BUSPIRONE METABOLITE STRUCTURE PROFILE USING A STANDARD LIQUID-CHROMATOGRAPHIC MASS-SPECTROMETRIC PROTOCOL

A rapid and systematic LC-MS protocol is utilized to profile buspirone metabolites. Analysis of rat bile, urine and liver S9 samples using a standard LC-MS method provides structural information for 25 metaboli tes. The resulting buspirone metabolite structure database contains ch aracteristic retention time, molecular mass and MS-MS product ion info rmation for each compound. Metabolites are categorized according to pr ofile groups, which illustrate that substitution reactions are primari ly associated with the azaspirone decane dione and pyrimidine substruc tures. Structures of new buspirone metabolites are reported and includ e the despyrimidinyl, despyrimidinylpiperazine, glucuronide, hydroxygl ucuronide (four isomers), methoxyglucuronide and hydroxymethoxyglucuro nide (two isomers) buspirone metabolites. (C) 1997 Elsevier Science B. V.