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Combined Experimental and Theoretical Study on the Nature and the Metastable Decay Pathways of the Amino Acid Ion Fragment [ M −H] −
Author(s) -
Flosadóttir Helga Dögg,
Denifl Stephan,
Zappa Fabio,
Wendt Nina,
Mauracher Andreas,
Bacher Arntraud,
Jónsson Hannes,
Märk Tilmann D.,
Scheier Paul,
Ingólfsson Oddur
Publication year - 2007
Publication title -
angewandte chemie international edition
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 5.831
H-Index - 550
eISSN - 1521-3773
pISSN - 1433-7851
DOI - 10.1002/anie.200703327
Subject(s) - metastability , chemistry , ion , ionization , amino acid , nitrogen , hydrogen , electron capture , fragment (logic) , valine , chemical physics , computational chemistry , organic chemistry , biochemistry , programming language , computer science
Breaking up is hard to do : The dominating negative‐ion fragment formed by dissociative electron attachment (DEA) to amino acids or by their ionization through MALDI is [ M −H] − . Three different experimental techniques and molecular dynamics calculations are used to determine the site of hydrogen loss and which metastable decay pathways (for valine, see picture; blue nitrogen, red oxygen) dominate further decay.