Tandem Mass Spectrometry of Perfluorocarboxylate Anions: Fragmentation Induced by Reactive Species Formed From Microwave Excited Hydrogen and Water Plasmas
OAD of C<sub>3</sub>F<sub>7</sub>CO<sub>2</sub> <sup>-</sup> yields unique product ions C<sub>3</sub>F<sub>6</sub> <sup>-•</sup> (m/z 150) and C<sub>3</sub>F<sub>5</sub>O<sup>-</sup> (m/z 147) absent from collision-induced dissociation. DFT calculations suggest an intricate pathway of H• attack onto a β C-F bond, then loss of HF, decarboxylation, recombination with OH•, and finally α- or β- elimination of HF to give the products.
Authors
- Richard A. J. O’Hair (ORCID: https://orcid.org/0000-0002-8044-0502)
- Chris J. Bowen
- Jack G. Li
- Bun Chan (ORCID: https://orcid.org/0000-0002-0082-5497)
- Hidenori Takahashi (ORCID: https://orcid.org/0000-0001-6887-1724)
Institutions
- The University of Melbourne (AU)
- RIKEN Center for Computational Science (JP)
- Nagasaki University (JP)
- Shimadzu (Japan) (JP)
Publication Details
- Journal
- Rapid Communications in Mass Spectrometry
- Published
- 2024-11-27
- DOI
- https://doi.org/10.1002/rcm.9953
- Citations
- 1
- Primary Topic
- Per- and polyfluoroalkyl substances research
- Type
- article
- Field-Weighted Citation Impact
- 0.25
Funders
- RIKEN