CIeaD: A Complementary CID and EAD Mass Spectral Library for Phytochemicals

Plant metabolomics faces major challenges in metabolite identification due to the structural diversity of plant metabolites and limited coverage in existing spectral libraries. To address this, we developed CIeaD (Collision-Induced and Electron-Activated Dissociation), an open-access plant metabolite spectral library containing complementary CID and EAD spectra. The library includes curated high-resolution spectra for 2,305 phytochemicals across major metabolite classes, acquired in both positive and negative modes with a dual fragmentation mechanism to capture a wide range of diagnostic ions. CIeaD library is provided in multiple formats and can be accessed at https://www.moleculardetective.org/Links.html.

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Publication Details

Journal
Journal of the American Society for Mass Spectrometry
Published
2025-12-01
DOI
https://doi.org/10.1021/jasms.5c00329
Primary Topic
Metabolomics and Mass Spectrometry Studies
Type
article
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article

CIeaD: A Complementary CID and EAD Mass Spectral Library for Phytochemicals

Sirapa Maharjan, Yatendra Singh, Gilles Mithieux, Paul C. Norris et al.
Journal of the American Society for Mass Spectrometry
Metabolomics and Mass Spectrometry Studies
article

CIeaD: A Complementary CID and EAD Mass Spectral Library for Phytochemicals

Sirapa Maharjan, Yatendra Singh, Gilles Mithieux, Paul C. Norris, Sixue Chen, Zeyad M. A. Ibrahim, Caroline Ferrante
article en

Abstract

Plant metabolomics faces major challenges in metabolite identification due to the structural diversity of plant metabolites and limited coverage in existing spectral libraries. To address this, we developed CIeaD (Collision-Induced and Electron-Activated Dissociation), an open-access plant metabolite spectral library containing complementary CID and EAD spectra. The library includes curated high-resolution spectra for 2,305 phytochemicals across major metabolite classes, acquired in both positive and negative modes with a dual fragmentation mechanism to capture a wide range of diagnostic ions. CIeaD library is provided in multiple formats and can be accessed at https://www.moleculardetective.org/Links.html.

Journal of the American Society for Mass SpectrometryVol. 37(1)
Boston Scientific (United States) (US), University of Mississippi (US)
Openalex Percentile: Top 66%
Metabolomics and Mass Spectrometry Studies
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CIeaD: A Complementary CID and EAD Mass Spectral Library for Phytochemicals — Sirapa Maharjan, Yatendra Singh, et al. · Journal of the American Society for Mass Spectrometry (2025) | TGRS Research Map | TGRS