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Accueil du site > Production scientifique > Effective Ion Mobility Peak Width as a New Isomeric Descriptor for the Untargeted Analysis of Complex Mixtures Using Ion Mobility-Mass Spectrometry

Effective Ion Mobility Peak Width as a New Isomeric Descriptor for the Untargeted Analysis of Complex Mixtures Using Ion Mobility-Mass Spectrometry

Date de publication: 18 juillet 2017

M. Farenc, B. Paupy, S. Marceau, E. Riches, C. Afonso, P. Giusti
J. Am. Soc. Mass Spectrom. 28(11) 2476-2482 (2017). DOI

Travail réalisé sur le site de l’Université de Rouen-Normandie.

Abstract

Ion mobility coupled with mass spectrometry was proved to be efficient way to characterize complex mixtures such as petroleum samples. However, the identification of isomeric species is difficult owing to the molecular complexity of petroleum and no availability of standard molecules. This paper proposes a new simple indicator to estimate the isomeric content of highly complex mixtures. This indicator is based on the full width at half maximum (FWHM) of the extracted ion mobility peak measured in millisecond or square angstrom which is corrected for instrumental factors such as ion diffusion. This value can be easily obtained without precisely identifying the number of isomeric species under the ion mobility peaks. Actually, considering the Boduszynski model, the ion mobility profile for a particular elemental composition is expected to be a continuum of various isomeric species. The drift time dependent fragmentation profile was studied and confirmed this hypothesis showing a continuous evolution of the fragmentation profile showing that the larger alkyl chain species were detected at higher drift time values. Finally, this new indicator was proved to be a fast and efficient method to compare vacuum gas oils for which no difference was found using other analytical techniques.