Metabolism study of Myricetin in rat urine, plasma and feces using UHPLC‐Q‐Exactive Orbitrap Mass Spectrometer

2021 ◽  
Author(s):  
Huajian Li ◽  
Haoran Li ◽  
Shan Jiang ◽  
Jing Xu ◽  
Yifang Cui ◽  
...  
Keyword(s):  
Mass Spectrometer ◽  
Rat Urine ◽  
Orbitrap Mass Spectrometer ◽  
Q Exactive ◽  
Metabolism Study

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.

scholarly journals Exploring ECD on a Benchtop Q Exactive Orbitrap Mass Spectrometer

2017 ◽  
Vol 17 (2) ◽  
pp. 926-933 ◽  
Author(s):  
Kyle L. Fort ◽  
Christian N. Cramer ◽  
Valery G. Voinov ◽  
Yury V. Vasil’ev ◽  
Nathan I. Lopez ◽  
...  
Keyword(s):  
Mass Spectrometer ◽  
Orbitrap Mass Spectrometer ◽  
Q Exactive

Comprehensive and Rapid Identification of Astilbin Metabolites in Rats Based on Multiple Metabolite Templates Combined with UHPLC-Q-ExactiveMass Spectrometry

2021 ◽  
Vol 22 ◽  
Author(s):  
Shan Jiang ◽  
Haoran Li ◽  
Ailin Yang ◽  
Hongbing Zhang ◽  
Pingping Dong ◽  
...  
Keyword(s):  
Mass Spectrometer ◽  
Biological Effects ◽  
Rat Plasma ◽  
Rapid Identification ◽  
Negative Ion ◽  
Ring Cleavage ◽  
Rat Urine ◽  
Q Exactive ◽  
Negative Ion Mode

Background : Astilbin, a dihydroflavonoid compound widely found in plants, exhibits a variety of pharmacological activities and biological effects. However, little is known about the metabolism of this active compound in vivo, which is very helpful for elucidating the pharmacodynamic material basis and application of astilbin. Objective: To establish a rapid profiling and identification method for metabolites in rat urine, faeces and plasma using a UHPLC-Q-Exactive mass spectrometer in negative ion mode. Methods: In this study, a simple and rapid systematic strategy and 7 metabolite templates, which were established based on previous reports, were utilized to screen and identify astilbin metabolites. Results: As a result, a total of 72 metabolites were detected and characterized, among which 33 metabolites were found in rat urine, while 28 and 38 metabolites were characterized from rat plasma and faeces, respectively. These metabolites were presumed to be generated through ring cleavage, sulfation, dehydrogenation, methylation, hydroxylation, glucuronidation, dehydroxylation and their composite reactions. Conclusion: This study illustrated the capacity of the sensitive UHPLC-Q-Exactive mass spectrometer analytical system combined with the data-mining methods to rapidly elucidate the unknown metabolism. Moreover, the comprehensive metabolism study of astilbin provided an overall metabolic profile, which will be of great help in predicting the in vivo pharmacokinetic profiles and understanding the action mechanism of this active ingredient.

scholarly journals Mass Spectrometry-based Proteomics Using Q Exactive, a High-performance Benchtop Quadrupole Orbitrap Mass Spectrometer

2011 ◽  
Vol 10 (9) ◽  
pp. M111.011015 ◽  
Author(s):  
Annette Michalski ◽  
Eugen Damoc ◽  
Jan-Peter Hauschild ◽  
Oliver Lange ◽  
Andreas Wieghaus ◽  
...  
Keyword(s):  
Mass Spectrometry ◽  
Mass Spectrometer ◽  
High Performance ◽  
Orbitrap Mass Spectrometer ◽  
Q Exactive

scholarly journals Mixed mode monolithic sorbent in pipette tip for extraction of ractopamine and clenbuterol prior to analysis by HPLC-UV and UHPLC-Q ExactiveTM Plus Orbitrap MS

2021 ◽  
Vol 12 (1) ◽  
Author(s):  
Kesara Ar-sanork ◽  
Chanpen Karuwan ◽  
Nakin Surapanich ◽  
Prapin Wilairat ◽  
Duangjai Nacapricha ◽  
...  
Keyword(s):  
Mass Spectrometer ◽  
Mixed Mode ◽  
Extraction Process ◽  
Mass Spectrometry Data ◽  
Simple Method ◽  
Orbitrap Mass Spectrometer ◽  
Carboxylic Groups ◽  
Matrix Removal ◽  
Q Exactive ◽  
Pipette Tip

AbstractThis work developed a fast and simple method for the quantification of two important β-agonists, ractopamine (RAC) and clenbuterol (CLEN) in animal urines. The method was based on micro-extraction by a mixed mode monolithic material and analysis by HPLC-UV and UHPLC-Q ExactiveTM Plus Orbitrap mass spectrometer. A mixed functional monolith with nonpolar ester-based structure containing polar carboxylic groups was thermally synthesized in situ in the pipette tips. The material combines both hydrophobic and ionic interactions. Parameters including conditions and composition of reagents for the in-pipette tip monolith synthesis, as well as the extraction process, were investigated and optimized. The procedure for extraction is 800 μL washing solvent of 10:90 (v/v) ACN:water and 150 μL eluting solvent of 30:70 (v/v) ACN:200 mM acetate buffer pH 4.0. Extraction efficiencies of 92% and 100% for RAC and CLEN, respectively, were achieved within 5 min with total organic solvent consumption of 395 μL. The extracts of spiked cattle and swine urines were analyzed by HPLC-UV and UHPLC-Q ExactiveTM Plus Orbitrap mass spectrometer. Good recovery with acceptable precision was observed. The mass spectrometry data confirmed efficient matrix removal by the synthesized extraction sorbent allowing routine analysis by the HPLC-UV method.

Rapid profiling and identification of puerarin metabolites in rat urine and plasma after oral administration by UHPLC-LTQ-Orbitrap mass spectrometer

2017 ◽  
Vol 1068-1069 ◽  
pp. 180-192 ◽  
Author(s):  
Zhanpeng Shang ◽  
Qiqi Xin ◽  
Wenjing Zhao ◽  
Zhibin Wang ◽  
Qinqing Li ◽  
...  
Keyword(s):  
Oral Administration ◽  
Mass Spectrometer ◽  
Rat Urine ◽  
Orbitrap Mass Spectrometer

scholarly journals Identification of a fully dechlorinated product of chlordecone in soil microcosms and enrichment cultures

2021 ◽  
Author(s):  
Line Lomheim ◽  
Robert Flick ◽  
Suly Rambinaising ◽  
Sarra Gaspard ◽  
Elizabeth A. Edwards
Keyword(s):  
Mass Spectrometer ◽  
Electron Donor ◽  
Transformation Product ◽  
Soil Microcosms ◽  
Enrichment Cultures ◽  
Orbitrap Mass Spectrometer ◽  
Q Exactive ◽  
Complete Dechlorination

ABSTRACTAnaerobic microcosms constructed with soil from Guadeloupe, amended with electron donor (ethanol and acetone) and incubated for more than a decade, transformed chlordecone (CLD) into a suite of progressively more dechlorinated products, including a fully dechlorinated carboxylated indene product. This fully dechlorinated transformation product has never before been observed and indicates that complete dechlorination of CLD is possible. The carboxylated indene was detected by LC-MS and structure was confirmed by LC-MS/MS using a Q-Exactive Orbitrap mass spectrometer.

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