Structural elucidation of phase I and II metabolites of bupivacaine in horse urine and fungi of the Cunninghamella species using liquid chromatography/multi-stage mass spectrometry

2012 ◽  
Vol 26 (11) ◽  
pp. 1338-1346 ◽  
Author(s):  
Axel Rydevik ◽  
Ulf Bondesson ◽  
Mikael Hedeland
Keyword(s):  
Mass Spectrometry ◽  
Liquid Chromatography ◽  
Phase I ◽  
Structural Elucidation ◽  
Multi Stage ◽  
Phase I And Ii

scholarly journals Metabolic Profile of Four Selected Cathinones in Microsome Incubations: Identification of Phase I and II Metabolites by Liquid Chromatography High Resolution Mass Spectrometry

2021 ◽  
Vol 8 ◽  
Author(s):  
Beatriz T. Lopes ◽  
Maria João Caldeira ◽  
Helena Gaspar ◽  
Alexandra M. M. Antunes
Keyword(s):  
Mass Spectrometry ◽  
Liquid Chromatography ◽  
High Resolution ◽  
Phase I ◽  
Metabolic Profile ◽  
High Resolution Mass Spectrometry ◽  
Synthetic Cathinones ◽  
High Resolution Mass ◽  
Resolution Mass ◽  
Phase I And Ii

Consumption of synthetic cathinones, the second largest class of new psychoactive substances (NPS) reported worldwide, represents a serious public health risk. One of the biggest challenges created by the rapid spread of NPS on the illegal drug market is the discovery of selective biomarkers for their detection in biological matrices, which is only possible through the study of their metabolic profile. The synthetic cathinones 4′-methyl-N,N-dimethylcathinone (4-MDMC), 4′-methyl-N,N-diethylcathinone (4-MDEC), 4′-chloro-α-pyrrolidinovalerophenone (4Cl-PVP), and 4′-chloroethylcathinone (4-CEC) are NPS recently seized in Europe, and, with the exception of 4-CEC, no metabolism study was reported for these cathinones. With the ultimate goal of overcoming this gap, these cathinones were incubated in vitro in human and rat liver microsomes in the presence of Phase I and II (glucuronidation) co-factors, using α-pyrrolidinovalerophenone (α-PVP) as positive control. The metabolite identification was performed by liquid chromatography coupled to tandem high resolution mass spectrometry (LC-HRMS/MS). This allowed the identification of multiple Phase I and glucuronide metabolites of the selected cathinones. Additionally, a new glucuronide conjugate, derived from the recreational drug α-PVP, was herein identified for the first time. Importantly, we have demonstrated that 4-MDMC and 4-MDEC can act as prodrugs of the controlled substances 4-MMC and 4-MEC, respectively. The metabolites herein identified are expected to play an important role not only by acting as potential selective biomarkers of the intake of the synthetic cathinones selected for this study but also to understand their potential adverse effects and link these causative agents to toxicities, thereby helping in the treatment of non-fatal intoxications.

Detection, Identification and Structural Elucidation of Flavonoids using Liquid Chromatography Coupled to Mass Spectrometry

2020 ◽  
Vol 24 (1) ◽  
pp. 104-112 ◽  
Author(s):  
Krzysztof Kamil Wojtanowski ◽  
Tomasz Mroczek
Keyword(s):  
Mass Spectrometry ◽  
Central Nervous System ◽  
Nuclear Magnetic Resonance ◽  
Liquid Chromatography ◽  
High Performance ◽  
Short Review ◽  
Structural Elucidation ◽  
High Throughput Analysis ◽  
Protective Actions ◽  
The Central Nervous System

Flavonoids are one of the most common secondary metabolites occurring in plants. Their activity in the Central Nervous System (CNS) including sedative, anxiolytic, anti-convulsive, anti-depressant and neuro-protective actions is well known and documented. The most popular methods for detection, identification and structural elucidation of flavonoids are these based on Nuclear Magnetic Resonance (NMR) and mass spectrometry (MS). NMR allows rapid, high throughput analysis of crude extracts and also gives stereochemical details about identified substances. However, these methods are expensive and less sensitive than MS-based techniques. Combining High Performance Liquid Chromatography (HPLC) with MS detection gives the most powerful tool for analysis of flavonoids occurring in plants. There is a lot of different approaches to use LC/MS based techniques for identification of flavonoids and this short review shows the most important.

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