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Roberto Fernández-Maestre1, Ching Wu, Herbert H Hill

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Summary

Adding 2-butanol to the buffer gas in electrospray ionization-ion mobility spectrometry-quadrupole mass spectrometry (ESI-IMS-QMS) selectively reduced ion mobilities by forming ion-2-butanol clusters. This technique improved the separation of compounds with similar mobilities, like serine and valinol.

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Area of Science:

  • Analytical Chemistry
  • Physical Chemistry

Background:

  • Ion mobility spectrometry (IMS) is a powerful analytical technique for separating ions based on their size, shape, and charge.
  • Modifying the IMS buffer gas composition can alter ion mobilities, enabling enhanced separation of complex mixtures.
  • Understanding the interactions between ions and buffer gas additives is crucial for optimizing IMS performance.

Purpose of the Study:

  • To investigate the effect of 2-butanol as a buffer gas additive on the ion mobilities of various compounds using ESI-IMS-QMS.
  • To explore the potential of 2-butanol addition for resolving mixtures of analytes with similar mobilities.
  • To elucidate the factors influencing ion-2-butanol cluster formation and its impact on ion mobility.

Main Methods:

  • Utilized electrospray ionization-ion mobility spectrometry-quadrupole mass spectrometry (ESI-IMS-QMS).
  • Introduced varying concentrations of 2-butanol into the nitrogen buffer gas.
  • Measured the mobilities of alpha-amino acids, tetraalkylammonium ions, pyridines, and valinol under different 2-butanol concentrations and temperatures.

Main Results:

  • Ion mobilities decreased with increasing 2-butanol concentration, with the extent of reduction varying based on ion size and steric hindrance.
  • Compounds with less steric hindrance (e.g., serine, valinol) showed greater mobility reductions due to significant ion-2-butanol cluster formation.
  • Tetraalkylammonium ions and 2,6-di-tert-butyl pyridine (DTBP) exhibited minimal mobility changes due to steric shielding of the charge.
  • Selective mobility variations allowed for the resolution of mixtures, such as serine and valinol, which co-eluted in a nitrogen-only buffer gas.
  • Lower buffer gas temperatures (100 °C) enhanced ion-2-butanol interactions and cluster formation, leading to larger mobility reductions, while higher temperatures (250 °C) prevented clustering.

Conclusions:

  • 2-butanol serves as an effective mobility-modifying agent in ESI-IMS-QMS, enabling selective separation of analytes.
  • The degree of mobility reduction is governed by the interplay of ion structure, steric hindrance, and 2-butanol concentration and temperature.
  • This approach offers a valuable strategy for improving the separation power of IMS for challenging mixtures.