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He, Y. ; Harir, M. ; Chen, G.* ; Gougeon, R.D.* ; Zhang, L.* ; Huang, X.* ; Schmitt-Kopplin, P.

Capillary Electrokinetic Fractionation Mass Spectrometry (CEkF/MS): Technology setup and application to metabolite fractionation from complex samples coupled at-line with ultrahigh resolution mass spectrometry.

Electrophoresis 35, 1965-1975 (2014)

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Open Access Green as soon as Postprint is submitted to ZB.

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Capillary Electrokinetic Fractionation (CEkF) is investigated as a new, simple and robust approach for semi-preparative and analytical sample analysis based on pKa-dependant pH-driven electrophoretic mobility. CEkF was optimized with contactless conductivity detection and conducted with 10 kV reverse voltage for 10 min, then coupled on/at-line to electrospray ionization (ESI) mass spectrometry (MS). We propose a semi-empirical model with 14 representative compounds based on the correlation between sample/medium pH regulating the partial charge, the electrokinetic loading of the capillary and intensity (I) of analytes. According to the model, an empirical function (I = f (pH)) could be derived to calculate the acid dissociation constant (pKa) of various model compounds based on their pH-dependant MS intensity profiles with the RSD less than 4.05. Using the ultrahigh resolution of ion cyclotron resonance Fourier Transform mass spectrometry (ICR-FT/MS), the pKa model was further illustrated in real samples into the structure prediction of important compounds in wine over 2 vintages. The established CEkF was successfully used to selectively fractionate sulfur compounds from the complex wine samples at pH 1.66. The proposed CEkF approach should allow in the future the simultaneous pKa evaluation of multiple constituents without complicated separation out of a complex mixture in metabolomics or environmental chemistry.

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Publication type Article: Journal article

Document type Scientific Article

Corresponding Author

Keywords Capillary Electrophoresis (ce) ; Capillary Electrokinetic Fraction (cekf) ; Dissociation Constant (pka) ; Ion Cyclotron Resonance Fourier Transform Mass Spectrometer (icr-ft/ms) ; Model ; Wine; Contactless Conductivity Detection; Ether Ketone Capillaries; Hydroxy-s-triazines; Zone-electrophoresis; Humic Substances; Red Wines; Pk(a); Isotachophoresis; Mobilities; Constants

ISSN (print) / ISBN 0173-0835

e-ISSN 1522-2683

Journal Electrophoresis

Quellenangaben Volume: 35, Issue: 14, Pages: 1965-1975

Publisher Wiley

Publishing Place Hoboken

Non-patent literature Publications

Reviewing status Peer reviewed

Institute(s) Research Unit Analytical BioGeoChemistry (BGC)