Substituted 3-phenylpropenoates and related analogs: Electron ionization mass spectral fragmentation and density functional theory calculations

Journal of Mass Spectrometry

Volumn 43, Issue 8, 2008, Pages 1053-1062

  Wheelock, C E ^a,b   Colvin, M E ^c   Sanborn, J R ^a   Hammock, B D ^a  

^a UNIVERSITY OF CALIFORNIA   (United States)

^b KAROLINSKA INSTITUTE   (Sweden)

^c UNIVERSITY OF CALIFORNIA   (United States)

Author keywords

3 phenylpropenoate; Benzopyrylium cation; Density functional theory calculations; Electron ionization mass spectrometry; Substituted cinnamic esters

Indexed keywords

ATOMIC PHYSICS; ATOMS; BIOCATALYSTS; BROMINE; CHLORINE; CHLORINE COMPOUNDS; ELECTRONS; ESTERS; HIGH PERFORMANCE LIQUID CHROMATOGRAPHY; IONIZATION; MASS SPECTROMETRY; OLEFINS; ORGANIC COMPOUNDS; POSITIVE IONS; PROBABILITY DENSITY FUNCTION;

3-PHENYLPROPENOATE; BENZOPYRYLIUM CATION; DENSITY FUNCTIONAL THEORY CALCULATIONS; ELECTRON DENSITIES; ELECTRON IONIZATION; ELECTRON IONIZATION MASS SPECTROMETRY; ELECTROPHILICITY; FRAGMENTATION MECHANISMS; HALOGEN DISPLACEMENT; IONIZATION ENERGIES; MASS FRAGMENTATION; MASS SPECTRAL FRAGMENTATION; NEUTRAL ATOMS; NEUTRAL RADICALS; PARA POSITION; PHENYL RINGS; RADICAL CATION; SUBSTITUTED CINNAMIC ESTERS;

DENSITY FUNCTIONAL THEORY;

ALKENE; ALKENE DERIVATIVE; BROMINE; CATION; CHLORINE; ESTER DERIVATIVE; HALOGEN; PHENYL GROUP;

ARTICLE; ATOM; CHEMICAL STRUCTURE; DENSITY FUNCTIONAL THEORY; ELECTRON; ENERGY; FRAGMENTATION REACTION; IONIZATION; MASS SPECTROMETER; PRIORITY JOURNAL; SUBSTITUTION REACTION;

ALKENES; CATIONS; CHLORINE; DIOXINS; ISOMERISM; PROPIONATES; SPECTROMETRY, MASS, ELECTROSPRAY IONIZATION; THERMODYNAMICS;

EID: 49549106900     PISSN: 10765174     EISSN: 10969888     Source Type: Journal    
DOI: 10.1002/jms.1384     Document Type: Article

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