LDB_503_Norstictic acid -- LDB_503_Norstictic acid

Return to experiment 200421_LDB_POS_04
Resolver: mzspec:MS2LDA:TASK-1281:accession:1706168

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_55 0.755 0.158 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_65 0.145 0.456 50 spectra, 36 molecules, 8 classes: 38.9% Quinones, 16.7% Depsidones, 13.9% Cleavage Products of Depsides and Depsidones, 13.9% Xanthones and bis-Xanthones, 5.6% Chromanes and Chromones, 5.6% Pulvinic Acid Derivatives, 2.8% Acids, 2.8% Dibenzofuranes
motif_53 0.074 0.979 117 spectra, 76 molecules, 13 classes: 18.4% Paraconic acids, 17.1% Depsidones, 15.8% Quinones, 14.5% Cleavage Products of Depsides and Depsidones, 10.5% Terpenoids : Triterpenes, 6.6% Dibenzofuranes, 5.3% Acids, 3.9% Depsides (Didepsides), 2.6% 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_46.0050 1000.0 motif_65 (1.000)
  • C=O.O
fragment_327.0450 1000.0 motif_55 (1.000)
  • Cc1cc2C(=O)OC(O)c2c2Oc3cc(O)cc(C)c3C(=O)Oc12
fragment_355.0450 610.0 motif_55 (1.000)
  • Cc1cc(O)c(C=O)c2Oc3c4COC(=O)c4c(O)c(C)c3OC(=O)c12
loss_18.0150 610.0 motif_53 (1.000)
  • O
fragment_311.0550 534.0 motif_55 (1.000)
  • Cc1ccc(C=O)c(c1)Oc1cc(C)c(O)c2C(=O)OC(O)c12
loss_62.0050 534.0 motif_55 (1.000)
  • O.O=CO
fragment_299.0250 488.0 motif_22 (0.046)
motif_55 (0.954)
loss_74.0350 488.0 motif_55 (1.000)
fragment_245.0450 308.0 motif_55 (1.000)
  • Ccc1cOc2c(C=O)c(O)cc(C)c2C(=O)O1
loss_128.0150 308.0 motif_55 (1.000)
  • O=C1OC(O)cc1cO
fragment_217.0450 254.0 motif_55 (1.000)
  • CccOC(=O)c1cc(C=O)c(O)cc1C
loss_156.0050 254.0 motif_55 (1.000)
  • O=C1OC(O)c(cO)c1cO
fragment_215.0350 182.0 motif_22 (0.139)
motif_65 (0.358)
motif_55 (0.503)
  • CccOC(=O)c1cc(C=O)c(O)cc1C
loss_158.0250 182.0 motif_55 (1.000)
  • O=C1OC(O)c(cO)c1cO
loss_48.0250 159.0 motif_55 (1.000)
  • C=O.O
fragment_325.0350 159.0 motif_22 (0.999)
  • Cc1cc2C(=O)OC(O)c2c2Oc3cc(O)cc(C)c3C(=O)Oc12
fragment_243.0350 139.0 motif_55 (1.000)
loss_130.0250 139.0 motif_55 (1.000)
fragment_301.0750 117.0 motif_55 (1.000)
  • Cc1cc(O)c(C=O)c2Oc3ccc(O)c(C)c3OC(=O)c12
loss_71.9850 117.0 motif_55 (1.000)
  • O=COCO
loss_104.0150 105.0 motif_55 (1.000)
  • C=O.O=COCO
fragment_269.0450 105.0 motif_22 (0.028)
motif_65 (0.971)
  • Cc1cc(O)cc2Oc3ccc(O)c(C)c3OC(=O)c12
fragment_187.0450 97.0 motif_55 (1.000)
loss_186.0150 97.0 motif_55 (1.000)
loss_184.0050 80.0 motif_55 (1.000)
fragment_189.0550 80.0 motif_55 (1.000)
fragment_161.0550 37.0 motif_55 (0.999)
fragment_131.0550 25.0 motif_55 (0.999)
fragment_115.0550 19.0 motif_65 (0.997)
fragment_105.0650 18.0 motif_55 (0.999)
fragment_128.0650 16.0 motif_65 (0.999)
fragment_83.0150 7.0 motif_55 (0.995)
  • cc(O)cC=O