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Fig. 2 | Journal of Cheminformatics

Fig. 2

From: Automated fragment formula annotation for electron ionisation, high resolution mass spectrometry: application to atmospheric measurements of halocarbons

Fig. 2

Directed acyclic pseudo-fragmentation graph obtained in Step 2, with all the candidate fragments (nodes) from the knapsack algorithm for \(\text {CCl}_{{4}}\). One observes 23 nodes, with 2 leaves (or smallest possible fragments, in light green), 15 maximal fragments (in orange and yellow), of which 4 have no children and are therefore singletons (in yellow). The latter are eliminated in Step 2

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