UC2 search: using unique connectivity of uncharged compounds for metabolite annotation by database searching in mass spectrometry-based metabolomics

SUMMARY: For metabolite annotation in metabolomics, variations in the registered states of compounds (charged molecules and multiple components, such as salts) and their redundancy among compound databases could be the cause of misannotations and hamper immediate recognition of the uniqueness of met...

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Detalles Bibliográficos
Autores principales: Sakurai, Nozomu, Narise, Takafumi, Sim, Joon-Soo, Lee, Chang-Muk, Ikeda, Chiaki, Akimoto, Nayumi, Kanaya, Shigehiko
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Oxford University Press 2018
Materias:
Applications Notes
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5860614/
https://www.ncbi.nlm.nih.gov/pubmed/29040459
http://dx.doi.org/10.1093/bioinformatics/btx649

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5860614/
https://www.ncbi.nlm.nih.gov/pubmed/29040459
http://dx.doi.org/10.1093/bioinformatics/btx649

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