Abstract
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.
Highlights
In mass spectrometry, samples are ionized, separated according to mass-to-charge (m/z) ratio by modifying their trajectories and their velocities in an electric or magnetic field, and detected
Samples are ionized, separated according to mass-to-charge (m/z) ratio by modifying their trajectories and their velocities in an electric or magnetic field, and detected. The measurement of their m/z ratio gives information about the elemental composition of the compounds in the samples: the more accurate the m/z ratio measurement, the more certainty there is about the elemental composition of the compounds
If the radius modulation has the same range as the fragmentation zone, the evolution of the ion abundance is close to a sinusoid, and the peaks in the spectrum after Fourier transformation (FT) according to t1 is at its maximum intensity and the harmonics are at low intensity
Summary
Samples are ionized, separated according to mass-to-charge (m/z) ratio by modifying their trajectories and their velocities in an electric or magnetic field, and detected (de Hoffmann and Stroobant 2007). If the radius modulation has the same range as the fragmentation zone (green line in Fig. 3d), the evolution of the ion abundance is close to a sinusoid, and the peaks in the spectrum after FT according to t1 is at its maximum intensity and the harmonics are at low intensity (van Agthoven et al 2014).
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