A computational and experimental study of the fragmentation of l-leucine, l-isoleucine and l-allo-isoleucine under collision-induced dissociation tandem mass spectrometry.
Analyst
; 145(20): 6632-6638, 2020 Oct 21.
Article
in En
| MEDLINE
| ID: mdl-32797137
ABSTRACT
The isomeric amino acids l-leucine, l-isoleucine and l-allo-isoleucine, are essential to many vital biological processes and are therefore of interest to the fields of metabolomics and proteomics. Their discrimination can be problematic however due to their isomeric natue. This study demonstrates a systematic investigation of the fragmentations of l-leucine, l-isoleucine and l-allo-isoleucine in combination with a thorough theoretical rationalisation. Collision induced dissociation (CID) tandem mass spectra (MS/MS) of all three amino acids were collected under a range of different collision energies to identify spontaneous and sequential fragmentation processes. We demonstrate that the three structural isomers can be distinguished by their CID MS/MS spectra, and additional computational modelling is used to rationalise these differences.
Full text:
1
Collection:
01-internacional
Database:
MEDLINE
Main subject:
Tandem Mass Spectrometry
/
Isoleucine
Limits:
Humans
Language:
En
Journal:
Analyst
Year:
2020
Document type:
Article
Affiliation country:
United kingdom