@article{17898bf448da402a8ea86395dccb8853,
title = "Mapping the complex metastable fragmentation pathways of excited 3-aminophenol +",
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 + , C 6 H 7 NO + ). 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 + C 5 H 6 N + (m/z 80) → CNH + C 4 H 5 + (m/z 53) → C 2 H 2 + C 2 H 3 + (m/z 27). ",
keywords = "3-Aminophenol, DFT calculations, Double hydrogen loss, Metastable fragmentation, Reflectron time-of-flight mass spectrometry, Sequential fragmentation",
author = "Jana Bockova and Andr{\'e} Rebelo and Michal Ryszka and Rahul Pandey and {da Fonseca Cunha}, Tiago and Paulo Lim{\~a}o-Vieira and Mason, {Nigel J.} and Poully, {Jean Christophe} and Samuel Eden",
note = "info:eu-repo/grantAgreement/FCT/5876/147258/PT# SE acknowledges the support the British EPRC through a Life Sciences Interface Fellowship (EP/E039618/1), a Career Acceleration Fellowship (EP/J002577/1), and a Research Grant (EP/L002191/1). The European Commission is acknowledged for a Marie Curie Intra-European Reintegration Grant (MERG-CT-2007-207292). SE and J-CP are grateful to the CNRS for a PICS grant (07390) supporting the collaboration between CIMAP/GANIL and the OU. TdFC and AR acknowledge the Portuguese National Funding Agency FCT-MCTES through grants SFRH/BD/52538/2014 and PD/BD/114449/2016. This work was supported by Radiation Biology and Biophysics Doctoral Training Programme (RaBBiT, PD/00193/2012); UID/FIS/00068/2019 (CEFI-TEC). PLV also acknowledges the research grant PTDC/FIS-AQM/31281/2017.",
year = "2019",
month = aug,
doi = "10.1016/j.ijms.2019.05.006",
language = "English",
volume = "442",
pages = "95--101",
journal = "International Journal of Mass Spectrometry",
issn = "1387-3806",
publisher = "Elsevier Science B.V., Amsterdam.",
}