LDB_333_Dechlorodiploicin -- LDB_333_Dechlorodiploicin

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Resolver: mzspec:MS2LDA:TASK-1281:accession:1705961

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_52 0.735 0.479 7 spectra, 4 molecules, 4 classes: 25.0% Polyols Monosaccharides Carbohydrates, 25.0% Cleavage Products of Depsides and Depsidones, 25.0% Paraconic acids, 25.0% Depsidones
motif_79 0.265 0.730 49 spectra, 32 molecules, 7 classes: 50.0% Depsidones, 12.5% Quinones, 12.5% Pulvinic Acid Derivatives, 9.4% Dibenzofuranes, 6.2% Acids, 6.2% Cleavage Products of Depsides and Depsidones, 3.1% Chromanes and Chromones

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_32.0250 1000.0 motif_79 (1.000)
fragment_388.9750 1000.0 motif_52 (1.000)
  • COc1cc2c(c(C)c1Cl)Oc1c(Cl)c(O)c(Cl)c(C)c1C(=O)O2
fragment_176.9850 326.0 motif_52 (1.000)
  • Cc1ccc(Cl)c(O)c1Cl
fragment_169.0050 316.0 motif_52 (1.000)
  • COc1ccc(O)c(C)c1Cl
fragment_297.0050 207.0 motif_52 (1.000)
  • Ccc1COc2cc(OC)c(Cl)c(C)c2Oc1cCl
loss_123.9950 207.0 motif_79 (0.559)
motif_52 (0.441)
fragment_325.0050 201.0 motif_52 (1.000)
  • Cc1cccc2OC(=O)c3c(C)c(Cl)c(O)c(Cl)c3Oc12
loss_95.9950 201.0 motif_79 (0.505)
motif_52 (0.495)
fragment_204.9850 165.0 motif_52 (1.000)
  • Cc1c(C=O)cc(Cl)c(O)c1Cl
fragment_352.9950 132.0 motif_52 (1.000)
  • COc1cc(C)c2Oc3c(Cl)c(O)c(Cl)c(C)c3C(=O)Oc2c1
loss_68.0050 132.0 motif_79 (0.289)
motif_52 (0.711)
loss_158.9650 111.0 motif_52 (1.000)
fragment_262.0350 111.0 motif_52 (1.000)
fragment_233.0350 83.0 motif_52 (1.000)
loss_187.9650 83.0 motif_52 (1.000)
fragment_185.0050 77.0 motif_52 (1.000)
  • COc1cc(O)c(O)c(C)c1Cl
loss_159.9750 66.0 motif_52 (1.000)
fragment_261.0350 66.0 motif_52 (1.000)
loss_126.0050 60.0 motif_52 (0.999)
fragment_294.9950 60.0 motif_52 (1.000)
  • Cc1c(Cl)cc(Cl)c2Oc3ccccc3OC(=O)c12
fragment_170.0150 59.0 motif_79 (0.331)
motif_52 (0.669)
  • COc1ccc(O)c(C)c1Cl
fragment_91.9650 37.0 motif_79 (0.154)
motif_52 (0.846)
fragment_142.0150 35.0 motif_52 (1.000)
  • Cc1cccc(O)c1Cl
fragment_113.0150 30.0 motif_52 (1.000)
fragment_75.8250 20.0 motif_52 (0.999)
fragment_68.3150 19.0 motif_52 (0.999)
fragment_56.0450 16.0 motif_52 (0.999)
fragment_395.9450 6.0 motif_52 (0.996)
loss_25.0550 6.0 motif_52 (0.996)