Deciphering complex metabolite mixtures by unsupervised and supervised substructure discovery and semi-automated annotation from MS/MS spectra

Rogers, Simon ; Ong, Cher Wei ; Wandy, Joe ; Ernst, Madeleine ; Ridder, Lars ; van der Hooft, Justin J. J

Faraday discussions, 2019-08, Vol.218, p.284-32 [Periódico revisado por pares]

England: Royal Society of Chemistry

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