title: Characterisation of commercially available linear alkylbenzenesulfonates by LC-SPE-NMR/MS (liquid chromatography-solid phase extraction-nuclear magnetic resonance spectroscopy-mass spectroscopy).
abstract: Commercially available linear alkylbenzenesulfonates (LASs) are a mixture of various homologues and isomers, leading to 20 major species. In this work we investigated the commercial product by liquid chromatography-solid phase extraction-nuclear magnetic resonance spectroscopy-mass spectrometry (LC-SPE-NMR/MS). The commercial product was separated into 17 fractions by liquid chromatography (LC). After chromatographic separation, 5% of the flow was split to a mass spectrometer (MS) while 95% was send to post-column solid phase extraction cartridges for enrichment of the analytes (LC-SPE). After elution from the SPE-cartridges a NMR-spectrometer equipped with a cryo-probe was used for the characterisation of the different LASs species. For the first time (1)H-1D and H-H-COSY spectra for 14 LASs species out of 20 major isomers are presented, whereas the 6 remaining species are detected as mixtures in 3 (1)H-1D and H-H-COSY spectra. These data were used to correlate the chromatographic retention of the LASs isomers to the substitution pattern of the alkyl chain.
authors.affiliation: Department of Chemistry, Humboldt-University, Brook-Taylor-Str. 2, D-12489 Berlin, Germany. sebastian.schmidt@bam.de
authors.forename: S
authors.initials: S
authors.lastname: Schmidt
authors.forename: C
authors.initials: C
authors.lastname: Piechotta
authors.forename: M
authors.initials: M
authors.lastname: Godejohann
authors.forename: T
authors.initials: T
authors.lastname: Win
authors.forename: I
authors.initials: I
authors.lastname: Nehls
authors.forename: C
authors.initials: C
authors.lastname: Mügge