LDB_760_Chrysophanol -- LDB_760_Chrysophanol

Return to experiment 200421_LDB_NEG_07
Resolver: mzspec:MS2LDA:TASK-1282:accession:1707000

Associated Mass2Motifs

The following table lists all Mass2Motifs that explain features extracted from this fragmentation spectra -- at the threshold specified in the experiment option.

Motif Probability Overlap Score Annotation
motif_55 0.782 0.378 25 spectra, 14 molecules, 5 classes: 42.9% Quinones, 28.6% Cleavage Products of Depsides and Depsidones, 14.3% Depsides (Didepsides), 7.1% Depsones, 7.1% Dibenzofuranes
motif_80 0.218 0.193 16 spectra, 9 molecules, 3 classes: 55.6% Quinones, 22.2% Dibenzofuranes, 22.2% Depsidones

Fragmentation Spectrum Plot

The fragmentation spectrum of this molecule is plotted below, alongside associated Mass2Motifs. Features (fragments and losses) explained by the associated Mass2Motif are coloured in red, while the parent ion is coloured in blue.

Molecule Plot

Features

The following table lists all features extracted from this fragmentation spectra -- alongside Mass2Motifs that explain these features at the threshold specified in the experiment option. The column MAGMa Substructure Annotation shows substructures annotations from MAGMa. Hovering over each MAGMa substructure shows the plots of 10 random documents containing the substructure.

Name Intensity Mass2Motif (prob) MAGMa Substructure Annotation
loss_27.9950 1000.0 motif_55 (1.000)
  • C=O
fragment_225.0550 1000.0 motif_80 (0.938)
motif_55 (0.062)
  • Cc1cc(O)cc(c1)C(=O)c1cccc(O)c1
loss_139.9950 259.0 motif_55 (1.000)
fragment_113.0550 259.0 motif_55 (1.000)
fragment_116.9850 184.0 motif_55 (1.000)
loss_136.0650 184.0 motif_55 (1.000)
fragment_535.3550 175.0 motif_55 (1.000)
loss_28.9850 168.0 motif_55 (1.000)
fragment_224.0650 168.0 motif_55 (1.000)
loss_135.1350 145.0 motif_55 (1.000)
fragment_117.9150 145.0 motif_55 (1.000)
loss_142.0150 138.0 motif_55 (1.000)
fragment_111.0350 138.0 motif_55 (1.000)
fragment_181.0950 117.0 motif_55 (1.000)
loss_71.9550 117.0 motif_55 (1.000)
fragment_516.7950 115.0 motif_55 (1.000)