METABOLITE STRUCTURE ELUCIDATION USING NMR MICRO- NANO-DETECTION/

The structure of the epoxide of 1-ethyl-phenoxathiin 10,10-dioxide, a potential monoamine oxidase-A inhibitor, was elucidated using a combin ation of 500 MHz home- and heteronuclear NMR techniques. The proton re ference spectrum and a COSY spectrum were obtained on a 30 mu g sample (0.07 mu Moles) of the metabolite in 35 mu l of d(6)-DMSO using a Var ian homonuclear Nano-probe(TM). The C-13 reference spectrum was acquir ed on the same sample using a Varian heteronuclear Nano-probe(TM). An inverse-detected (HMQC) heteronuclear shift correlation spectrum was o btained on the 30 mu g sample of the metabolite in 120 mu l of d(6)-DM SO using a Nalorac Z.SPEC(TM) 3 mm micro inverse probe.