LDB_329_Dechlorodiploicin -- LDB_329_Dechlorodiploicin

Return to experiment 200421_LDB_NEG_07
Resolver: mzspec:MS2LDA:TASK-1282:accession:1706889

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_39 0.733 0.188 12 spectra, 8 molecules, 4 classes: 50.0% Depsidones, 25.0% Acids, 12.5% Cleavage Products of Depsides and Depsidones, 12.5% Paraconic acids
motif_12 0.192 0.710 28 spectra, 17 molecules, 7 classes: 29.4% Cleavage Products of Depsides and Depsidones, 23.5% Depsidones, 11.8% Quinones, 11.8% Dibenzofuranes, 11.8% Paraconic acids, 5.9% Pulvinic Acid Derivatives, 5.9% Xanthones and bis-Xanthones
motif_88 0.075 0.094 10 spectra, 7 molecules, 4 classes: 28.6% Polyols Monosaccharides Carbohydrates, 28.6% Cleavage Products of Depsides and Depsidones, 28.6% Xanthones and bis-Xanthones, 14.3% 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_59.0150 1000.0 motif_12 (1.000)
  • C=O.CO
fragment_327.9450 1000.0 motif_39 (1.000)
  • Cc1cc(Oc2c(O)ccc(Cl)c2C)c(Cl)c(O)c1Cl
fragment_335.9650 401.0 motif_39 (1.000)
  • Cc1cc(O)cc2OC(=O)c3c(C)c(Cl)c(O)c(Cl)c3Oc12
loss_50.9950 401.0 motif_39 (1.000)
  • C.Cl
fragment_350.9850 375.0 motif_39 (1.000)
  • COc1cc(C)c2Oc3c(Cl)c(O)c(Cl)c(C)c3C(=O)Oc2c1
loss_35.9750 375.0 motif_88 (0.994)
  • Cl
loss_78.9950 196.0 motif_39 (1.000)
  • C.CO.Cl
fragment_307.9650 196.0 motif_39 (1.000)
  • Cc1c(Cl)c(O)c(Cl)c2Oc3ccccc3OC(=O)c12
loss_49.9950 165.0 motif_39 (1.000)
  • C.Cl
fragment_336.9650 165.0 motif_39 (1.000)
  • Cc1cc(O)cc2OC(=O)c3c(C)c(Cl)c(O)c(Cl)c3Oc12
fragment_292.9750 135.0 motif_39 (1.000)
  • Cc1c(Cl)cc(Cl)c2Oc3ccccc3OC(=O)c12
loss_93.9850 135.0 motif_39 (1.000)
  • C.CO.Cl.O
fragment_295.9650 133.0 motif_39 (1.000)
  • cc1OC(=O)c2c(C)c(Cl)c(O)c(Cl)c2Oc1cC
loss_90.9950 133.0 motif_39 (1.000)
  • COccCl
loss_114.9750 85.0 motif_39 (0.999)
fragment_271.9850 85.0 motif_39 (0.999)
loss_129.9550 80.0 motif_39 (0.999)
fragment_257.0050 80.0 motif_39 (1.000)
fragment_91.9850 43.0 motif_88 (0.471)
motif_39 (0.516)
motif_12 (0.013)
fragment_65.5150 37.0 motif_39 (0.998)