Identification of Metabolites of Aurantio-Obtusin in Rats Using Ultra-High-Performance Liquid Chromatography-Q-Exactive Orbitrap Mass Spectrometry with Parallel Reaction Monitoring

Abstract

Aurantio-obtusin (AO) is a major anthraquinone compound isolated from Cassiae Semen or Duhaldea nervosa, which possesses diverse pharmacological effects. Previous studies have shown that it has a good effect on lowering blood lipids and treating various diseases. A few studies have also reported about its metabolites. A rapid and reliable method using ultra-high-performance liquid chromatography-Q-Exactive Orbitrap mass spectrometry and multiple data-processing technologies was established to investigate the metabolites of AO in the plasma and various tissues of rats, including the heart, liver, spleen, lung, kidneys, and brain. Finally, a total of 36 metabolites were identified in the plasma of rats, which could be very beneficial for understanding the effective form of AO metabolites leading to new drug discovery. The result demonstrated that this strategy, especially parallel reaction monitoring, has shown a wide range of applications in the identification of metabolites.

Comprehensive analysis of dihydromyricetin metabolites in rats using ultra‐high‐performance liquid chromatography coupled with high‐resolution mass spectrometry

“…In order to obtain as many ESI-MS 2 fragment ions of DMY metabolites as possible, the peaks detected with intensity over 40 000 for positive ion mode and 10 000 for negative ion mode were selected for identification. Chemical formulas attributed to the selected peaks were calculated using a formula predictor by setting the parameters as follows: C , H , O [2][3][4][5][6][7][8][9][10][11][12][13][14][15][16][17][18][19][20], S [0-2], and ring double bond equivalent value [3][4][5][6][7][8][9][10][11][12][13][14][15][16][17][18][19][20]. Other elements such as P and Br were not considered because they were rarely present in the complex matrix.…”

“…It could provide drug metabolism rules for drug structure modification, and important practical significance for discovering novel drugs with curative effects and lower side effects. Compared with the prototype drugs, some metabolites may become inactive or toxic, while pharmacological inactive substances could be transformed into active metabolites [19]. They are usually metabolized into various forms via different metabolic pathways.…”

Comprehensive characterization of multiple components ofZiziphus jujuba MillusingUHPLC‐Q‐ExactiveOrbitrap Mass Spectrometers

“…In recent years, liquid chromatography mass spectrometry (LC–MS) is increasingly being used to identify the chemical components and metabolites of various plant medicines (Qin et al, 2021 ; Xiong et al, 2021 ). It shows a wide range of analysis and strong separation ability and yields reliable qualitative analysis results (Liang et al, 2022 ).…”

“…It shows a wide range of analysis and strong separation ability and yields reliable qualitative analysis results (Liang et al, 2022 ). In this study, the UHPLC‐Q‐Exactive Orbitrap MS combined with PRM was adopted to characterize the compounds in Z. jujuba (Gong et al, 2020 ; Qin et al, 2021 ). Finally, 295 compounds were identified in Z. jujuba .…”

Qualitative Analysis of Multiple Phytochemical Compounds in Tojapride Based on UHPLC Q-Exactive Orbitrap Mass Spectrometry

“…TCMP has attracted considerable attention in great many fields due to its effective therapeutic performance and low toxicity [ 3 , 4 ]. With the development of analytical techniques, the combination of ultra-high-performance liquid chromatography and mass spectrometry (UHPLC/MS) has had a significant impact on TCMP development in recent years [ 5 , 6 ]. They feature powerful analytical figures of merit (sensitivity, selectivity, speed of analysis) and have a wide scope of application in the qualitative and quantitative analysis of the TCMP [ 7 ].…”