LDB_348_Alpha-Alectoronic acid -- LDB_348_Alpha-Alectoronic acid

Return to experiment 200421_LDB_POS_04
Resolver: mzspec:MS2LDA:TASK-1281:accession:1706330

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_75 0.695 0.601 10 spectra, 5 molecules, 3 classes: 60.0% Depsidones, 20.0% Dibenzofuranes, 20.0% Depsides (Didepsides)
motif_44 0.186 0.569 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 0.118 0.328 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

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_77.0450 1000.0 motif_44 (1.000)
fragment_453.1950 1000.0 motif_75 (1.000)
  • CCCCCC(=O)Cc1cc(O)cc2Oc3c(cc(O)cc3OC(=O)c12)CC(=O)CCCC
loss_35.0350 986.0 motif_44 (0.220)
motif_55 (0.780)
fragment_495.2050 986.0 motif_75 (1.000)
  • CCCCCC(=O)Cc1cc(O)cc2Oc3c(ccc(C(=O)O)c3CC(=O)CCCCC)OC(=O)c12
fragment_397.1250 672.0 motif_75 (1.000)
  • CCCCCC(=O)Cc1c(ccc2OC(=O)c3c(C)cc(O)cc3Oc21)C(=O)O
loss_133.1150 672.0 motif_75 (1.000)
fragment_71.0850 565.0 motif_75 (1.000)
  • CCCCC
fragment_99.0850 356.0 motif_75 (1.000)
  • CCCCCC=O
loss_17.0250 327.0 motif_44 (0.692)
motif_55 (0.308)
fragment_513.2150 327.0 motif_75 (1.000)
  • CCCCCC(=O)Cc1cc(O)cc2c1C(=O)Oc1cc(O)c(C(=O)O)c(CC(=O)CCCCC)c1O2
loss_53.0450 244.0 motif_55 (1.000)
fragment_477.1950 244.0 motif_75 (1.000)
  • CCCCCC(=O)Cc1cccc2Oc3c(ccc(C(=O)O)c3CC(=O)CCCCC)OC(=O)c12
loss_175.1250 210.0 motif_75 (0.466)
motif_44 (0.533)
fragment_355.1150 210.0 motif_75 (1.000)
  • CCCCCC(=O)Cc1cc(O)cc2Oc3ccc(O)cc3OC(=O)c12
fragment_299.0550 163.0 motif_75 (1.000)
  • Cc1cc(O)cc2Oc3c(ccc(C(=O)O)c3C)OC(=O)c12
loss_159.0850 126.0 motif_75 (0.895)
motif_44 (0.105)
fragment_371.1450 126.0 motif_75 (1.000)
  • CCCCCC(=O)Cc1cc(O)cc2OC(=O)c3c(C)cc(O)cc3Oc12
loss_151.1150 102.0 motif_75 (0.999)
fragment_379.1150 102.0 motif_75 (1.000)
fragment_369.1350 84.0 motif_75 (1.000)
  • CCCCCC(=O)Cc1cc(O)cc2OC(=O)c3c(C)cc(O)cc3Oc12
loss_161.1050 84.0 motif_75 (0.999)
fragment_415.1350 83.0 motif_75 (1.000)
  • CCCCCC(=O)Cc1cc(O)cc2Oc3c(cc(O)c(C(=O)O)c3C)OC(=O)c12
loss_115.0950 83.0 motif_75 (0.999)
loss_103.0250 72.0 motif_44 (0.999)
fragment_427.2150 72.0 motif_75 (1.000)
  • CCCCCC(=O)Cc1cc(O)cc(c1)Oc1cccc(C(=O)O)c1CC(=O)CCC
fragment_297.0450 70.0 motif_75 (1.000)
  • Cc1cc(O)cc2Oc3c(ccc(C(=O)O)c3C)OC(=O)c12
fragment_354.1150 58.0 motif_75 (1.000)
  • CCCCCC(=O)Cc1cc(O)cc2Oc3ccc(O)cc3OC(=O)c12
loss_176.1250 58.0 motif_44 (0.998)
fragment_425.1250 51.0 motif_75 (0.999)
  • CCCCCC(=O)Cc1cc(O)cc2Oc3c(ccc(C(=O)O)c3CC=O)OC(=O)c12
loss_105.1150 51.0 motif_44 (0.999)
fragment_281.0450 37.0 motif_75 (1.000)
  • Cc1cccc2Oc3c(ccc(C(=O)O)c3C)OC(=O)c12
fragment_271.0650 37.0 motif_75 (1.000)
  • CCCCCC(=O)Cc1c(C=O)ccc(OC=O)c1O
fragment_91.9650 35.0 motif_75 (0.791)
motif_44 (0.209)
fragment_287.1250 33.0 motif_75 (0.999)
  • cc1cOc2cccc(CC(=O)CCCCC)c2C(=O)O1
fragment_301.1450 31.0 motif_75 (1.000)
fragment_245.0850 23.0 motif_75 (0.999)
  • CCCCCC(=O)Cc1cc(O)ccc1C(=O)O
fragment_163.0350 18.0 motif_75 (0.999)
  • O=CCc1cc(O)ccc1C=O
fragment_73.6550 17.0 motif_75 (0.996)
fragment_73.1550 9.0 motif_75 (0.993)
fragment_81.0750 4.0 motif_75 (0.996)
  • CCCCCC