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MultiMS2: A curated multi-modal, multi-energy spectral library for metabolomics
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DOI：10.1093/gigascience/giag069.png)
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Abstract
En 中文
Spectral libraries are essential for mass spectrometry-based metabolomics, enabling accurate metabolite annotation. Collision-induced dissociation (CID) dominates existing public libraries, but is rarely sufficient for structural elucidation. Electron-activated dissociation (EAD) provides complementary, radical-driven fragmentation, but remains sparsely represented. The lack of datasets spanning multiple dissociation mechanisms, energies, and ionization modes limits both analytical workflows and the development of robust machine learning models.