LDB_545_Norstictic acid -- LDB_545_Norstictic acid

Return to experiment 200421_LDB_POS_04
Resolver: mzspec:MS2LDA:TASK-1281:accession:1705959

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_22 1.000 0.502 7 spectra, 4 molecules, 3 classes: 50.0% Depsidones, 25.0% Polyols Monosaccharides Carbohydrates, 25.0% 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
fragment_325.0350 999.0 motif_22 (1.000)
  • Cc1cc2C(=O)OC(O)c2c2Oc3cc(O)cc(C)c3C(=O)Oc12
loss_85.9750 999.0 motif_22 (1.000)
fragment_371.0350 927.0 motif_22 (1.000)
loss_39.9750 927.0 motif_22 (1.000)
loss_111.9850 457.0 motif_22 (1.000)
fragment_299.0250 457.0 motif_22 (1.000)
fragment_215.0350 325.0 motif_22 (1.000)
  • CccOC(=O)c1cc(C=O)c(O)cc1C
loss_195.9750 325.0 motif_22 (1.000)
loss_113.9750 229.0 motif_22 (1.000)
fragment_297.0350 229.0 motif_22 (1.000)
  • Cc1cc(O)c(C=O)c2Oc3ccc(O)c(C)c3OC(=O)c12
fragment_243.0250 131.0 motif_22 (1.000)
  • Ccc1cOC(=O)c2c(C)cc(O)c(C=O)c2O1
loss_167.9850 131.0 motif_22 (1.000)
loss_57.9850 130.0 motif_22 (1.000)
fragment_353.0250 130.0 motif_22 (1.000)
fragment_229.0450 111.0 motif_22 (1.000)
  • Ccc1cOc2c(C=O)ccc(C)c2C(=O)O1
loss_181.9650 111.0 motif_22 (1.000)
loss_169.9650 90.0 motif_22 (1.000)
fragment_241.0450 90.0 motif_22 (1.000)
  • cc(C)c1cOc2c(C=O)ccc(C)c2C(=O)O1
loss_129.9650 51.0 motif_22 (1.000)
fragment_281.0450 51.0 motif_22 (1.000)
  • Cc1cccc2Oc3c(C=O)c(O)cc(C)c3C(=O)Oc12
loss_42.9350 50.0 motif_22 (1.000)
fragment_368.0750 50.0 motif_22 (1.000)
fragment_309.0350 47.0 motif_22 (1.000)
loss_101.9750 47.0 motif_22 (1.000)
fragment_366.0650 37.0 motif_22 (1.000)
loss_44.9550 37.0 motif_22 (1.000)
fragment_213.0550 35.0 motif_22 (1.000)
loss_197.9550 35.0 motif_22 (1.000)
fragment_177.0150 30.0 motif_22 (1.000)
  • Cc1ccc2c(C(=O)OC2O)c1O
fragment_99.0050 18.0 motif_22 (1.000)