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High‐resolution analysis of a 144‐membered pyrazole library from combinatorial solid phase synthesis by using electrospray ionisation Fourier transform ion cyclotron resonance mass spectrometry
Author(s) -
Schmid Dietmar G.,
Grosche Philipp,
Jung Günther
Publication year - 2001
Publication title -
rapid communications in mass spectrometry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.528
H-Index - 136
eISSN - 1097-0231
pISSN - 0951-4198
DOI - 10.1002/rcm.237
Subject(s) - fourier transform ion cyclotron resonance , chemistry , mass spectrometry , electrospray , electrospray ionization , analytical chemistry (journal) , resolution (logic) , ion cyclotron resonance , top down proteomics , tandem mass spectrometry , fourier transform , chromatography , protein mass spectrometry , ion , cyclotron , organic chemistry , mathematical analysis , mathematics , artificial intelligence , computer science
Abstract 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. Copyright © 2001 John Wiley & Sons, Ltd.