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

  • J Am Soc Mass Spectrom. 2026 Jan 7;37(1):8-12. doi: 10.1021/jasms.5c00329.
Yatendra Singh  1 ,  Paul C Norris  2 ,  Sibesh Maharjan  1 ,  Jase Gillespie  1 ,  Caroline Ferrante  1 ,  Zeyad Ibrahim  1 ,  Sixue Chen  1
Affiliations
  • 1. Department of Biology, University of Mississippi, Oxford, Mississippi 38677, United States.
  • 2. SCIEX, 250 Forest St, Marlborough, Massachusetts 01752, United States.
PMID: 41324382 DOI: 10.1021/jasms.5c00329
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.

Keywords
collision-induced dissociation; electron-activated dissociation; mass spectrometry; metabolomics; phytochemicals.