LDB_694_allo-Pertusaric acid -- LDB_694_allo-Pertusaric acid

Return to experiment 200421_LDB_POS_04
Resolver: mzspec:MS2LDA:TASK-1281:accession:1706398

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 0.681 0.077 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_13 0.319 0.591 34 spectra, 23 molecules, 5 classes: 52.2% Xanthones and bis-Xanthones, 34.8% Quinones, 4.3% Naphthopyranes, 4.3% Paraconic acids, 4.3% 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
fragment_365.2650 1000.0 motif_52 (1.000)
loss_43.0150 1000.0 motif_13 (1.000)
loss_59.0750 459.0 motif_52 (1.000)
fragment_349.1950 459.0 motif_52 (1.000)
loss_57.0750 55.0 motif_52 (0.999)
loss_87.0050 55.0 motif_52 (0.999)
fragment_351.1950 55.0 motif_52 (0.999)
fragment_321.2750 55.0 motif_52 (0.999)