Wj. Haap et al., COMPOSITION AND PURITY OF COMBINATORIAL ARYL ETHER COLLECTIONS ANALYZED BY ELECTROSPRAY MASS-SPECTROMETRY, Molecular diversity, 3(1), 1997, pp. 29-41
Electrospray mass spectrometry (ESI-MS), tandem mass spectrometry and
on-line RP-HPLC-ESI-MS were used to evaluate the composition and purit
y of three different aryl ether mixtures consisting of 10 and 45 aryl
ethers synthesized on solid support by Williamson etherification. The
libraries feature two potential pharmacophores connected with three di
fferent spacers and serve as models for a detailed component analysis.
Individual members of the library and by-products were identified rap
idly and conveniently by product ion scans. Compound collections obtai
ned by two different synthetic methods, the split/combine approach and
the premix method, showed different mass distributions in the ESI-MS
spectra. Some components were not detected in direct ESI-MS measuremen
ts, but were found by MS/MS experiments. Precursor ion and constant ne
utral loss scans allowed the identification of components with common
structural features.