Implementation of orbitrap mass spectrometry for improved GC-MS target analysis in lithium ion battery electrolytes

Christoph Peschel; Fabian Horsthemke; Martin Winter; Sascha Nowak

doi:10.1016/j.mex.2022.101621

Implementation of orbitrap mass spectrometry for improved GC-MS target analysis in lithium ion battery electrolytes

MethodsX. 2022 Jan 14:9:101621. doi: 10.1016/j.mex.2022.101621. eCollection 2022.

Authors

Christoph Peschel¹, Fabian Horsthemke¹, Martin Winter^{1

2}, Sascha Nowak¹

Affiliations

¹ University of Münster, MEET Battery Research Center, Corrensstraße 46, 48149 Münster, Germany.
² Helmholtz-Institute Münster, IEK-12, Forschungszentrum Jülich, Corrensstraße 46, 48149 Münster, Germany.

Abstract

The implementation of orbitrap mass spectrometry for target analysis of volatile species in aged lithium-ion batteries was performed in a case study on butyl carbonates. In comparison to previously applied single quadrupole-based methods, major improvements were obtained.•Sensitivity was improved by effectively background free extracted ion chromatograms of identified marker fragment ions.•Typical isobaric interferences of typical carbonate fragment ions e.g. caused by column bleeding were identified and false positive identification avoided.•Analysis of isotope labeled electrolytes was optimized regarding mass spectrometric data reliability with mass accuracies <0.5 ppm and mass resolutions >100,000.

Keywords: BEC, n-butyl ethyl carbonate; BMC, n-butyl methyl carbonate; EI, electron ionization; EIC, extracted ion chromatogram; EPC, ethyl propyl carbonate; FWHM, full width at half maximum; GC-HRMS; GC-MS, gas chromatography – mass spectrometry; HRMS, high resolution mass spectrometry; LIB, lithium ion battery; Lithium ion battery electrolytes; MPC, methyl propyl carbonate; Orbitrap mass spectrometry; SPME, solid phase microextraction; SQ, single quadrupole; Target analysis; sBEC, sec-butyl ethyl carbonate; sBMC, sec-butyl methyl carbonate.