Modeling Kinetic Shifts for Tight Transition States in Threshold Collision-Induced Dissociation. Case Study:  Phenol Cation†

Felician Muntean; P. B. Armentrout

doi:10.1021/jp020464e

Modeling Kinetic Shifts for Tight Transition States in Threshold Collision-Induced Dissociation. Case Study: Phenol Cation†

The Journal of Physical Chemistry B ◽

10.1021/jp020464e ◽

2002 ◽

Vol 106 (33) ◽

pp. 8117-8124 ◽

Cited By ~ 23

Author(s):

Felician Muntean ◽

P. B. Armentrout

Keyword(s):

Transition States ◽

Collision Induced Dissociation

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Ultrahigh Mass Accuracy in Isotope-Selective Collision-Induced Dissociation Using Correlated Sweep Excitation and Sustained Off-Resonance Irradiation: A Fourier Transform Ion Cyclotron Resonance Mass Spectrometry Case Study on the [M + 2H]2+Ion of Bradykinin

Analytical Chemistry ◽

10.1021/ac970254b ◽

1997 ◽

Vol 69 (17) ◽

pp. 3603-3607 ◽

Cited By ~ 25

Author(s):

Albert J. R. Heck ◽

Peter J. Derrick

Keyword(s):

Mass Spectrometry ◽

Fourier Transform ◽

Cyclotron Resonance ◽

Mass Accuracy ◽

Collision Induced Dissociation ◽

Ion Cyclotron Resonance ◽

Ion Cyclotron

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Systematic Comparisons between Broken Symmetry and Symmetry-Adapted Approaches to Transition States by Chemical Indices: A Case Study of the Diels−Alder Reactions†

The Journal of Physical Chemistry A ◽

10.1021/jp021125o ◽

2003 ◽

Vol 107 (5) ◽

pp. 682-694 ◽

Cited By ~ 30

Author(s):

Hiroshi Isobe ◽

Yu Takano ◽

Yasutaka Kitagawa ◽

Takashi Kawakami ◽

Syusuke Yamanaka ◽

...

Keyword(s):

Transition States ◽

Diels Alder ◽

Broken Symmetry

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Understanding collision-induced dissociation of dofetilide: a case study in the application of density functional theory as an aid to mass spectral interpretation

The Analyst ◽

10.1039/c3an01103h ◽

2013 ◽

Vol 138 (22) ◽

pp. 6869 ◽

Cited By ~ 9

Author(s):

Patricia Wright ◽

Alexander Alex ◽

Sophie Harvey ◽

Teresa Parsons ◽

Frank Pullen

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Collision Induced Dissociation ◽

Functional Theory ◽

Mass Spectral ◽

Spectral Interpretation

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Proton transfer via strained transition states in the elimination of alcohols from MH+ ions of stereoisomeric diethers and hydroxy esters upon chemical ionization and collision-induced dissociation

Journal of Mass Spectrometry ◽

10.1002/jms.148 ◽

2001 ◽

Vol 36 (4) ◽

pp. 422-429 ◽

Cited By ~ 7

Author(s):

Chagit Denekamp ◽

Asher Mandelbaum

Keyword(s):

Proton Transfer ◽

Chemical Ionization ◽

Transition States ◽

Collision Induced Dissociation ◽

Hydroxy Esters

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Modeling Kinetic Shifts and Competition in Threshold Collision-Induced Dissociation. Case Study: n-Butylbenzene Cation Dissociation

The Journal of Physical Chemistry A ◽

10.1021/jp035256g ◽

2003 ◽

Vol 107 (38) ◽

pp. 7413-7422 ◽

Cited By ~ 19

Author(s):

Felician Muntean ◽

P. B. Armentrout

Keyword(s):

Collision Induced Dissociation ◽

Cation Dissociation

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Elucidation of Fragmentation Mechanisms of Protonated Peptide Ions and Their Products: A Case Study on Glycylglycylglycine Using Density Functional Theory and Threshold Collision-Induced Dissociation

Journal of the American Chemical Society ◽

10.1021/ja0207293 ◽

2003 ◽

Vol 125 (30) ◽

pp. 9229-9236 ◽

Cited By ~ 87

Author(s):

Houssain El Aribi ◽

Christopher F. Rodriquez ◽

David R. P. Almeida ◽

Yun Ling ◽

William W.-N. Mak ◽

...

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Protonated Peptide ◽

Collision Induced Dissociation ◽

Peptide Ions ◽

Functional Theory ◽

Fragmentation Mechanisms

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Improved agreement between experimental and computational results for collision-induced dissociation mass spectrometry of cation-tagged hexoses

Physical Chemistry Chemical Physics ◽

10.1039/d0cp00286k ◽

2020 ◽

Vol 22 (13) ◽

pp. 6928-6941

Author(s):

Cheng-chau Chiu ◽

Chih-Kai Lin ◽

Jer-Lai Kuo

Keyword(s):

Mass Spectrometry ◽

Transition States ◽

Collision Induced Dissociation ◽

Computational Results ◽

Dft Methods ◽

Charge Localization ◽

Exact Exchange

Low exact exchange DFT methods underestimate the dehydration barriers as the charge localization in such transition states is challenging to describe.

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In-tube collision-induced dissociation for selected ion flow-drift tube mass spectrometry, SIFDT-MS: a case study of NO+ reactions with isomeric monoterpenes

Rapid Communications in Mass Spectrometry ◽

10.1002/rcm.7679 ◽

2016 ◽

Vol 30 (18) ◽

pp. 2009-2016 ◽

Cited By ~ 4

Author(s):

Anatolii Spesyvyi ◽

Kristýna Sovová ◽

Patrik Španěl

Keyword(s):

Mass Spectrometry ◽

Drift Tube ◽

Collision Induced Dissociation ◽

Ion Flow

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Threshold collision-induced dissociation of diatomic molecules: A case study of the energetics and dynamics of O2− collisions with Ar and Xe

The Journal of Chemical Physics ◽

10.1063/1.1989321 ◽

2005 ◽

Vol 123 (6) ◽

pp. 064308 ◽

Cited By ~ 5

Author(s):

F. Ahu Akin ◽

Jongbaik Ree ◽

Kent M. Ervin ◽

Hyung Kyu Shin

Keyword(s):

Diatomic Molecules ◽

Collision Induced Dissociation

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Case Study: The Unanticipated Loss of N2 from Novel DNA Alkylating Agent Laromustine by Collision-Induced Dissociation: Novel Rearrangements

Biotransformation and Metabolite Elucidation of Xenobiotics ◽

10.1002/9780470890387.ch5 ◽

2010 ◽

pp. 217-228 ◽

Cited By ~ 2

Author(s):

Ala F. Nassar ◽

Jing Du ◽

David Roberts ◽

Kevin Lin ◽

Mike Belcourt ◽

...

Keyword(s):

Alkylating Agent ◽

Collision Induced Dissociation ◽

Dna Alkylating Agent

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