LDB_497_Fallacinal -- LDB_497_Fallacinal

Return to experiment 200421_LDB_POS_04
Resolver: mzspec:MS2LDA:TASK-1281:accession:1706589

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_73 0.523 0.238 8 spectra, 4 molecules, 3 classes: 50.0% Quinones, 25.0% Xanthones and bis-Xanthones, 25.0% Depsides (Didepsides)
motif_79 0.346 0.719 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
fragment_299.0550 1000.0 motif_73 (1.000)
  • COc1cc(O)c2c(c1)C(=O)c1cc(C=O)cc(O)c1C2=O
loss_32.0250 1000.0 motif_79 (1.000)
fragment_271.0650 148.0 motif_73 (0.272)
motif_95 (0.728)
  • COc1cc(O)c2C(=O)c3c(O)cccc3C(=O)c2c1
loss_60.0250 148.0 motif_21 (1.000)
fragment_253.0550 91.0 motif_73 (1.000)
  • O=Cc1ccc2C(=O)c3c(O)cccc3C(=O)c2c1
loss_78.0350 91.0 motif_17 (0.999)
loss_134.0250 75.0 motif_17 (0.128)
motif_73 (0.871)
fragment_197.0650 75.0 motif_73 (0.999)
fragment_238.0250 45.0 motif_73 (0.892)
motif_95 (0.107)
  • O=C1c2cccc(O)c2C(=O)c2c(O)cccc21
loss_75.0450 45.0 motif_79 (0.600)
motif_73 (0.399)
loss_93.0550 45.0 motif_17 (0.293)
motif_79 (0.508)
motif_73 (0.198)
fragment_256.0350 45.0 motif_73 (0.767)
motif_95 (0.232)
fragment_228.0450 42.0 motif_73 (0.928)
motif_95 (0.071)
loss_103.0350 42.0 motif_73 (0.999)
fragment_183.0450 21.0 motif_73 (0.998)
fragment_169.0650 21.0 motif_73 (0.837)
motif_95 (0.161)
loss_148.0350 21.0 motif_73 (0.996)
loss_162.0150 21.0 motif_73 (0.998)
fragment_154.0450 13.0 motif_73 (0.545)
motif_95 (0.452)
loss_177.0350 13.0 motif_73 (0.996)
loss_190.0150 11.0 motif_73 (0.996)
fragment_141.0750 11.0 motif_73 (0.996)
fragment_121.0250 9.0 motif_73 (0.995)