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Molecular networking (MN) visualization of families Pos-04, Pos-12, Neg-01, and Neg-11.

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posted on 2020-07-07, 17:30 authored by Yang Bai, Qiang Jia, Weiwei Su, Zenghao Yan, Wenhui Situ, Xiang He, Wei Peng, Hongliang Yao

Each node is represented as a compound’s MS/MS spectrum because all retention times of nodes are different. Blue nodes are represented as spectra of identified constituents, which include noted compounds’ names, and grey nodes are represented as spectra of their unknown analogues. Each coloured wedge of a node pie is the proportion of the spectral counts derived from each respective season (red: summer, blue: autumn, yellow: winner). Each edge between nodes is represented as a spectrum-to-spectrum similarity cosine score above 0.7.

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