Coulomb broadening in Fourier transform ion cyclotron resonance mass spectrometry

Wang, Tao-Chin Lin; Marshall, Alan G.

doi:10.1016/0168-1176(86)87053-7

International Journal of Mass Spectrometry and Ion Processes

1986

DOI: 10.1016/0168-1176(86)87053-7

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Coulomb broadening in Fourier transform ion cyclotron resonance mass spectrometry

Tao-Chin Lin Wang

Alan G. Marshall

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Cited by 35 publications

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“…The number of ions trapped in an FTICR cell is typically limited to a few million to prevent distortion of orbiting packets of ions of different mass-to-charge ratios, with resultant mass spectral peak broadening, peak shifts, peak coalescence, , and ion cloud decoherence . The FTICR detection limit for singly charged ions of a given mass-to-charge ( m / z ) ratio is typically of order 50 .…”

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126 264 Assigned Chemical Formulas from an Atmospheric Pressure Photoionization 9.4 T Fourier Transform Positive Ion Cyclotron Resonance Mass Spectrum

2017

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Here, we present atmospheric pressure photoionization (APPI) Fourier transform ion cyclotron resonance (FTICR) mass analysis of a volcanic asphalt sample by acquiring data for 20 Da wide mass segments across a 1000 Da range, stitched into a single composite mass spectrum, and compare to a broad-band mass spectrum for the same sample. The segmented spectrum contained 170 000 peaks with magnitude greater than 6σ of the root-mean-square (rms) baseline noise, for which 126 264 unique elemental compositions could be assigned. Approximately two-thirds of those compositions represent monoisotopic (i.e., chemically different) species. That complexity is higher than that for any previously reported mass spectrum and almost 3 times greater than that obtained from the corresponding broad-band spectrum (59 015). For the segmented mass spectrum, the signal-to-noise ratio (S/N) was significantly higher throughout the spectrum, but especially at the lower and upper ends of mass distribution relative to that of the near-Gaussian broad-band mass distribution. Despite this S/N improvement, mass measurement accuracy was noticeably improved only at lower masses. The increased S/N did, however, yield a higher number of peaks and higher dynamic range throughout the entire segmented spectrum relative to the conventional broad-band spectrum. The additional assigned peaks include higher heteroatom species, as well as additional radicals and isotopologues. Segmenting can require a significant investment in data acquisition and analysis time over broad-band spectroscopy (∼1775% in this case) making it best suited for targeted analysis and/or when complete compositional coverage is important. Finally, the present segmented spectrum contains, to our knowledge, more assigned peaks than any spectrum of any kind (e.g., UV-vis, infrared, microwave, magnetic resonance, etc.).

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126 264 Assigned Chemical Formulas from an Atmospheric Pressure Photoionization 9.4 T Fourier Transform Positive Ion Cyclotron Resonance Mass Spectrum

2017

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Fourier transform mass spectrometry: Recent instrumental developments and applications

Laude

Johlman

Brown

et al. 1986

Mass Spectrometry Reviews

106

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Fourier transform ion cyclotron resonance (FT ICR) mass spectrometry: Theory and simulations

Nikolaev

Kostyukevich

Vladimirov

2014

Mass Spectrometry Reviews

162

125

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Fourier transform ion cyclotron resonance (FT ICR) mass spectrometer offers highest resolving power and mass accuracy among all types of mass spectrometers. Its unique analytical characteristics made FT ICR important tool for proteomics, metabolomics, petroleomics, and investigation of complex mixtures. Signal acquisition in FT ICR MS takes long time (up to minutes). During this time ion-ion interaction considerably affects ion motion and result in decreasing of the resolving power. Understanding of those effects required complicated theory and supercomputer simulations but culminated in the invention of the ion trap with dynamic harmonization which demonstrated the highest resolving power ever achieved. In this review we summarize latest achievements in theory and simulation of FT ICR mass spectrometers.

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Coulomb broadening in Fourier transform ion cyclotron resonance mass spectrometry

Cited by 35 publications

References 24 publications

126 264 Assigned Chemical Formulas from an Atmospheric Pressure Photoionization 9.4 T Fourier Transform Positive Ion Cyclotron Resonance Mass Spectrum

126 264 Assigned Chemical Formulas from an Atmospheric Pressure Photoionization 9.4 T Fourier Transform Positive Ion Cyclotron Resonance Mass Spectrum

Fourier transform mass spectrometry: Recent instrumental developments and applications

Fourier transform ion cyclotron resonance (FT ICR) mass spectrometry: Theory and simulations

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