LDB_794_5-Chlorodivaricatinic acid -- LDB_794_5-Chlorodivaricatinic acid

Return to experiment 200421_LDB_NEG_07
Resolver: mzspec:MS2LDA:TASK-1282:accession:1707227

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_99 0.911 0.145 12 spectra, 7 molecules, 3 classes: 71.4% Cleavage Products of Depsides and Depsidones, 14.3% Polyols Monosaccharides Carbohydrates, 14.3% Depsidones
motif_19 0.056 0.166 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_58.9450 1000.0 motif_99 (1.000)
fragment_184.0950 1000.0 motif_99 (1.000)
loss_87.0450 633.0 motif_99 (0.950)
motif_19 (0.050)
  • CCC.O=CO
fragment_155.9950 633.0 motif_99 (0.939)
motif_19 (0.061)
  • COc1cc(O)ccc1Cl
fragment_199.0550 128.0 motif_19 (0.999)
fragment_185.0350 128.0 motif_99 (1.000)
loss_43.9850 128.0 motif_86 (1.000)
loss_58.0050 128.0 motif_99 (1.000)
loss_86.0450 56.0 motif_99 (1.000)
  • C.C.Cl.O
fragment_156.9950 56.0 motif_99 (1.000)
  • CCc1cc(O)cc(O)c1C=O
fragment_186.0250 23.0 motif_99 (1.000)
loss_57.0150 23.0 motif_99 (0.015)
motif_19 (0.985)