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

Bockova, Janka; Rebelo, Andre; Ryszka, Michal; Pandey, Rahul; da Fonseca Cunha, T.; Limão-Vieira, P.; Mason, Nigel; Poully, J.C. and Eden, Sam (2019). Mapping the complex metastable fragmentation pathways of excited 3-aminophenol+. International Journal of Mass Spectrometry, 442 pp. 95–101.

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DOI (Digital Object Identifier) Link: https://doi.org/10.1016/j.ijms.2019.05.006
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Abstract

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+). Multiphoton ionization experiments revealed the excited ion's fragmentation routes for the first time and comparisons with calculated flight-times enabled 18 μs-timescale dissociations to be assigned. These included the rare observation of a double hydrogen loss channel from a fragment ion. Ab initio 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: Journal Item
Copyright Holders: 2019 Elsevier B.V.
ISSN: 1387-3806
Keywords: Metastable fragmentation; Reflectron time-of-flight mass spectrometry; 3-Aminophenol; Ab initio calculations; Sequential fragmentation; Double hydrogen loss
Academic Unit/School: Faculty of Science, Technology, Engineering and Mathematics (STEM) > Physical Sciences
Faculty of Science, Technology, Engineering and Mathematics (STEM)
Item ID: 61239
Depositing User: ORO Import
Date Deposited: 15 May 2019 16:04
Last Modified: 13 Nov 2019 14:26
URI: http://oro.open.ac.uk/id/eprint/61239
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