Differentiation of diastereoisomers of protected 1,2-diaminoalkylphosphonic acids by EI mass spectrometry and density functional theory

Journal of the American Society for Mass Spectrometry

Volumn 24, Issue 3, 2013, Pages 388-398

  Drabik, Ewelina ^a   Krasiński, Grzegorz ^a   Cypryk, Marek ^a   Błaszczyk, Roman ^b   Gajda, Tadeusz ^b   Sochacki, Marek ^a  

^a CENTRE OF MOLECULAR AND MACROMOLECULAR STUDIES   (Poland)

^b LODZ UNIVERSITY OF TECHNOLOGY   (Poland)

Author keywords

Aminoalkylphosphonic acids; Collision induced dissociation; Density functional theory; Differentiation of diastereoisomers; Electron ionization; Fragmentation mechanism

Indexed keywords

COLLISION INDUCED DISSOCIATION; DENSITY FUNCTIONAL THEORIES (DFT); DENSITY FUNCTIONAL THEORY CALCULATIONS; DIASTEREOISOMERS; ELECTRON IONIZATION; ELECTRON IONIZATION MASS SPECTROMETRY; FRAGMENTATION MECHANISM; FREE-ENERGY CALCULATIONS;

IONIZATION; MASS SPECTROMETRY; STEREOCHEMISTRY;

DENSITY FUNCTIONAL THEORY;

1,2 DIAMINOALKLYPHOSPHONIC ACID; 5 PHENYL (2 THIOXOIMIDAZOLIDIN 4 YL)PHOSPHONATE; CHEMICAL COMPOUND; DIETHYLPHOSPHONATE; PHOSPHONIC ACID DERIVATIVE; UNCLASSIFIED DRUG;

ARTICLE; ATOM; CALCULATION; CHEMICAL COMPOSITION; COLLISIONALLY ACTIVATED DISSOCIATION; DENSITY FUNCTIONAL THEORY; DIASTEREOISOMER; ELECTRON IONIZATION MASS SPECTROMETRY; ELIMINATION REACTION; FRAGMENTATION REACTION; HYDROGEN BOND; MASS SPECTROMETRY; QUANTUM MECHANICS; SUBSTITUTION REACTION;

EID: 84875892894     PISSN: 10440305     EISSN: 18791123     Source Type: Journal    
DOI: 10.1007/s13361-012-0556-y     Document Type: Article

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