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

• Published in: MethodsX Vol. 9; p. 101621
• Main Authors: Peschel, Christoph, Horsthemke, Fabian, Winter, Martin, Nowak, Sascha
• Format: Journal Article
• Language: English
• Published: Netherlands Elsevier B.V 01-01-2022; Elsevier
• Subjects: GC-HRMS; Lithium ion battery electrolytes; Method; Orbitrap mass spectrometry; Target analysis; Target analysis via GC-HRMS of lithium ion battery electrolyte decomposition; BEC; MPC; Orbitrap mass spectrometry; Lithium ion battery electrolytes; EI; LIB; Target analysis via GC-HRMS of lithium ion battery electrolyte decomposition; GC-HRMS; GC-MS; sBMC; Target analysis; HRMS; SPME; FWHM; sBEC; BMC; EPC; EIC; SQ; SQ, single quadrupole; EPC, ethyl propyl carbonate; EIC, extracted ion chromatogram; GC-MS, gas chromatography – mass spectrometry; sBEC, sec-butyl ethyl carbonate; BMC, n-butyl methyl carbonate; HRMS, high resolution mass spectrometry; BEC, n-butyl ethyl carbonate; LIB, lithium ion battery; MPC, methyl propyl carbonate; EI, electron ionization; SPME, solid phase microextraction; FWHM, full width at half maximum; sBMC, sec-butyl methyl carbonate
• ISSN: 2215-0161; 2215-0161
• DOI: 10.1016/j.mex.2022.101621

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.
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