LDB_222_Lobaric acid -- LDB_222_Lobaric acid

Return to experiment 200421_LDB_POS_04
Resolver: mzspec:MS2LDA:TASK-1281:accession:1706492

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 0.519 0.601 12 spectra, 2 molecules, 2 classes: 50.0% Diphenylethers, 50.0% Depsidones
motif_44 0.205 0.544 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_55 0.160 0.305 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 0.112 0.303 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%

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_44 (0.270)
motif_31 (0.581)
motif_55 (0.148)
fragment_457.1850 1000.0 motif_28 (1.000)
  • CCCCCc1c2c(cc(O)c1C(=O)O)OC(=O)c1c(cc(OC)cc1C(=O)CCCC)O2
fragment_421.1650 562.0 motif_28 (1.000)
  • CCCCCc1c(C=O)ccc2OC(=O)c3c(cc(cc3C(=O)CCCC)OC)Oc21
loss_53.0450 562.0 motif_31 (0.018)
motif_55 (0.982)
loss_77.0450 555.0 motif_44 (1.000)
fragment_397.1650 555.0 motif_28 (1.000)
  • CCCCCc1cc(O)cc2OC(=O)c3c(cc(O)cc3C(=O)CCCC)Oc12
loss_35.0350 218.0 motif_44 (0.171)
motif_31 (0.082)
motif_55 (0.747)
fragment_439.1750 218.0 motif_28 (1.000)
  • CCCCCc1c(ccc2OC(=O)c3c(cc(cc3C(=O)CCCC)OC)Oc21)C(=O)O
fragment_369.0950 96.0 motif_28 (1.000)
  • CCCCC(=O)c1cc(cc2Oc3cc(ccc3OC(=O)c21)C(=O)O)OC
loss_105.1150 96.0 motif_44 (1.000)
fragment_371.1850 72.0 motif_28 (1.000)
  • CCCCCc1c(cccc1C(=O)O)Oc1cc(cc(c1)C(=O)CC)OC
loss_103.0250 72.0 motif_44 (0.999)
loss_95.0550 66.0 motif_28 (0.508)
motif_44 (0.492)
fragment_379.1550 66.0 motif_28 (1.000)
  • CCCCCc1cc(O)cc2OC(=O)c3c(cccc3C(=O)CCCC)Oc12
fragment_57.0750 47.0 motif_28 (0.759)
motif_55 (0.241)
fragment_343.1950 30.0 motif_28 (1.000)
loss_131.0250 30.0 motif_44 (0.999)
loss_187.0850 24.0 motif_44 (0.999)
fragment_287.1250 24.0 motif_28 (1.000)
  • cc(ccOc1cccc(C(=O)O)c1CCCCC)OC
fragment_255.0650 22.0 motif_28 (0.013)
motif_5 (0.985)
  • COc1ccc2C(=O)Oc3cccc(C)c3Oc2c1
loss_165.0950 20.0 motif_28 (0.992)
fragment_201.0950 20.0 motif_28 (0.999)
  • CCCCC(=O)c1cc(ccc1C)OC
fragment_309.1150 20.0 motif_28 (0.992)
  • CCCCCc1cccc2OC(=O)c3ccc(cc3Oc12)OC
fragment_137.0250 19.0 motif_28 (1.000)
  • O=C(O)c1ccccc1O
fragment_85.0650 18.0 motif_28 (1.000)
  • CCCCC=O
fragment_265.1250 17.0 motif_28 (0.991)
fragment_269.1150 17.0 motif_28 (1.000)
fragment_55.7850 3.0 motif_28 (0.951)
motif_44 (0.025)
motif_55 (0.014)