Title
Characterization of organic isomers: CID fragmentation technique on protonated hydroxybenzophenone isomers
Date Issued
10 February 2020
Access level
open access
Resource Type
journal article
Author(s)
Publisher(s)
Arkat
Abstract
We have studied the fragmentation dynamics of the protonated 2-, 3- and 4-hydroxybenzophenones (2H+, 3H+ and 4H+, 191 m/z) obtained by CID (“Collision Induced Dissociation”) technique coupled to Mass Spectrometer with electrospray source (MS-ESI). The CID-fragmentation patterns involve the C7OH5+ (105 m/z) and C7O2H5+ (121 m/z) cations, for which the intensity ratio is typical to the isomer considered. 2H+ and 3H+ yield preferably C7O2H5+ (121 m/z) and C7OH5+ (105 m/z) respectively, while 4H+ yields both cations in similar quantity. The fragmentation pathways were analyzed and discussed, taking into account the “model of free-proton” and results from computational calculations at B3LYP/6-311++G(d,p) level of theory. CID/MS-ESI fragmentation technique employed to characterize hydroxybenzophenone isomers. Main structures in the spectrum: Parent cation (199 m/z), C7O2H5+ (121 m/z), C7OH5+ (105 m/z).
Start page
53
End page
60
Volume
2020
Issue
2
Language
English
OCDE Knowledge area
Química
Subjects
Scopus EID
2-s2.0-85093909963
Source
Arkivoc
ISSN of the container
15517004
Sponsor(s)
This research has been possible thanks to the support of the scholarship program UNI-agreement?N◦?167?-2015 - Fondecyct UNI Consejo Nacional de Ciencia, Tecnología e Innovación Tecnológica, CONCYTEC. A special thanks to Rocío Ramos (JAE-tec) from laboratory of Thermochemistry of IQFR-CSIC, Madrid. A.F.L. acknowledges the support from the brazilian funding agencies: Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq), Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES), Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP).
Sources of information:
Directorio de Producción Científica
Scopus