Targeted borate complex formation as followed with electrospray ionization Fourier transform ion cyclotron mass spectrometry: monomolecular model system and polyborate formation |
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Authors: | Gaspar Andras Harir Mourad Lucio Marianna Hertkorn Norbert Schmitt-Kopplin Philippe |
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Affiliation: | Helmholtz Zentrum München, German Research Center for Environmental Health (GmbH), Institute of Ecological Chemistry, Ingolstaedter Landstrasse 1, 85764 Neuherberg, Germany. |
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Abstract: | Fourier transform ion cyclotron resonance mass spectrometry (FTICR-MS) was applied to identify boric acid(B degrees)/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 degrees , BL- and BL2- 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. |
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