Characterization of forsythoside A metabolites in rats by a combination of UHPLC-LTQ-Orbitrap mass spectrometer with multiple data processing techniques

2018 ◽  
Vol 32 (5) ◽  
pp. e4164 ◽  
Author(s):  
Fei Wang ◽  
Guang-shang Cao ◽  
Yun Li ◽  
Lu-lu Xu ◽  
Zhi-bin Wang ◽  
...  
Keyword(s):  
Data Processing ◽  
Mass Spectrometer ◽  
Multiple Data ◽  
Orbitrap Mass Spectrometer ◽  
Processing Techniques

Detection and characterization of cholesteryl ester hydroperoxides in oxidized LDL and oxidized HDL by use of an Orbitrap mass spectrometer

2012 ◽  
Vol 404 (1) ◽  
pp. 101-112 ◽  
Author(s):  
Shu-Ping Hui ◽  
Toshihiro Sakurai ◽  
Futaba Ohkawa ◽  
Hiroaki Furumaki ◽  
Shigeki Jin ◽  
...  
Keyword(s):  
Cholesteryl Ester ◽  
Mass Spectrometer ◽  
Oxidized Ldl ◽  
Oxidized Hdl ◽  
Orbitrap Mass Spectrometer

Characterization of hydrocoptisonine metabolites in human liver microsomes using a high-resolution quadrupole-orbitrap mass spectrometer

Xenobiotica ◽  
2020 ◽  
Vol 50 (12) ◽  
pp. 1423-1433
Author(s):  
Su Min Choi ◽  
Younah Kim ◽  
Jaeick Lee ◽  
Ju-Hyun Kim ◽  
Taeho Lee ◽  
...  
Keyword(s):  
High Resolution ◽  
Mass Spectrometer ◽  
Human Liver ◽  
Liver Microsomes ◽  
Human Liver Microsomes ◽  
Orbitrap Mass Spectrometer

Rapid Profiling and Identification of Vitexin Metabolites in Rat Urine, Plasma and Faeces after Oral Administration Using a UHPLC-Q-Exactive Orbitrap Mass Spectrometer Coupled With Multiple Data-mining Methods

2021 ◽  
Vol 21 ◽  
Author(s):  
Pingping Dong ◽  
Lei Shi ◽  
Shaoping Wang ◽  
Shan Jiang ◽  
Haoran Li ◽  
...  
Keyword(s):  
Data Mining ◽  
Oral Administration ◽  
Mass Spectrometer ◽  
Flavonoid Compound ◽  
Ring Cleavage ◽  
Rat Urine ◽  
Multiple Data ◽  
Orbitrap Mass Spectrometer ◽  
Q Exactive ◽  
Mining Methods

Background: Vitexin is a natural flavonoid compound with multiple pharmacological activities and is extracted from the leaves and seeds of Vitex negundo L. var. cannabifolia (Sieb. et Zucc.) Hand.-Mazz. However, the metabolite characterization of this component remains insufficient. Objective: To establish a rapid profiling and identification method for vitexin metabolites in rat urine, plasma and faeces after oral administration using a UHPLC-Q-Exactive orbitrap mass spectrometer coupled with multiple data-mining methods. Methods: In this study, a simple and rapid systematic strategy for the detection and identification of constituents was proposed based on UHPLC-Q-Exactive Orbitrap mass spectrometry in parallel reaction monitoring mode combining diagnostic fragment ion filtering techniques. Results: A total of 49 metabolites were fully or partially characterized based on their accurate mass, characteristic fragment ions, retention times, corresponding ClogP values, and so on. It is obvious that C-glycosyl flavonoids often display an [M+H-120]+ ion that represents the loss of C4H8O4. As a result, these metabolites were presumed to be generated through glucuronidation, sulfation, deglucosylation, dehydrogenation, methylation, hydrogenation, hydroxylation, ring cleavage and their composite reactions. Moreover, the characteristic fragmentation pathways of flavonoids, chalcones, and dihydrochalcones were summarized for the subsequent metabolite identification. Conclusion: The current study provided an overall metabolic profile of vitexin, which will be of great help in predicting the in vivo pharmacokinetic profiles and understanding the action mechanism of this active ingredient.

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