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Mapping the complex metastable fragmentation pathways of excited 3-aminophenol+

Bockova, J., Rebelo, A., Ryszka, M., Pandey, R., da Fonseca Cunha, T., Limão-Vieira, P., Mason, Nigel, Poully, J.C., Eden, S. (2019) Mapping the complex metastable fragmentation pathways of excited 3-aminophenol+. International Journal of Mass Spectrometry, 442 . pp. 95-101. ISSN 1387-3806. (doi:10.1016/j.ijms.2019.05.006) (KAR id:74342)

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This work applies the technique of mapping ion detection using a reflectron mass spectrometer against flight-time and reflection voltage to elucidate the complex metastable fragmentation pattern of the biomolecular ion 3-aminophenol+ (3-AP+, C6H7NO+). Multi-photon ionization experiments revealed the excited ion's fragmentation routes for the first time and comparisons with calculated flight-times enabled 18  different μs-timescale dissociations to be assigned. These included the rare observation of a double hydrogen loss channel from a fragment ion. DFT calculations provided further insights into the most prominent apparent fragmentation sequence: 3-AP+ (m/z 109) → HCO + C5H6N+ (m/z 80) → CNH + C4H5+ (m/z 53) → C2H2 + C2H3+ (m/z 27).

Item Type: Article
DOI/Identification number: 10.1016/j.ijms.2019.05.006
Uncontrolled keywords: Metastable fragmentation, Reflectron time-of-flight mass spectrometry, 3-Aminophenol, DFT calculations, Sequential fragmentation, Double hydrogen loss
Divisions: Divisions > Division of Natural Sciences > Physics and Astronomy
Depositing User: Nigel Mason
Date Deposited: 10 Jun 2019 14:27 UTC
Last Modified: 09 Dec 2022 04:23 UTC
Resource URI: (The current URI for this page, for reference purposes)
Mason, Nigel:
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