Mass Spec Roundup: Fragment Ions and Fossil Fragments
This week’s stories span AI-assisted metabolite annotation, spatial drug-target engagement, Denisovan proteomics, and machine-learning elemental detection.
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1
AIMe expands MS2-based structural annotation to over 100 million small organic molecules, aiding metabolite identification.
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2
DeepMS2Reasoner outperformed other models, achieving an average cosine similarity of 0.83 on the NIST dataset.
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3
AIMe provided putative annotations for 2.69 million GNPS spectral clusters, significantly increasing previously annotated spectra.
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4
An isotopically resolved MALDI FT-ICR imaging method measured covalent drug target engagement, showing 78% engagement in mouse brain sections.
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5
ZooMS and proteomics identified the first confirmed Denisovan radius, revealing unique postcranial anatomy compared to Neanderthals and modern humans.
