Two‐dimensional mass spectrometry in a linear ion trap, an <i>in silico</i> model

Agthoven, Maria A. van; O’Connor, Peter B.

doi:10.1002/rcm.7836

Cited by 20 publications

(23 citation statements)

References 62 publications

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“…As an analytical technique, 2D MS is still in development. Alternative pulse sequences using stored waveform ion radius modulation (SWIM) enable the development of 2D MS in mass analysers other than the FT-ICR MS (Ross et al 1993 , 2002 ; van Agthoven and O’Connor 2017 ). Techniques that approach 2D MS are being developed for quadrupolar ion traps (Snyder et al 2018 ).…”

Section: Resultsmentioning

confidence: 99%

Two-dimensional mass spectrometry: new perspectives for tandem mass spectrometry

et al. 2019

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Fourier transform ion cyclotron resonance mass analysers (FT-ICR MS) can offer the highest resolutions and mass accuracies in mass spectrometry. Mass spectra acquired in an FT-ICR MS can yield accurate elemental compositions of all compounds in a complex sample. Fragmentation caused by ion–neutral, ion–electron, or ion–photon interactions leads to more detailed structural information on compounds. The most often used method to correlate compounds and their fragment ions is to isolate the precursor ions from the sample before fragmentation. Two-dimensional mass spectrometry (2D MS) offers a method to correlate precursor and fragment ions without requiring precursor isolation. 2D MS therefore enables easy access to the fragmentation patterns of all compounds from complex samples. In this article, the principles of FT-ICR MS are reviewed and the 2D MS experiment is explained. Data processing for 2D MS is detailed, and the interpretation of 2D mass spectra is described.

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Section: Resultsmentioning

confidence: 99%

Two-dimensional mass spectrometry: new perspectives for tandem mass spectrometry

et al. 2019

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“…Automated peak-assignment algorithms are being developed for routine analysis [26]. A pulse sequence for 2D MS in a linear ion trap has been proposed, which expands the potential of 2D MS to mass analyzers beyond FT-ICR MS [27][28][29]. Nevertheless, the question of how to improve the signal-to-noise ratio and the resolving power of 2D mass spectra remains.…”

Section: Introductionmentioning

confidence: 99%

Phase relationships in two-dimensional mass spectrometry

Agthoven

Kilgour

Lynch

et al. 2019

J. Am. Soc. Mass Spectrom.

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Two-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.

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“…Two-dimensional mass spectrometry (2D MS) is a tandem mass spectrometry method that relies on manipulating ion motions to correlate precursor and fragment ion signals [ 1 , 2 , 3 ]. Various 2D MS methods have been developed for quadrupolar ion traps, linear ion traps, and Fourier transform ion cyclotron resonance mass spectrometry (FT-ICR MS) [ 4 , 5 , 6 , 7 , 8 ]. In addition to precursor-fragment correlations, two-dimensional partial correlation mass spectrometry (2D PC MS) has also been developed to explore correlations between complementary fragment ion signals [ 9 ].…”

Section: Introductionmentioning

confidence: 99%

Phase Correction for Absorption Mode Two-Dimensional Mass Spectrometry

2021

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Two-dimensional mass spectrometry (2D MS) is a tandem mass spectrometry method that relies on manipulating ion motions to correlate precursor and fragment ion signals. 2D mass spectra are obtained by performing a Fourier transform in both the precursor ion mass-to-charge ratio (m/z) dimension and the fragment ion m/z dimension. The phase of the ion signals evolves linearly in the precursor m/z dimension and quadratically in the fragment m/z dimension. This study demonstrates that phase-corrected absorption mode 2D mass spectrometry improves signal-to-noise ratios by a factor of 2 and resolving power by a factor of 2 in each dimension compared to magnitude mode. Furthermore, phase correction leads to an easier differentiation between ion signals and artefacts, and therefore easier data interpretation.

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Two‐dimensional mass spectrometry in a linear ion trap, an in silico model

Abstract: A 2D mass spectrum could be obtained using the results from the simulation. This in silico model shows the feasibility of 2D MS on a LIT. 2D MS in a LIT allows for tandem mass spectrometry without ion isolation. Copyright © 2017 John Wiley & Sons, Ltd.

Cited by 20 publications

References 62 publications

Two-dimensional mass spectrometry: new perspectives for tandem mass spectrometry

Two-dimensional mass spectrometry: new perspectives for tandem mass spectrometry

Phase relationships in two-dimensional mass spectrometry

Phase Correction for Absorption Mode Two-Dimensional Mass Spectrometry

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