques, such as neutral loss and diagnostic ion filtration, have been developed to eliminate or reduce interfering ions and to achieve the goal of high-speed identification and screening of active compounds
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