Metabolites of 5F-UR-144 in Rabbits by Liquid Chromatography-High Resolution Mass Spectrometry
Since the mid-2000s synthetic cannabinoids have been abused as recreational drugs,prompting scheduling of these substances in many countries.To circumvent legislation,manufacturers have constantly marketed new compounds,5F-UR-144 is one of the most recently and widely abused drugs.In order to combat drug abuse better,the metabolites of 5F-UR-144 in rabbit urine were analyzed to explore its metabolic mode and pathway.Rabbits were divided into experimental group and blank group,and rabbits in the experimental group were injected with 5F-UR-144 ethanol solution,while blank ethanol solution was injected into the blank group.Acetonitrile was added to the urine of rabbits for the precipitation of protein,and the extract was detected by liquid chromatography-high resolution mass spectrometry.It was predicted of 5F-UR-144 metabolites by the metabolic software Bio Transformation Mass Defects and the possible metabolite data was compiled into a database for screening analysis.Suspected 5F-UR-144 metabolites were analyzed by secondary mass spectrometry.Based on the mass spectral fragment information measured by liquid chromatography-high resolution mass spectrometry,the molecular formula and chemical structure of unknown metabolites were analyzed using analytical software.After instrumental testing and data analysis of metabolites in rabbit urine,it was found that 5F-UR-144 produced 11 metabolites resulting from hydroxylation,carboxylation,and further glucuronidation of some oxidative metabolites.5F-UR-144 also was defluorinated,forming UR-144 metabolites.By analyzing these 11 metabolites,metabolic pathways were inferred.The formula of the intact molecule was accurately determined,and accurate mass measurements aided in assigning correct fragment structures.Structure elucidation was easier and faster than conventional MS requiring multiple injections for precursor ion,neutral loss,and product ion scans.And these are very important data on 5F-UR-144 metabolites which give clinical and forensic toxicologists a basis for developing analytical methods,identifying 5F-UR-144 exposure,and interpreting urine results.This approach provides a powerful tool for rapid identification of metabolites of unknown synthetic cannabinoids.It also had provided a reference for developing withdrawal drugs for synthetic cannabinoid addiction.
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