LDB_327_5-Chlorodivaricatinic acid -- LDB_327_5-Chlorodivaricatinic acid

Return to experiment 200421_LDB_NEG_07
Resolver: mzspec:MS2LDA:TASK-1282:accession:1707314

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 0.572 0.286 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
motif_12 0.217 0.634 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_86 0.211 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-

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
fragment_184.0250 1000.0 motif_19 (1.000)
  • CCCc1cc(O)cc(O)c1Cl
loss_59.0150 1000.0 motif_12 (0.894)
motif_19 (0.106)
  • C.O=CO
fragment_199.0550 870.0 motif_19 (1.000)
  • CCCc1cc(O)cc(OC)c1Cl
loss_43.9850 870.0 motif_86 (1.000)
loss_87.0450 174.0 motif_19 (0.991)
  • CCC.O=CO
fragment_155.9950 174.0 motif_19 (1.000)
  • COc1cc(O)ccc1Cl
loss_151.0650 13.0 motif_19 (0.993)
fragment_91.9850 13.0 motif_12 (0.058)
motif_19 (0.934)
fragment_67.0650 7.0 motif_12 (0.011)
motif_19 (0.987)
loss_175.9850 7.0 motif_12 (0.012)
motif_19 (0.986)