MAD HATTER Correctly Annotates 98% of Small Molecule Tandem Mass Spectra Searching in PubChem

Metabolites provide a direct functional signature of cellular state. Untargeted metabolomics usually relies on mass spectrometry, a technology capable of detecting thousands of compounds in a biological sample. Metabolite annotation is executed using tandem mass spectrometry. Spectral library search...

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Detalles Bibliográficos
Autores principales: Hoffmann, Martin A., Kretschmer, Fleming, Ludwig, Marcus, Böcker, Sebastian
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2023
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10053663/
https://www.ncbi.nlm.nih.gov/pubmed/36984753
http://dx.doi.org/10.3390/metabo13030314

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10053663/
https://www.ncbi.nlm.nih.gov/pubmed/36984753
http://dx.doi.org/10.3390/metabo13030314

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