Identifying epimetabolites by integrating metabolome databases with mass spectrometry cheminformatics

Epimetabolites distinct from canonical metabolisms are identified by integrating three cheminformatics tools: BinVestigate, querying the BinBase GC-MS metabolome database to match unknowns with biological metadata across over 110,000 samples; MS-DIAL 2.0, a universal software for chromatographic dec...

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Foilsithe in:Nat Methods
Main Authors: Lai, Zijuan, Tsugawa, Hiroshi, Wohlgemuth, Gert, Mehta, Sajjan, Mueller, Matthew, Zheng, Yuxuan, Ogiwara, Atsushi, Meissen, John, Showalter, Megan, Takeuchi, Kohei, Kind, Tobias, Beal, Peter, Arita, Masanori, Fiehn, Oliver
Formáid: Artigo
Teanga:Inglês
Foilsithe: 2017
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Article
Rochtain Ar Líne:https://ncbi.nlm.nih.gov/pmc/articles/PMC6358022/
https://ncbi.nlm.nih.gov/pubmed/29176591
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1038/nmeth.4512
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