Competitive McLafferty-type rearrangements of sodium adduct of anti-2,3-dihydroxy-1-phenylpentane-1,4-dione compounds in tandem mass spectrometry.
Eur J Mass Spectrom (Chichester)
; 24(6): 437-441, 2018 Dec.
Article
em En
| MEDLINE
| ID: mdl-30253654
ABSTRACT
Sodium adducts of anti-2,3-dihydroxy-1-phenylpentane-1,4-dione compounds with different substituents were studied by collision-induced dissociation. McLafferty-type rearrangements preceding fragmentation were found as their main fragmentation pathway. Coordination of sodium cation to the oxygen functions may either lead to formation of a five-membered or a six-membered ring. Two McLafferty-type rearrangement product ions exhibiting a mass difference of 2 u indicated that two competitive McLafferty-type rearrangements through a six-membered ring coordination occurred. Relative abundances of the corresponding product ions were studied by energy-resolved collision-induced dissociation experiments and density functional theory calculations. Furthermore, the influence of different substituents was probed.
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01-internacional
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MEDLINE
Idioma:
En
Revista:
Eur J Mass Spectrom (Chichester)
Ano de publicação:
2018
Tipo de documento:
Article