LDB_343_Leprapinic acid methyl ether -- LDB_343_Leprapinic acid methyl ether

Return to experiment 200421_LDB_POS_04
Resolver: mzspec:MS2LDA:TASK-1281:accession:1706081

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_27 0.879 0.546 9 spectra, 3 molecules, 3 classes: 33.3% Terpenoids : Diterpenes, 33.3% Xanthones and bis-Xanthones, 33.3% Pulvinic Acid Derivatives
motif_79 0.063 0.717 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
motif_21 0.058 0.518 35 spectra, 23 molecules, 8 classes: 47.8% Depsidones, 13.0% Terpenoids : Triterpenes, 13.0% Pulvinic Acid Derivatives, 8.7% Xanthones and bis-Xanthones, 4.3% Naphthopyranes, 4.3% Chromanes and Chromones, 4.3% Depsides (Didepsides), 4.3% Quinones

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_251.1050 1000.0 motif_27 (1.000)
loss_116.0150 1000.0 motif_27 (1.000)
loss_88.0150 446.0 motif_27 (0.992)
  • CO.COC=O
fragment_279.1050 446.0 motif_27 (1.000)
  • COc1ccccc1C=C1C=C(C(=O)O1)c1ccccc1
loss_32.0250 351.0 motif_79 (1.000)
  • CO
fragment_335.0950 351.0 motif_27 (1.000)
  • COC(=O)C(=C1C=C(C(=O)O1)c1ccccc1)c1ccccc1OC
loss_178.0650 340.0 motif_27 (1.000)
  • COC=C(C(=O)O)c1ccccc1
fragment_189.0550 340.0 motif_27 (1.000)
  • C=C(C(=O)OC)c1ccccc1OC
loss_60.0250 316.0 motif_21 (1.000)
  • COC=O
fragment_307.0950 316.0 motif_27 (1.000)
  • COC1C(=Cc2ccccc2OC)OC(=O)C=1c1ccccc1
fragment_161.0550 270.0 motif_27 (1.000)
  • COC=C(C=O)c1ccccc1
fragment_115.0550 106.0 motif_27 (1.000)
fragment_145.0250 41.0 motif_27 (1.000)
  • C=C(C(=O)O)c1ccccc1
fragment_133.0650 34.0 motif_27 (0.992)
  • COC=Cc1ccccc1
fragment_105.0350 32.0 motif_27 (1.000)
  • Cc1ccccc1O
fragment_105.0750 25.0 motif_27 (1.000)
  • C=Cc1ccccc1
fragment_91.0550 24.0 motif_27 (0.999)
  • Cc1ccccc1
fragment_208.0850 16.0 motif_27 (1.000)
loss_159.0250 16.0 motif_27 (1.000)
fragment_275.0650 14.0 motif_27 (0.999)
  • COc1ccccc1C=C1C=C(C(=O)O1)c1ccccc1
fragment_236.0850 14.0 motif_27 (0.999)
loss_131.0350 14.0 motif_27 (0.998)
loss_92.0450 14.0 motif_27 (0.999)
  • CO.COC=O
fragment_219.0750 13.0 motif_27 (0.999)
loss_148.0350 13.0 motif_27 (1.000)