LDB_165_Emodin -- LDB_165_Emodin

Return to experiment 200421_LDB_NEG_07
Resolver: mzspec:MS2LDA:TASK-1282:accession:1707199

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_80 0.429 0.368 16 spectra, 9 molecules, 3 classes: 55.6% Quinones, 22.2% Dibenzofuranes, 22.2% Depsidones
motif_86 0.340 0.981 117 spectra, 64 molecules, 11 classes: 25.0% Paraconic acids, 23.4% Depsidones, 15.6% Cleavage Products of Depsides and Depsidones, 9.4% Quinones, 6.2% Dibenzofuranes, 6.2% Acids, 4.7% Pulvinic Acid Derivatives, 3.1% Diphenylethers, 3.1% Xanthones and bis-
motif_55 0.103 0.323 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_72 0.101 0.109 9 spectra, 5 molecules, 3 classes: 60.0% Quinones, 20.0% Dibenzofuranes, 20.0% 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_43.9850 1000.0 motif_86 (1.000)
  • C=O.O
fragment_225.0550 1000.0 motif_80 (0.996)
  • Cc1cc(O)cc(c1)C(=O)c1cccc(O)c1
fragment_241.0550 296.0 motif_72 (0.998)
  • Cc1cc(O)cc(c1)C(=O)c1cc(O)cc(O)c1
loss_27.9950 296.0 motif_55 (1.000)
  • C=O
fragment_227.0350 71.0 motif_97 (0.999)
  • O=C(c1cccc(O)c1)c1cc(O)cc(O)c1
loss_42.0050 71.0 motif_80 (0.998)
loss_71.9850 69.0 motif_80 (0.946)
motif_55 (0.054)
  • O.O.ccO
fragment_197.0650 69.0 motif_80 (0.998)
  • ccc1cC(=O)c2cc(C)ccc2C1=O
fragment_54.6950 51.0 motif_80 (0.997)
fragment_181.0650 10.0 motif_72 (0.065)
motif_80 (0.935)
loss_87.9750 10.0 motif_94 (0.999)