LDB_171_Dihydropertusaric -- LDB_171_Dihydropertusaric

Return to experiment 200421_LDB_POS_04
Resolver: mzspec:MS2LDA:TASK-1281:accession:1706417

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_49 0.273 0.628 38 spectra, 16 molecules, 3 classes: 75.0% Paraconic acids, 18.8% Acids, 6.2% Terpenoids : Triterpenes
motif_90 0.195 0.215 11 spectra, 9 molecules, 6 classes: 44.4% Paraconic acids, 11.1% Xanthones and bis-Xanthones, 11.1% Depsides (Didepsides), 11.1% Quinones, 11.1% Pulvinic Acid Derivatives, 11.1% Depsidones
motif_92 0.188 0.491 15 spectra, 6 molecules, 3 classes: 66.7% Paraconic acids, 16.7% Acids, 16.7% Pulvinic Acid Derivatives
motif_55 0.144 0.557 22 spectra, 22 molecules, 7 classes: 54.5% Paraconic acids, 22.7% Depsidones, 4.5% Diphenylethers, 4.5% Polyols Monosaccharides Carbohydrates, 4.5% Dibenzofuranes, 4.5% Aliphatic and Cycloaliphatic Compounds, 4.5% Quinones
motif_31 0.116 0.427 32 spectra, 27 molecules, 9 classes: 29.6% Paraconic acids, 22.2% Pulvinic Acid Derivatives, 18.5% Depsidones, 7.4% Terpenoids : Triterpenes, 7.4% Quinones, 3.7% Dibenzofuranes, 3.7% N-Containing Compounds, 3.7% Aliphatic and Cycloaliphatic Compounds, 3.7%
motif_88 0.084 0.246 36 spectra, 23 molecules, 6 classes: 56.5% Terpenoids : Triterpenes, 21.7% Paraconic acids, 8.7% Terpenoids : Diterpenes, 4.3% Acids, 4.3% Xanthones and bis-Xanthones, 4.3% Depsides (Didepsides)

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
loss_17.0250 1000.0 motif_31 (0.819)
motif_55 (0.181)
fragment_369.2650 1000.0 motif_90 (1.000)
  • CC(=O)CCCCCCCCCCCCCC1OC(=O)C(C)C1C(=O)O
fragment_95.0850 868.0 motif_49 (0.807)
motif_88 (0.180)
motif_92 (0.010)
  • CCCCCCC
fragment_81.0750 612.0 motif_49 (0.933)
motif_88 (0.065)
  • CCCCCC
fragment_109.1050 529.0 motif_49 (0.595)
motif_88 (0.404)
  • CCCCCCCC
fragment_305.2450 429.0 motif_92 (1.000)
  • CC(=O)CCCCCCCCCCCCCCCC(C)C=O
loss_81.0450 429.0 motif_31 (0.055)
motif_55 (0.945)
fragment_67.0550 295.0 motif_49 (1.000)
  • CCCCC
fragment_123.1150 250.0 motif_49 (0.779)
motif_31 (0.034)
motif_92 (0.184)
  • CCCCCCCCC
fragment_121.1050 241.0 motif_88 (0.999)
loss_35.0350 213.0 motif_31 (0.113)
motif_55 (0.887)
fragment_351.2550 213.0 motif_92 (1.000)
loss_109.0350 209.0 motif_31 (0.028)
motif_90 (0.970)
fragment_277.2550 209.0 motif_92 (0.996)
fragment_135.1150 199.0 motif_31 (0.063)
motif_92 (0.753)
motif_90 (0.183)
loss_53.0450 173.0 motif_31 (0.021)
motif_55 (0.979)
fragment_333.2450 173.0 motif_49 (0.052)
motif_92 (0.944)
fragment_287.2350 167.0 motif_49 (0.019)
motif_92 (0.981)
loss_99.0550 167.0 motif_55 (1.000)
fragment_177.1650 65.0 motif_92 (0.475)
motif_90 (0.522)
fragment_315.2350 56.0 motif_49 (0.160)
motif_92 (0.658)
motif_90 (0.183)
loss_71.0550 56.0 motif_31 (0.035)
motif_55 (0.184)
motif_90 (0.780)
fragment_247.5750 40.0 motif_90 (0.990)
loss_138.7150 40.0 motif_90 (0.990)
loss_149.4550 38.0 motif_90 (0.989)
fragment_236.8350 38.0 motif_90 (0.989)
fragment_259.2450 34.0 motif_49 (0.767)
motif_92 (0.230)
loss_127.0450 34.0 motif_90 (0.988)