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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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Bibliografski detalji
Izdano u:Bioinformatics
Glavni autori: Sakurai, Nozomu, Narise, Takafumi, Sim, Joon-Soo, Lee, Chang-Muk, Ikeda, Chiaki, Akimoto, Nayumi, Kanaya, Shigehiko
Format: Artigo
Jezik:Inglês
Izdano: Oxford University Press 2018
Teme:
Online pristup: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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