LDB_598_Gangaleoidin -- LDB_598_Gangaleoidin

Return to experiment 200421_LDB_NEG_07
Resolver: mzspec:MS2LDA:TASK-1282:accession:1706949

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_19 1.000 0.279 12 spectra, 5 molecules, 5 classes: 20.0% Benzyldepsides, 20.0% Quinones, 20.0% Cleavage Products of Depsides and Depsidones, 20.0% Acids, 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_35.9650 1000.0 motif_19 (1.000)
fragment_375.0350 1000.0 motif_19 (1.000)
loss_59.0150 929.0 motif_19 (1.000)
  • COC=O
fragment_351.9850 929.0 motif_19 (1.000)
  • COc1cc(C)c2Oc3c(Cl)c(O)c(Cl)c(C)c3C(=O)Oc2c1
fragment_293.9750 740.0 motif_19 (1.000)
loss_117.0250 740.0 motif_19 (1.000)
fragment_353.9850 722.0 motif_19 (1.000)
loss_57.0150 722.0 motif_19 (1.000)
loss_50.9950 625.0 motif_19 (1.000)
fragment_360.0050 625.0 motif_19 (1.000)
  • COc1cc2OC(=O)c3c(cc(O)c(Cl)c3C)Oc2c(C)c1C(=O)O
fragment_295.9750 544.0 motif_19 (1.000)
loss_115.0250 544.0 motif_19 (1.000)
fragment_308.0050 487.0 motif_19 (1.000)
  • COc1ccc(Oc2cc(C)c(Cl)c(O)c2Cl)c(C)c1
loss_102.9950 487.0 motif_19 (1.000)
fragment_194.0750 46.0 motif_19 (1.000)
fragment_112.9850 11.0 motif_19 (1.000)
fragment_812.5950 7.0 motif_19 (1.000)
fragment_663.2950 6.0 motif_19 (1.000)