Direct mass spectrometric determination of bead bound compounds in a combinatorial lead discovery application
✍ Scribed by Karl F. Blom; Andrew P. Combs; Arlene L. Rockwell; Kevin R. Oldenburg; Ji-Hu Zhang; Tongming Chen
- Publisher
- John Wiley and Sons
- Year
- 1998
- Tongue
- English
- Weight
- 189 KB
- Volume
- 12
- Category
- Article
- ISSN
- 0951-4198
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✦ Synopsis
A mass spectrometric strategy for the direct determination of the structures of compounds on active beads selected from combinatorial mixtures by ultrahigh throughput screening is presented. Complementary mass spectrometric data (exact mass and MS/MS spectra) were obtained in a single acquisition using automatic function switching. Analyses of these data produced unequivocal identifications of the structure in 70% of the cases. The automatic computer analyses generated definitve solutions in 80% of the analyses. The remainder of the beads contained mixtures of components or components not in the enumerated library (either by-products or degradants of expected components). In these cases the identity of the compounds were conclusively deduced from manual interpretation of the mass spectral data. The putative identities of all active compounds were confirmed by resynthesis and comparison of the mass spectrometric data for the putative and authentic structures.