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dc.contributor.authorvan Agthoven, Maria A.
dc.contributor.authorKilgour, David P. A.
dc.contributor.authorLynch, Alice M.
dc.contributor.authorBarrow, Mark P.
dc.contributor.authorMorgan, Tomos E.
dc.contributor.authorWootton, Christopher A.
dc.contributor.authorChiron, Lionel
dc.contributor.authorDelsuc, Marc-André
dc.contributor.authorO’Connor, Peter B.
dc.identifier.citationvan Agthoven , M A , Kilgour , D P A , Lynch , A M , Barrow , M P , Morgan , T E , Wootton , C A , Chiron , L , Delsuc , M-A & O’Connor , P B 2019 , ' Phase relationships in two-dimensional mass spectrometry ' , Journal of the American Society for Mass Spectrometry , vol. First Online .
dc.identifier.otherPURE: 262432589
dc.identifier.otherPURE UUID: 5c2f1212-1a34-4ceb-a29a-70733e2757c5
dc.identifier.otherRIS: urn:2827D2B4CFED3BFCBA887BD41852123F
dc.identifier.otherRIS: van Agthoven2019
dc.identifier.otherScopus: 85074585122
dc.identifier.otherWOS: 000490314700001
dc.descriptionThe authors would like to thank the Warwick Impact Fund Proof-of-Concept Award and the EPSRC Impact Acceleration Award, the Engineering and Physical Sciences Research Council for grant number EP/J000302/1.and grant number EP/N021630/1, the Biotechnology and Biological Sciences Research Council for grant number P021875/1 and grant number BB/R022399, the Royal Society for the Translation Award, the Horizon 2020, EU FTICR MS network, (project 731077), and the Innovation to Commercialization of University Research Programme.en
dc.description.abstractTwo-dimensional mass spectrometry (2D MS) is a data-independent tandem mass spectrometry technique in which precursor and fragment ion species can be correlated without the need for prior ion isolation. The behavior of phase in 2D Fourier transform mass spectrometry is investigated with respect to the calculation of phase-corrected absorption-mode 2D mass spectra. 2D MS datasets have a phase that is defined differently in each dimension. In both dimensions, the phase behavior of precursor and fragment ions is found to be different. The dependence of the phase for both precursor and fragment ion signals on various parameters (e.g., modulation frequency, shape of the fragmentation zone) is discussed. Experimental data confirms the theoretical calculations of the phase in each dimension. Understanding the phase relationships in a 2D mass spectrum is beneficial to the development of possible algorithms for phase correction, which may improve both the signal-to-noise ratio and the resolving power of peaks in 2D mass spectra.
dc.relation.ispartofJournal of the American Society for Mass Spectrometryen
dc.rightsCopyright © The Author(s) 2019. Open Access. This article is distributed under the terms of the Creative Commons Attribution 4.0 International License (, which permits unrestricted use, distribution, and reproduction in any medium, provided you give appropriate credit to the original author(s) and the source, provide a link to the Creative Commons license, and indicate if changes were made.en
dc.subjectFourier transformen
dc.subjectMass spectrometryen
dc.subjectTwo-dimensional mass spectrometryen
dc.subjectPhase correctionen
dc.subjectData processingen
dc.subjectQD Chemistryen
dc.titlePhase relationships in two-dimensional mass spectrometryen
dc.typeJournal articleen
dc.description.versionPublisher PDFen
dc.contributor.institutionUniversity of St Andrews.School of Computer Scienceen
dc.description.statusPeer revieweden

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