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CIeaD: A Complementary CID and EAD Mass Spectral Library for Phytochemicals
Yatendra Singh1, Paul C Norris2, Sibesh Maharjan1
1Department of Biology, University of Mississippi, Oxford, Mississippi 38677, United States.
Journal of the American Society for Mass Spectrometry
|December 1, 2025
Summary
A new spectral library, CIeaD (Collision-Induced and Electron-Activated Dissociation), enhances plant metabolite identification. It provides complementary CID and EAD spectra for 2,305 phytochemicals, improving accuracy in plant metabolomics research.
Area of Science:
- Plant Science
- Analytical Chemistry
- Biochemistry
Background:
- Metabolomics research is hindered by the vast structural diversity of plant metabolites.
- Existing spectral libraries have limited coverage, complicating metabolite identification.
- Accurate identification of phytochemicals is crucial for understanding plant biology and chemistry.
Purpose of the Study:
- To develop a comprehensive and open-access spectral library for plant metabolite identification.
- To address the limitations of existing libraries by including diverse fragmentation data.
- To facilitate accurate and efficient analysis in plant metabolomics.
Main Methods:
- Developed CIeaD (Collision-Induced and Electron-Activated Dissociation), a novel spectral library.
- Acquired high-resolution mass spectrometry data for 2,305 phytochemicals.
- Utilized a dual fragmentation mechanism (CID and EAD) in both positive and negative ion modes.
Main Results:
- The CIeaD library contains complementary CID and EAD spectra for 2,305 plant metabolites.
- Spectra cover major plant metabolite classes with high resolution.
- The library captures a wide range of diagnostic ions through dual fragmentation.
Conclusions:
- CIeaD significantly enhances plant metabolite identification capabilities.
- The open-access library supports broader research in plant metabolomics.
- This resource aids in the structural elucidation of diverse phytochemicals.
Keywords:
collision-induced dissociationelectron-activated dissociationmass spectrometrymetabolomicsphytochemicalsMore Related Videos
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