LDB_504_Lobaric acid -- LDB_504_Lobaric acid

Return to experiment 200421_LDB_POS_04
Resolver: mzspec:MS2LDA:TASK-1281:accession:1706510

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_28 0.560 0.522 12 spectra, 2 molecules, 2 classes: 50.0% Diphenylethers, 50.0% Depsidones
motif_44 0.169 0.531 20 spectra, 18 molecules, 5 classes: 55.6% Depsidones, 16.7% Terpenoids : Triterpenes, 16.7% Pulvinic Acid Derivatives, 5.6% Aliphatic and Cycloaliphatic Compounds, 5.6% Xanthones and bis-Xanthones
motif_31 0.144 0.409 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_33 0.128 0.178 11 spectra, 8 molecules, 4 classes: 62.5% Depsidones, 12.5% Naphthopyranes, 12.5% Diphenylethers, 12.5% Xanthones and bis-Xanthones

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 999.0 motif_44 (0.229)
motif_31 (0.771)
fragment_457.1850 999.0 motif_28 (1.000)
  • CCCCCc1c2c(cc(O)c1C(=O)O)OC(=O)c1c(cc(OC)cc1C(=O)CCCC)O2
fragment_455.1650 677.0 motif_28 (1.000)
loss_19.0450 677.0 motif_33 (1.000)
loss_77.0450 469.0 motif_44 (1.000)
fragment_397.1650 469.0 motif_28 (1.000)
  • CCCCCc1cc(O)cc2OC(=O)c3c(cc(O)cc3C(=O)CCCC)Oc12
fragment_413.1950 410.0 motif_28 (1.000)
  • CCCCCc1cc(O)cc2OC(=O)c3c(cc(cc3C(=O)CCCC)OC)Oc12
loss_61.0150 410.0 motif_28 (0.534)
motif_44 (0.466)
loss_63.0350 165.0 motif_31 (0.243)
motif_33 (0.757)
fragment_411.1750 165.0 motif_28 (0.999)
  • CCCCCc1cc(O)cc2OC(=O)c3c(cc(cc3C(=O)CCCC)OC)Oc12
loss_81.0450 118.0 motif_28 (0.042)
motif_31 (0.957)
fragment_393.1650 118.0 motif_28 (0.999)
fragment_371.1850 116.0 motif_28 (1.000)
loss_103.0250 116.0 motif_44 (0.999)
fragment_357.1350 64.0 motif_28 (1.000)
  • CCCCCc1c(ccc2OC(=O)c3ccc(cc3Oc21)OC)C(=O)O
loss_117.0750 64.0 motif_28 (0.998)
fragment_235.0950 62.0 motif_28 (0.999)
fragment_341.1750 45.0 motif_28 (0.997)
loss_133.0350 45.0 motif_44 (0.984)
motif_33 (0.016)
fragment_179.0350 39.0 motif_28 (0.996)
  • CCc1cc(O)cc(O)c1C(=O)O
loss_187.0850 26.0 motif_44 (0.998)
fragment_287.1350 26.0 motif_28 (0.997)
fragment_217.0850 18.0 motif_28 (0.996)
  • CCCCC(=O)c1cc(ccc1C=O)OC
fragment_203.0750 16.0 motif_33 (0.991)
  • CCCCC(=O)c1cccc(O)c1C=O
fragment_193.0450 16.0 motif_28 (0.989)
  • CCCc1cc(O)cc(O)c1C(=O)O
fragment_151.0350 15.0 motif_28 (0.548)
motif_44 (0.449)
fragment_284.0250 13.0 motif_28 (0.990)
loss_190.1850 13.0 motif_28 (0.990)
fragment_269.1150 12.0 motif_28 (1.000)
fragment_161.0550 10.0 motif_28 (0.984)
fragment_708.2450 10.0 motif_28 (0.987)
fragment_105.0650 10.0 motif_28 (0.992)
fragment_129.0650 10.0 motif_28 (0.987)