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The resolution of a mass spectrometer depends on the efficiency of separating ions with different ion masses. The mass of an atom is approximated to the sum of the masses of protons and neutrons inside, considering the masses of protons and neutrons as equal. However, the masses of the proton (1.6726 × 10−24 g) and neutron (1.6749 × 10−24 g) are not truly equal. There is a minor error in the expression of atomic masses relative to the simplest atom of hydrogen. For...
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The mass analyzer is a crucial component of the mass spectrometer. In the ionization chamber, the vaporized sample is bombarded with a high-energy electron beam to generate a radical cation and further fragment into neutral molecules, radicals, and cations. A series of negatively charged accelerator plates accelerate the cations into the mass analyzer. The mass analyzer separates ions according to their mass-to-charge (m/z) ratios and then directs them to the detector. The common types of mass...
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Algorithm for Selecting Organic Compounds to Verify the Resolution of Electron Ionization Mass Spectrometers.

Valentin G Tkachenko1, Sergey V Silkin1, Alexandr V Sakharov1

  • 1Moscow Institute of Physics and Technology, Dolgoprudnyi, Moscow Region 141701, Russia.

Mass Spectrometry (Tokyo, Japan)
|November 6, 2025
PubMed
Summary
This summary is machine-generated.

Ion coalescence challenges Fourier-transform mass spectrometer resolution assessment. A new method using organic compound pairs, identified by formula differences, improves resolution confirmation for electron ionization mass spectrometry.

Keywords:
electron ionizationhigh-resolution mass spectrometryinstrument characterizationresolution

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Area of Science:

  • Analytical Chemistry
  • Spectroscopy

Background:

  • Ion coalescence is a known phenomenon that complicates the accurate determination of effective resolution in Fourier-transform mass spectrometers.
  • Accurate resolution assessment is critical for high-resolution mass spectrometry (HRMS) applications, including gas analysis.

Purpose of the Study:

  • To propose and validate a novel method for confirming the resolution of electron ionization Fourier-transform mass spectrometers.
  • To compare the efficacy of the proposed method against traditional database searching for identifying suitable compound pairs.

Main Methods:

  • Utilized pairs of organic substances identified through automatically generated formula differences to confirm mass spectrometer resolution.
  • Compared the proposed method with searches in the National Institute of Standards and Technology (NIST) database for suitable organic compound pairs.
  • Experimentally evaluated the resolution of a gas analysis Fourier-transform mass spectrometer using selected organic compound mixtures.

Main Results:

  • The proposed method identified 166 suitable compound pairs, significantly more than the 88 pairs found using the NIST database search under specified conditions.
  • Successfully selected six pairs of organic compounds for resolution confirmation using molecular ion peaks.
  • Identified four pairs of compounds suitable for resolution confirmation via fragment ion peaks.

Conclusions:

  • The proposed method offers a more effective approach for identifying compound pairs to confirm Fourier-transform mass spectrometer resolution compared to standard database searches.
  • The developed method facilitates the selection of optimal compound pairs for both molecular and fragment ion analysis, enhancing the accuracy of resolution determination.
  • The experimental evaluation confirmed the utility of the proposed method for assessing the resolution of Fourier-transform mass spectrometers in gas analysis.