title: Targeted and non-targeted boron complex formation followed by electrospray Fourier transform ion cyclotron mass spectrometry: a novel approach for identifying boron esters with natural organic matter.
abstract: The formation of boron esters was investigated in peat-soluble humified materials with a detailed molecular-level description of boron-organic interactions. Thousands of individually baseline separated signals were obtained from the analysis of natural organic matter of peat samples, using Fourier transform ion cyclotron resonance mass spectrometry. This technique offers unsurpassed isotope-specific mass resolution that can lead to precise molecular formula assignments by means of mathematical data analysis and visualisation techniques, such as mass defect (Kendrick) or elemental ratio (van Krevelen) plots. The analysis of potential boron binding structures within the sample of natural organic matter was described based on prior results. Herein, we describe an algorithm that can be used to effectively distinguish and filter complexes through data obtained from boron-enriched systems with highly intricate mass spectra, such as natural organic matter.
authors: HelmholtzZentrum München, National Research Center for Environmental Health, Institute of Ecological Chemistry, Ingolstädter Landstraße 1, 85764 Neuherberg, Germany.
authors: Andras
authors: A
authors: Gaspar
authors: Marianna
authors: M
authors: Lucio
authors: Mourad
authors: M
authors: Harir
authors: Philippe
authors: P
authors: Schmitt-Kopplin
mesh_terms: D000465:Algorithms; D001895:Boron / Q000737:chemistry*; D001896:Boron Compounds / Q000737:chemistry*; D004952:Esters / Q000737:chemistry; D005583:Fourier Analysis; D009930:Organic Chemicals / Q000032:analysis / Q000737:chemistry*; D012987:Soil / Q000737:chemistry*; D021241:Spectrometry, Mass, Electrospray Ionization / Q000379:methods*
chemical_list: D001896:Boron Compounds; D004952:Esters; D009930:Organic Chemicals; D012987:Soil; D001895:Boron