MOESM5 of MetFrag relaunched: incorporating strategies beyond in silico fragmentation
Christoph Ruttkies
Emma Schymanski
Sebastian Wolf
Juliane Hollender
Steffen Neumann
10.6084/m9.figshare.c.3698569_D3.v1
https://springernature.figshare.com/articles/figure/MOESM5_of_MetFrag_relaunched_incorporating_strategies_beyond_in_silico_fragmentation/4675117
Additional file 5. Number of patents and PubMed references shown as CombinedReferences retrieved from PubChem for the Orbitrap XL dataset This figure shows the distribution of the number of references and patents for all candidates (marked by black dots) retrieved from PubChem for the 359 (unqiue) correct candidates (marked with green line) and the additional (wrong) candidates retrieved for each query. The queries are sorted by the number of CombinedReferences for the correct candidate, respectively. The intensity of the black dots indicate the number of candidates which overlap at that position.
2016-01-29 05:00:00
Compound identification
In silico fragmentation
High resolution mass spectrometry
Metabolomics
Structure elucidation