LDB_106_Virensic acid -- LDB_106_Virensic acid

Return to experiment 200421_LDB_POS_04
Resolver: mzspec:MS2LDA:TASK-1281:accession:1706273

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_0 0.366 0.108 4 spectra, 4 molecules, 3 classes: 50.0% Paraconic acids, 25.0% Xanthones and bis-Xanthones, 25.0% Depsidones
motif_17 0.345 0.166 15 spectra, 12 molecules, 5 classes: 33.3% Terpenoids : Triterpenes, 33.3% Depsidones, 16.7% Quinones, 8.3% Diphenylethers, 8.3% Pulvinic Acid Derivatives
motif_79 0.084 0.740 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_16 0.079 0.114 16 spectra, 9 molecules, 4 classes: 55.6% Depsidones, 22.2% Quinones, 11.1% Acids, 11.1% Paraconic acids
motif_70 0.051 0.277 17 spectra, 12 molecules, 4 classes: 50.0% Depsidones, 16.7% Xanthones and bis-Xanthones, 16.7% Quinones, 16.7% Pulvinic Acid Derivatives

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_285.0450 1000.0 motif_17 (1.000)
  • Cc1cc(O)c(C=O)c2Oc3ccc(O)cc3OC(=O)c12
loss_106.0650 1000.0 motif_0 (1.000)
fragment_359.0750 327.0 motif_0 (0.999)
  • Cc1cc(O)c(C=O)c2c1C(=O)Oc1c(C)c(O)c(C(=O)O)c(C)c1O2
loss_32.0250 327.0 motif_79 (1.000)
fragment_341.0650 262.0 motif_16 (0.994)
  • Cc1cc(C(=O)O)c(C)c2Oc3c(C=O)c(O)cc(C)c3C(=O)Oc12
loss_50.0350 262.0 motif_17 (0.734)
motif_79 (0.266)
fragment_299.0550 219.0 motif_73 (1.000)
  • Cc1cc(O)cc2OC(=O)c3c(C)cc(O)c(C=O)c3Oc12
loss_92.0450 219.0 motif_70 (1.000)
loss_36.0250 145.0 motif_53 (0.025)
motif_0 (0.975)
fragment_355.0850 145.0 motif_17 (0.999)
fragment_373.0950 128.0 motif_17 (0.992)
loss_18.0150 128.0 motif_53 (1.000)
fragment_83.0150 122.0 motif_16 (0.582)
motif_0 (0.414)
  • cc(O)cC=O
loss_160.0350 58.0 motif_0 (0.992)
fragment_231.0650 58.0 motif_17 (0.998)
  • Ccc1cOc2c(C=O)ccc(C)c2C(=O)O1
loss_88.0550 52.0 motif_0 (0.995)
fragment_303.0550 52.0 motif_17 (1.000)
  • Cc1cc(O)cc2Oc3cc(C(=O)O)c(O)cc3OC(=O)c12
fragment_257.0450 29.0 motif_17 (1.000)
  • cc(C)c1cOc2c(C=O)c(O)cc(C)c2C(=O)O1
loss_134.0550 29.0 motif_0 (0.990)
loss_190.0450 27.0 motif_0 (0.990)
fragment_201.0550 27.0 motif_17 (0.013)
motif_16 (0.896)
motif_0 (0.089)
  • CccOc1c(C=O)ccc(C)c1C=O
loss_124.0350 26.0 motif_17 (0.995)
fragment_267.0650 26.0 motif_0 (0.989)
fragment_243.0650 21.0 motif_16 (0.765)
motif_73 (0.231)
  • cc(C)c1cOc2c(C)cc(O)c(C)c2OC1=O
loss_148.0350 21.0 motif_70 (0.979)
motif_73 (0.020)
fragment_91.9750 11.0 motif_17 (0.019)
motif_73 (0.203)
motif_0 (0.773)
fragment_131.0450 5.0 motif_17 (0.043)
motif_0 (0.945)
  • Cc1ccc(C)c(C=O)c1
fragment_53.6050 4.0 motif_17 (0.051)
motif_0 (0.934)
fragment_149.0250 4.0 motif_17 (0.051)
motif_0 (0.934)
  • Cc1cc(O)c(C=O)c(O)c1
fragment_57.0650 1.0 motif_17 (0.157)
motif_16 (0.016)
motif_73 (0.018)
motif_0 (0.789)
motif_79 (0.010)