Energy-resolved collision-induced dissociation of non-covalent ions: charge- and guest-dependence of decomplexation reaction efficiencies

2016 ◽  
Vol 18 (18) ◽  
pp. 12557-12568 ◽  
Author(s):  
Glenn Carroy ◽  
Vincent Lemaur ◽  
Julien De Winter ◽  
Lyle Isaacs ◽  
Edwin De Pauw ◽  
...  
Keyword(s):  
Mass Spectrometry ◽  
Computational Chemistry ◽  
Charge State ◽  
Collision Induced Dissociation

The influence of the charge state on the CID reactions undergone by host–guest complexes is monitored by mass spectrometry and described by computational chemistry.

Rapid Evaluation of Suitable Substrates with High Affinity to Artificial Caffeine Receptors by MS Based Techniques

2005 ◽  
Vol 60 (10) ◽  
pp. 1077-1082 ◽  
Author(s):  
Daniela Mirk ◽  
Heinrich Luftmann ◽  
Siegfried R. Waldvogel
Keyword(s):  
Mass Spectrometry ◽  
Gas Phase ◽  
Collision Induced Dissociation ◽  
Rapid Evaluation ◽  
Tandem Mass ◽  
Binding Affinities ◽  
Electrospray Tandem Mass Spectrometry ◽  
Relative Stabilities ◽  
Receptor Complexes ◽  
High Affinity

A modification of our triphenylene ketal based receptor facilitates electrospray tandem mass spectrometry investigations. Binding affinities of eleven potential substrates, e.g. caffeine and other xanthine alkaloids, are probed in the gas phase with collision induced dissociation. The relative stabilities of the substrate-receptor complexes are rapidly determined and the findings are correlated with the corresponding results in solution.

Differentiation of the Isomeric o-(m- and p-) Nitro-(Chloro- and Bromo-)Benzyl-2,4-(and 2,1-) Disubstituted 2-Thiocytosinium Halides by Electron Impact Ionisation and Fast Atom Bombardment Mass Spectrometry

2009 ◽  
Vol 15 (4) ◽  
pp. 497-506 ◽  
Author(s):  
Tomasz Pospieszny ◽  
Elżbieta Wyrzykiewicz
Keyword(s):  
Mass Spectrometry ◽  
Mass Spectra ◽  
Fast Atom Bombardment ◽  
Collision Induced Dissociation ◽  
Mass Measurements ◽  
Fragmentation Pathways ◽  
Mass Spectral ◽  
Fragment Ions ◽  
Accurate Mass Measurements ◽  
Impact Ionisation

Electron ionisation (EI) and fast atom bombardment (FAB) mass spectral fragmentations of nine 2,4-(and 2,1-) disubstituted o-( m- and p-)nitro-(chloro- and bromo-)-2-thiocytosinium halides are investigated. Fragmentation pathways, whose elucidation is assisted by accurate mass measurements and metastable transitions [EI-mass spectrometry (MS)], as well as FAB/collision-induced dissociation (CID) mass spectra measurements are discussed. The correlations between the abundances of the (C11H10N4SO2)+1–3; (C11H10N3SCl)+4–6 and (C11H10N3SBr)+7–9 ions and the selected fragment ions (EI-MS), as well as (C18H16N5SO4)+1–3; (C18H16N3SCl2)+4–6 and (C18H16N3SBr2) + 7–9 ions and the selected ions (C7H6NO2)+1–3; (C7H6Cl)+ 4–6; (C7H6Br)+ 7–9 (FAB-MS) are discussed. The data obtained can be used for distinguishing isomers.

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