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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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Dades bibliogràfiques
Publicat a:Bioinformatics
Autors principals: Sakurai, Nozomu, Narise, Takafumi, Sim, Joon-Soo, Lee, Chang-Muk, Ikeda, Chiaki, Akimoto, Nayumi, Kanaya, Shigehiko
Format: Artigo
Idioma:Inglês
Publicat: Oxford University Press 2018
Matèries:
Accés en línia: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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