8 research outputs found
Correlation between experimental log k<sub>w</sub> values and those predicted by the developed model.
<p>Correlation between experimental log k<sub>w</sub> values and those predicted by the developed model.</p
Summary of retention data obtained for 15 studied compounds and their isomers.
<p>Summary of retention data obtained for 15 studied compounds and their isomers.</p
MS/MS fragmentation spectrum of protonated compound 14 (m/z 471, A) and metabolite M1 (m/z 587, B) along with proposed structures of formed fragment ions.
<p>MS/MS fragmentation spectrum of protonated compound 14 (m/z 471, A) and metabolite M1 (m/z 587, B) along with proposed structures of formed fragment ions.</p
Common ions present in MS/MS fragmentation spectra of compound 14 and its three main biotransformation products.
<p>M1 – hydroxylated metabolite, M2 – debrominated metabolite, M3 – metabolite both hydroxylated and debromianted.</p
3-dimentional structures of compound 1 isomers obtained after optimization in the HyperChem software.
<p>3-dimentional structures of compound 1 isomers obtained after optimization in the HyperChem software.</p
Chemical structures of the 15 studied compounds.
<p>Chemical structures of the 15 studied compounds.</p
Proposed MS/MS fragmentation pathway of compound 14.
<p>Proposed MS/MS fragmentation pathway of compound 14.</p