Schmid D G, Grosche P, Jung G
Universität Tübingen, Institut für Organische Chemie, Auf der Morgenstelle 18, 72076 Tübingen, Germany.
Rapid Commun Mass Spectrom. 2001;15(5):341-7. doi: 10.1002/rcm.237.
A compound library consisting of 144 pyrazole carboxylic acids and six sublibraries consisting of 24 components was analysed using electrospray ionisation Fourier transform ion cyclotron resonance mass spectrometry (ESI-FTICR-MS). The library was synthesised by the split-mix method and investigated by direct infusion analysis by which 134 compounds were detected. FTICR-MS is predestined for the direct characterisation of complex compound libraries because of its outstanding mass resolution and mass accuracy. However, discrimination within the electrospray ionisation process sometimes leads to signal suppression and thus to misinterpretation of the synthetic results. Using micro-HPLC/MS we were able to assign all 144 compounds including all pairs of isobaric pyrazoles. We also show that, due to partial separation, FTICR-MS is indispensable for proper detection of co-eluting compounds.
使用电喷雾电离傅里叶变换离子回旋共振质谱（ESI-FTICR-MS）对一个由144种吡唑羧酸组成的化合物库以及六个由24种成分组成的子库进行了分析。该化合物库采用拆分混合法合成，并通过直接进样分析进行研究，共检测到134种化合物。由于其出色的质量分辨率和质量准确度，FTICR-MS注定要用于复杂化合物库的直接表征。然而，电喷雾电离过程中的歧视有时会导致信号抑制，从而导致对合成结果的错误解读。使用微HPLC/MS，我们能够鉴定出所有144种化合物，包括所有等压吡唑对。我们还表明，由于部分分离，FTICR-MS对于正确检测共洗脱化合物是必不可少的。
