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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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Detalhes bibliográficos
Publicado no:Bioinformatics
Main Authors: Sakurai, Nozomu, Narise, Takafumi, Sim, Joon-Soo, Lee, Chang-Muk, Ikeda, Chiaki, Akimoto, Nayumi, Kanaya, Shigehiko
Formato: Artigo
Idioma:Inglês
Publicado em: Oxford University Press 2018
Assuntos:
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC5860614/
https://ncbi.nlm.nih.gov/pubmed/29040459
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1093/bioinformatics/btx649
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