Combined experimental and theoretical study on the nature and the metastable decay pathways of the thymine ion fragment [M-H]⎯.

Oddur Ingólfsson; Helga Dögg Flosadóttir; Hannes Jónsson; Stephan Denifl; Paul Scheier; Fabio Zappa; Nina Wendt; Andreas Mauracher; Arntraud Bacher; Tilmann D. Märk

doi:10.1002/anie.200703327

Combined experimental and theoretical study on the nature and the metastable decay pathways of the thymine ion fragment [M-H]⎯.

Oddur Ingólfsson, Helga Dögg Flosadóttir, Hannes Jónsson, Stephan Denifl, Paul Scheier, Fabio Zappa, Nina Wendt, Andreas Mauracher, Arntraud Bacher, Tilmann D. Märk

Faculty of Physical Sciences

Research output: Contribution to journal › Conference article › peer-review

Abstract

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. (Chemical Equation Presented).

Original language	English
Pages (from-to)	8057-8059
Number of pages	3
Journal	Conference Series of the Symposium on Atomic, Cluster and Surface Physics
Volume	46
Issue number	42
DOIs	https://doi.org/10.1002/anie.200703327
Publication status	Published - 2010

Other keywords

Amino acids
Mass spectrometry
Metastable compounds
Molecular dynamics

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10.1002/anie.200703327

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Ingólfsson, O., Flosadóttir, H. D., Jónsson, H., Denifl, S., Scheier, P., Zappa, F., Wendt, N., Mauracher, A., Bacher, A., & Märk, T. D. (2010). Combined experimental and theoretical study on the nature and the metastable decay pathways of the thymine ion fragment [M-H]⎯. Conference Series of the Symposium on Atomic, Cluster and Surface Physics, 46(42), 8057-8059. https://doi.org/10.1002/anie.200703327

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title = "Combined experimental and theoretical study on the nature and the metastable decay pathways of the thymine ion fragment [M-H]⎯.",

abstract = "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. (Chemical Equation Presented).",

keywords = "Amino acids, Mass spectrometry, Metastable compounds, Molecular dynamics",

author = "Oddur Ing{\'o}lfsson and Flosad{\'o}ttir, {Helga D{\"o}gg} and Hannes J{\'o}nsson and Stephan Denifl and Paul Scheier and Fabio Zappa and Nina Wendt and Andreas Mauracher and Arntraud Bacher and M{\"a}rk, {Tilmann D.}",

year = "2010",

doi = "10.1002/anie.200703327",

language = "English",

volume = "46",

pages = "8057--8059",

journal = "Conference Series of the Symposium on Atomic, Cluster and Surface Physics",

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}

Ingólfsson, O, Flosadóttir, HD, Jónsson, H, Denifl, S, Scheier, P, Zappa, F, Wendt, N, Mauracher, A, Bacher, A & Märk, TD 2010, 'Combined experimental and theoretical study on the nature and the metastable decay pathways of the thymine ion fragment [M-H]⎯.', Conference Series of the Symposium on Atomic, Cluster and Surface Physics, vol. 46, no. 42, pp. 8057-8059. https://doi.org/10.1002/anie.200703327

Combined experimental and theoretical study on the nature and the metastable decay pathways of the thymine ion fragment [M-H]⎯. / Ingólfsson, Oddur; Flosadóttir, Helga Dögg; Jónsson, Hannes et al.
In: Conference Series of the Symposium on Atomic, Cluster and Surface Physics, Vol. 46, No. 42, 2010, p. 8057-8059.

Research output: Contribution to journal › Conference article › peer-review

TY - JOUR

T1 - Combined experimental and theoretical study on the nature and the metastable decay pathways of the thymine ion fragment [M-H]⎯.

AU - Ingólfsson, Oddur

AU - Flosadóttir, Helga Dögg

AU - Jónsson, Hannes

AU - Denifl, Stephan

AU - Scheier, Paul

AU - Zappa, Fabio

AU - Wendt, Nina

AU - Mauracher, Andreas

AU - Bacher, Arntraud

AU - Märk, Tilmann D.

PY - 2010

Y1 - 2010

N2 - 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. (Chemical Equation Presented).

AB - 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. (Chemical Equation Presented).

KW - Amino acids

KW - Mass spectrometry

KW - Metastable compounds

KW - Molecular dynamics

UR - http://www.scopus.com/inward/record.url?scp=35648938704&partnerID=8YFLogxK

U2 - 10.1002/anie.200703327

DO - 10.1002/anie.200703327

M3 - Conference article

C2 - 17854111

AN - SCOPUS:35648938704

VL - 46

SP - 8057

EP - 8059

JO - Conference Series of the Symposium on Atomic, Cluster and Surface Physics

JF - Conference Series of the Symposium on Atomic, Cluster and Surface Physics

IS - 42

ER -

Combined experimental and theoretical study on the nature and the metastable decay pathways of the thymine ion fragment [M-H]⎯.

Abstract

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