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Spatialized Metabolomic Annotation Combining MALDI Imaging and Molecular Networks.

Marceau Levasseur1, Edith Nicol2, Nicolas Elie1

  • 1Université Paris-Saclay, CNRS, Institut de Chimie des Substances Naturelles, UPR 2301, 91198 Gif-sur-Yvette, France.

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|December 22, 2023
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Summary

This study combines MALDI mass spectrometry imaging with molecular networks for enhanced chemical structure annotation in plant tissues. This novel approach improves the identification of molecular signals, opening new avenues for MALDI imaging analysis.

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Area of Science:

  • Chemical imaging
  • Mass spectrometry
  • Molecular analysis

Background:

  • MALDI mass spectrometry imaging (MSI) is crucial for chemical imaging, enabling signal localization on sample surfaces.
  • A key challenge in MALDI MSI is annotating signals to determine chemical structures.
  • Liquid chromatography-tandem mass spectrometry (LC-MS/MS) data benefits from chemoinformatics tools like molecular networks for annotation.

Purpose of the Study:

  • To integrate MALDI-FT-ICR imaging with molecular networks derived from MALDI-MS/MS data.
  • To improve the annotation of signals directly from plant tissue sections.
  • To establish new annotation pipelines for MALDI imaging.

Main Methods:

  • MALDI-FT-ICR imaging was performed on plant tissue sections.
  • MALDI-MS/MS data were acquired directly from the same tissue sections.
  • Molecular networks were constructed using the MALDI-MS/MS data.
  • Combined data were used for signal annotation.

Main Results:

  • Demonstrated successful integration of MALDI-FT-ICR imaging and molecular networks.
  • Achieved significant improvements in the annotation of ionic signals from plant tissues.
  • Validated the utility of the combined approach for structural identification.

Conclusions:

  • The integration of MALDI-FT-ICR imaging with molecular networks represents a significant advancement.
  • This approach enhances the ability to convert m/z values into probable chemical structures.
  • Paved the way for novel annotation pipelines in MALDI imaging analysis.