Logical MS/MS scans: a new set of operations for tandem mass spectrometry

Snyder, Dalton T.; Szalwinski, Lucas J.; Wells, Justin; Cooks, R. Graham

doi:10.1039/c8an01661e

Cited by 12 publications

(15 citation statements)

References 67 publications

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“…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 ). Non-uniform sampling acquisition has been shown to increase resolving power and shorten experiment durations (Bray et al 2017 ).…”

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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“… 21 Logical operations can be performed by combining scans, in particular, the AND/OR operation can be performed by simultaneously performing two scans. 22 These simultaneous scans can be tailored for certain analytes, and in this study, we show how the combinations of scans, specifically (i) two precursor scans and (ii) a precursor and a neutral loss scan can be tailored to prioritize quantitative precision or detection limits, respectively. The latter combination scan, because of its lower detection limit using benchtop instrumentation, was then implemented on a miniature mass spectrometer to demonstrate the feasibility of detection of such antibiotics on-site at concentrations of practical significance.…”

Section: Introductionmentioning

confidence: 93%

Novel Ion Trap Scan Modes to Develop Criteria for On-Site Detection of Sulfonamide Antibiotics

Szalwinski

Morato

et al. 2021

Anal. Chem.

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Advances in ambient ionization techniques have facilitated the direct analysis of complex mixtures without sample preparation. Significant attention has been given to innovating ionization methods so that multiple options are now available, allowing for ready selection of the best methods for particular analyte classes. These ambient techniques are commonly implemented on benchtop systems, but their potential application with miniature mass spectrometers for in situ measurements is even more powerful. These applications require that attention be paid to tailoring the mass spectrometric methodology for the on-site operation. In this study, combinations of scan modes are employed to efficiently determine what tandem mass spectrometry (MS/MS) operations are most useful for detecting sulfonamides using a miniature ion trap after ionization. First, mixtures of representative sulfonamide antibiotics were interrogated using a 2D MS/MS scan on a benchtop ion trap in order to determine which class-specific fragments (ionic or neutral) are shared between the sulfonamides and thus have diagnostic value. Then, three less-used combination scans were recorded: (i) a simultaneous precursor ion scan was used to detect both analytes and an internal standard in a single ion injection event to optimize quantitative performance; (ii) a simultaneous precursor/neutral loss scan was used to improve detection limits; and finally, (iii) the simultaneous precursor/neutral loss scan was implemented in a miniature mass spectrometer and representative sulfonamides were detected at concentrations as low as 100 ng/mL by nano-electrospray and 0.5 ng absolute by paper spray ionization, although improvements in the stability of the home-built instrumentation are needed to further optimize performance.

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Logical MS/MS scans: a new set of operations for tandem mass spectrometry

Abstract: Described herein are novel sets of multiplexed MS/MS scans – termed ‘logical scans’ – performed on a linear ion trap.

Cited by 12 publications

References 67 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

Novel Ion Trap Scan Modes to Develop Criteria for On-Site Detection of Sulfonamide Antibiotics

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