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Analysis of supramolecular complexes of 3-methylxanthine with field asymmetric waveform ion mobility spectrometry combined with mass spectrometry

Miniaturised field asymmetric waveform ion mobility spectrometry (FAIMS), combined with mass spectrometry (MS), has been applied to the study of self-assembling, non-covalent supramolecular complexes of 3-methylxanthine (3-MX) in the gas phase. 3-MX forms stable tetrameric complexes around an alkali...

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Main Authors: Kayleigh Arthur, Gary Eiceman, Jim Reynolds, Colin Creaser
Format: Default Article
Published: 2016
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Online Access:https://hdl.handle.net/2134/20582
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author Kayleigh Arthur
Gary Eiceman
Jim Reynolds
Colin Creaser
author_facet Kayleigh Arthur
Gary Eiceman
Jim Reynolds
Colin Creaser
author_sort Kayleigh Arthur (1258242)
collection Figshare
description Miniaturised field asymmetric waveform ion mobility spectrometry (FAIMS), combined with mass spectrometry (MS), has been applied to the study of self-assembling, non-covalent supramolecular complexes of 3-methylxanthine (3-MX) in the gas phase. 3-MX forms stable tetrameric complexes around an alkali metal (Na+, K+) or ammonium cation, to generate a diverse array of complexes with single and multiple charge states. Complexes of (3-MX)n observed include: singly charged complexes where n = 1-8 and 12 and doubly charged complexes where n = 12-24. The most intense ions are those associated with multiples of tetrameric units, where n = 4, 8, 12, 16, 20, 24. The effect of dispersion field on the ion intensities of the self-assembled complexes indicates some fragmentation of higher order complexes within the FAIMS electrodes (in-FAIMS dissociation), as well as in-source collision induced dissociation within the mass spectrometer. FAIMS-MS enables charge state separation of supramolecular complexes of 3-MX and is shown to be capable of separating species with overlapping mass-to-charge ratios. FAIMS selected transmission also results in an improvement in signal-to-noise ratio for low intensity complexes and enables the visualisation of species undetectable without FAIMS.
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spelling rr-article-93913552016-01-01T00:00:00Z Analysis of supramolecular complexes of 3-methylxanthine with field asymmetric waveform ion mobility spectrometry combined with mass spectrometry Kayleigh Arthur (1258242) Gary Eiceman (1259283) Jim Reynolds (1248186) Colin Creaser (1249998) Other chemical sciences not elsewhere classified Field asymmetric waveform ion mobility spectrometry FAIMS Mass spectrometry Self-assembling complexes Dissociation In-source CID Charge state separation Chemical Sciences not elsewhere classified Miniaturised field asymmetric waveform ion mobility spectrometry (FAIMS), combined with mass spectrometry (MS), has been applied to the study of self-assembling, non-covalent supramolecular complexes of 3-methylxanthine (3-MX) in the gas phase. 3-MX forms stable tetrameric complexes around an alkali metal (Na+, K+) or ammonium cation, to generate a diverse array of complexes with single and multiple charge states. Complexes of (3-MX)n observed include: singly charged complexes where n = 1-8 and 12 and doubly charged complexes where n = 12-24. The most intense ions are those associated with multiples of tetrameric units, where n = 4, 8, 12, 16, 20, 24. The effect of dispersion field on the ion intensities of the self-assembled complexes indicates some fragmentation of higher order complexes within the FAIMS electrodes (in-FAIMS dissociation), as well as in-source collision induced dissociation within the mass spectrometer. FAIMS-MS enables charge state separation of supramolecular complexes of 3-MX and is shown to be capable of separating species with overlapping mass-to-charge ratios. FAIMS selected transmission also results in an improvement in signal-to-noise ratio for low intensity complexes and enables the visualisation of species undetectable without FAIMS. 2016-01-01T00:00:00Z Text Journal contribution 2134/20582 https://figshare.com/articles/journal_contribution/Analysis_of_supramolecular_complexes_of_3-methylxanthine_with_field_asymmetric_waveform_ion_mobility_spectrometry_combined_with_mass_spectrometry/9391355 CC BY-NC-ND 4.0
spellingShingle Other chemical sciences not elsewhere classified
Field asymmetric waveform ion mobility spectrometry
FAIMS
Mass spectrometry
Self-assembling complexes
Dissociation
In-source CID
Charge state separation
Chemical Sciences not elsewhere classified
Kayleigh Arthur
Gary Eiceman
Jim Reynolds
Colin Creaser
Analysis of supramolecular complexes of 3-methylxanthine with field asymmetric waveform ion mobility spectrometry combined with mass spectrometry
title Analysis of supramolecular complexes of 3-methylxanthine with field asymmetric waveform ion mobility spectrometry combined with mass spectrometry
title_full Analysis of supramolecular complexes of 3-methylxanthine with field asymmetric waveform ion mobility spectrometry combined with mass spectrometry
title_fullStr Analysis of supramolecular complexes of 3-methylxanthine with field asymmetric waveform ion mobility spectrometry combined with mass spectrometry
title_full_unstemmed Analysis of supramolecular complexes of 3-methylxanthine with field asymmetric waveform ion mobility spectrometry combined with mass spectrometry
title_short Analysis of supramolecular complexes of 3-methylxanthine with field asymmetric waveform ion mobility spectrometry combined with mass spectrometry
title_sort analysis of supramolecular complexes of 3-methylxanthine with field asymmetric waveform ion mobility spectrometry combined with mass spectrometry
topic Other chemical sciences not elsewhere classified
Field asymmetric waveform ion mobility spectrometry
FAIMS
Mass spectrometry
Self-assembling complexes
Dissociation
In-source CID
Charge state separation
Chemical Sciences not elsewhere classified
url https://hdl.handle.net/2134/20582