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Related Concept Videos

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Mass spectrometry is a powerful characterization technique that can identify and separate a wide variety of compounds ranging from chemical to biological entities, based on their mass-to-charge ratio (m/z). The instruments that allow this detection, known as mass spectrometers, have three components: an ion source, a mass analyzer, and a detector. These spectrometers differ based on the nature of their ion source and analyzers.
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Mass shift in mass spectrometry imaging: comprehensive analysis and practical corrective workflow.

Andréa McCann1, Sophie Rappe1, Raphaël La Rocca1

  • 1Mass Spectrometry Laboratory, MolSys Research Unit, Department of Chemistry, University of Liège, Allée du Six Août, 11 - Quartier Agora, 4000, Liège, Belgium.

Analytical and Bioanalytical Chemistry
|January 31, 2021
PubMed
Summary

Mass shift in MALDI mass spectrometry imaging (MSI) degrades data quality. This study analyzes mass shift causes and provides a workflow to improve MSI data accuracy and compound localization.

Keywords:
Data recalibrationFT-ICRMass accuracyMass shiftMass spectrometry imagingTime of flight

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Area of Science:

  • Analytical Chemistry
  • Biophysics
  • Spectroscopy

Background:

  • Matrix-assisted laser desorption/ionization mass spectrometry imaging (MALDI-MSI) maps compounds using m/z values.
  • Mass shifts between pixels in MALDI-MSI reduce spectral resolution, mass accuracy, and localization confidence.

Purpose of the Study:

  • To critically analyze sources of mass shift in MALDI-MSI.
  • To develop and recommend strategies for mitigating mass shift and enhancing image quality.

Main Methods:

  • Mapping 2D distributions of mass shift to visualize its impact and origins.
  • Analyzing sample preparation, data acquisition settings, and post-processing techniques.
  • Developing a comprehensive workflow for mass shift mitigation.

Main Results:

  • Identified sample properties and calibration methods as key sources of mass shift.
  • Demonstrated that adapting sample preparation, acquisition settings, and post-processing (m/z realignment/recalibration) significantly lowers mass shift.
  • Validated a recommended workflow on complex samples using MALDI-ToF and MALDI-FT-ICR instruments.

Conclusions:

  • Implementing optimized sample preparation, data acquisition, and post-processing is crucial for improving MALDI-MSI data quality.
  • The recommended workflow effectively reduces mass shift, leading to enhanced annotation confidence and accurate compound localization in complex biological samples.