The use of low‐energy collisionally activated dissociation negative‐ion tandem mass spectrometry for the characterization of dog and human urinary metabolites of the drug BW 1370U87

Abstract

Liquid chromatography (LC) combined with atmospheric pressure chemical ionization mass spectrometry was used to identify phase I and II metabolites of the drug BW 1370U87 in dog and human urine. Additional analysis of individual high‐performance liquid chromatograph fractions collected from dog urine by combined gas chromatography/mass spectrometry identified one metabolite which was not detected by LC/MS methods. Using negative‐ion LC/MS, the majority of BW 1370U87 metabolites in human urine were identified as glucuronic acid conjugates of phase I oxidative metabolites. The negative‐ion fragmentation produced by low‐energy collisionally activated decomposition (CAD), studied by tandem mass spectrometry experiments, confirmed that these compounds were drug‐related and allowed metabolite structures to be assigned. Product‐ion spectra of the metabolites were dominated by the loss of neutral molecules from even‐electron deprotonated [M − H]⁻ ions.