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Graph-based machine learning interprets and predicts diagnostic isomer-selective ion–molecule reactions in tandem mass spectrometry
Diagnostic ion–molecule reactions employed in tandem mass spectrometry experiments can frequently be used to differentiate between isomeric compounds unlike the popular collision-activated dissociation methodology. Selected neutral reagents, such as 2-methoxypropene (MOP), are introduced into an ion...
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| Publicado en: | Chem Sci |
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| Autores principales: | , , , , , , , |
| Formato: | Artigo |
| Lenguaje: | Inglês |
| Publicado: |
The Royal Society of Chemistry
2020
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| Materias: | |
| Acceso en línea: | https://ncbi.nlm.nih.gov/pmc/articles/PMC8162943/ https://ncbi.nlm.nih.gov/pubmed/34094414 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1039/d0sc02530e |
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