Published:Journal of Chromatographic Science,
ISSN 0021-9665Volume
39, Number 12, December 2001, pp. 513-520
Chromatographic Analysis of Compounds of Pharmaceutical Interest
Ming-Shang Kuo, F. Barclay
Shilliday, and David A. Yurek
Discovery Technologies, Pharmacia, Kalamazoo, MI 49007
A set of 17,600 samples belonging to our compound collection
is selectively examined by liquid chromatography with UV, evaporative light
scattering, and mass spectrometric detection methods. At least 70% of this set
consists of pure samples with the expected structures. Subsequent studies by
flow injection mass spectrometry show that this value is a conservative estimate
and that the actual percentage of pure and correct compounds is close to 80%.
Because this is the first time that sample quality information becomes available
on such a large scale for the compound collection, it offers an opportunity
to perform chemi-informatic studies for which structural integrity is essential.
Results of these studies can be used to improve the selection of compounds for
screening and evaluate the quality of compounds from particular sources.
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