LDB_26_Orsellinic acid -- LDB_26_Orsellinic acid

Return to experiment 200421_LDB_NEG_07
Resolver: mzspec:MS2LDA:TASK-1282:accession:1707014

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_87 0.533 0.332 38 spectra, 18 molecules, 4 classes: 44.4% Depsides (Didepsides), 22.2% Cleavage Products of Depsides and Depsidones, 22.2% Depsides (Tridepsides), 11.1% Xanthones and bis-Xanthones
motif_51 0.363 0.053 29 spectra, 11 molecules, 4 classes: 72.7% Pulvinic Acid Derivatives, 9.1% Quinones, 9.1% Cleavage Products of Depsides and Depsidones, 9.1% Depsides (Tridepsides)
motif_99 0.103 0.168 12 spectra, 7 molecules, 3 classes: 71.4% Cleavage Products of Depsides and Depsidones, 14.3% Polyols Monosaccharides Carbohydrates, 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
fragment_167.0350 1000.0 motif_87 (1.000)
  • Cc1cc(O)cc(O)c1C(=O)O
loss_190.0250 1000.0 motif_51 (0.944)
motif_87 (0.056)
fragment_123.0450 483.0 motif_87 (0.532)
motif_99 (0.468)
fragment_79.0550 55.0 motif_87 (0.492)
motif_99 (0.508)
fragment_81.0350 30.0 motif_87 (0.480)
motif_99 (0.520)
fragment_91.9850 25.0 motif_51 (0.107)
motif_87 (0.893)
fragment_66.3650 10.0 motif_51 (0.189)
motif_87 (0.786)
motif_99 (0.025)
fragment_82.7050 9.0 motif_51 (0.203)
motif_87 (0.769)
motif_99 (0.027)
fragment_55.5850 8.0 motif_51 (0.219)
motif_87 (0.750)
motif_99 (0.031)