title: Liquid chromatography/quadrupole-time-of-flight mass spectrometry with metabolic profiling of human urine as a tool for environmental analysis of dextromethorphan.
abstract: We use the combination of liquid chromatography/quadrupole-time-of-flight mass spectrometry (LC/Q-TOF-MS) and urine metabolic profiling to find and identify the metabolites of dextromethorphan, a common over-the-counter (OTC) cough suppressant. Next, we use the combination of ion masses, their MS/MS fragmentation, and retention times to determine dextromethorphan and its metabolites in surface water impacted by wastewater. Prior to this study, neither dextromethorphan nor its metabolites have been reported in surface water; in spite of its common use in over 100 various OTC medications. We found that the concentration of the dextrorphan metabolite in surface water greatly exceeded the parent compound by factors of 5-10 times, which reflects the urine profile, where parent compound is approximately <2% of the total excreted drug based on ion intensities. Urine profiling also indicated that glucuronide metabolites are major phase 2 products (92% of the total) in urine and then are completely hydrolyzed in wastewater to dextrorphan and N-demethyldextrorphan, which are phase 1 metabolites-a "kind of reversal" of human metabolism.
authors.affiliation: Center for Environmental Mass Spectrometry, Department of Environmental Engineering, University of Colorado at Boulder, Boulder, CO 80309, USA. mthurman@ono.com
authors.forename: E Michael
authors.initials: EM
authors.lastname: Thurman
authors.forename: Imma
authors.initials: I
authors.lastname: Ferrer
mesh_terms: D002853:Chromatography, Liquid / Q000379:methods*; D003915:Dextromethorphan / Q000032:analysis / Q000737:chemistry / Q000652:urine*; D005260:Female; D006801:Humans; D008297:Male; D055442:Metabolome; D008958:Models, Molecular; D045483:Rivers / Q000737:chemistry; D053719:Tandem Mass Spectrometry / Q000379:methods*; D062065:Wastewater / Q000737:chemistry*; D014874:Water Pollutants, Chemical
chemical_list: D003915:Dextromethorphan; D062065:Wastewater; D014874:Water Pollutants, Chemical