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. Author manuscript; available in PMC: 2019 Mar 21.
Published in final edited form as: Anal Chem. 2016 Aug 31;88(18):9037–9046. doi: 10.1021/acs.analchem.6b01702

Figure 2.

Figure 2

(A) Output of mz.unity represented as a graph structure. Edges represent peak relationships. (B) The modification relating the peaks is noted as text on each edge..Nodes represent detected m/z peaks. (C) The identity of each is noted with gray text by each node. Nodes are colored by polarity: positive (green) (D) and negative (red) Edges are colored by relationship type: charge carrier (yellow), cross-polarity (gray), (E) self-mer (purple), isotopic (green) and heterometer (red) (B) The graph structure in panel A superimposed on (F) the mass spectrum of the relevant peaks. Intensity in this graph is scaled as /0.3 so that the small peaks are visible.