From: MAW: the reproducible Metabolome Annotation Workflow for untargeted tandem mass spectrometry
Feature | Annotation | MSI-level |
---|---|---|
Precursor mass [m/z] | 287.06 | 5 |
Retention time [s] | 318.26 | 5 |
Polarity | negative | 5 |
Molecular formula | C27H30O15 | 4 |
Chemical class | Flavonoids (CHEMONTID:0,000,334) | 3 |
Candidate SMILES | c(c5)(O)cc(c(c51)C(C(O[C@H](O3)[C@@H]([C@H]([C@@H]([C@H]3CO[C@@H]([C@@H]4O)O[C@H]([C@@H]([C@H]4O)O)C)O)O)O) = C(c(c2)ccc(O)c2)O1) = O)O | 2 |
Sources | GNPS, HMDB, MassBank | 2 |