Loading…

Mapping the complex metastable fragmentation pathways of excited 3-aminophenol

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...

Full description

Saved in:
Bibliographic Details
Published in:International journal of mass spectrometry 2019-08, Vol.442, p.95-101
Main Authors: Bockova, J., Rebelo, A., Ryszka, M., Pandey, R., da Fonseca Cunha, T., Limão-Vieira, P., Mason, N.J., Poully, J.C., Eden, S.
Format: Article
Language:English
Subjects:
Citations: Items that this one cites
Items that cite this one
Online Access:Get full text
Tags: Add Tag
No Tags, Be the first to tag this record!
Description
Summary: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). [Display omitted] •2D mapping reveals an exceptionally rich metastable dissociation pattern of 3AP+.•Double hydrogen loss has been detected from a fragment ion – a rare observation.•Ab initio calculations elucidated the strongest apparent fragmentation sequence.
ISSN:1387-3806
1873-2798
DOI:10.1016/j.ijms.2019.05.006