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Targeted borate complex formation as followed with electrospray ionization Fourier transform ion cyclotron mass spectrometry: monomolecular model system and polyborate formation
Author(s) -
Gaspar Andras,
Harir Mourad,
Lucio Marianna,
Hertkorn Norbert,
SchmittKopplin Philippe
Publication year - 2008
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.3713
Subject(s) - chemistry , fourier transform ion cyclotron resonance , boric acid , electrospray ionization , boron , mass spectrometry , aqueous solution , caffeic acid , analytical chemistry (journal) , ion cyclotron resonance , inorganic chemistry , ion , chromatography , cyclotron , organic chemistry , antioxidant
Fourier transform ion cyclotron resonance mass spectrometry (FTICR‐MS) was applied to identify boric acid(B°)/borate(B − ) complexes in a monomolecular model system, composed of aqueous caffeic acid and boric acid/borate solutions in various concentration ratios at pH 9.2. Using negative mode electrospray ionization as a ‘soft’ ionization technique, clusters of polyborate were detected beside the well‐known BL°, BL − and BL 2 −complexes. An algorithm for the detection of boron complexes, based on their accurate mass and isotope patterns, is proposed which enabled the assignment of elemental compositions/structural formulae of boron/ligand complexes. We present experimental evidence of self‐oligomerization of up to six borate units with caffeic acid, resulting in stable covalently bound polyborate‐polyol complexes. Copyright © 2008 John Wiley & Sons, Ltd.