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. Author manuscript; available in PMC: 2014 Feb 26.
Published in final edited form as: J Nat Prod. 2013 Sep 11;76(9):1686–1699. doi: 10.1021/np400413s

Figure 1. Three steps to implement molecular networking for dereplication.

Figure 1

Experimental MS/MS spectra of samples, which can be of a high degree of complexity and heterogeneity, and MS/MS spectra of known molecules, dubbed “seed” spectra, are analyzed on a 64-bit Linux system. The resultant network is visualized in Cytoscape where one node represents one consensus MS/MS spectrum and is labeled with the precursor mass, and an edge represents relatedness, where edge thickness indicates cosine similarity.