LDB_481_Isousnic acid -- LDB_481_Isousnic acid

Return to experiment 200421_LDB_POS_04
Resolver: mzspec:MS2LDA:TASK-1281:accession:1706441

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_39 0.757 0.588 8 spectra, 5 molecules, 4 classes: 40.0% Dibenzofuranes, 20.0% N-Containing Compounds, 20.0% Quinones, 20.0% Depsidones
motif_79 0.243 0.848 49 spectra, 32 molecules, 7 classes: 50.0% Depsidones, 12.5% Quinones, 12.5% Pulvinic Acid Derivatives, 9.4% Dibenzofuranes, 6.2% Acids, 6.2% Cleavage Products of Depsides and Depsidones, 3.1% Chromanes and Chromones

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_345.0950 1000.0 motif_39 (1.000)
  • CC(=O)C1=C(O)C=C2Oc3c(C)c(O)c(C(C)=O)c(O)c3C2(C)C1=O
loss_32.0250 1000.0 motif_79 (1.000)
fragment_233.0850 335.0 motif_39 (1.000)
loss_144.0450 335.0 motif_39 (1.000)
loss_162.0550 186.0 motif_39 (1.000)
fragment_215.0750 186.0 motif_39 (1.000)
loss_116.0450 164.0 motif_39 (1.000)
fragment_261.0750 164.0 motif_39 (1.000)
  • C=C1Oc2c(C)c(O)c(C(C)=O)c(O)c2C1(C)C=O
fragment_327.0850 151.0 motif_79 (0.629)
motif_39 (0.371)
loss_50.0350 151.0 motif_79 (0.998)
loss_18.0050 126.0 motif_39 (1.000)
fragment_359.1150 126.0 motif_79 (0.114)
motif_39 (0.886)
fragment_303.0850 124.0 motif_39 (1.000)
  • CC(=O)c1c(O)c(C)c2OC3=CC(O)=CC(=O)C3(C)c2c1O
loss_74.0350 124.0 motif_79 (0.038)
motif_39 (0.962)
fragment_181.0550 113.0 motif_39 (1.000)
loss_196.0750 113.0 motif_39 (1.000)
loss_42.0150 104.0 motif_39 (1.000)
fragment_335.1150 104.0 motif_39 (1.000)
  • CC(=O)C(C(=O)C(C)c1c(O)c(C)c(O)c(C(C)=O)c1O)=C(C)O
loss_158.0550 71.0 motif_39 (1.000)
fragment_219.0650 71.0 motif_39 (1.000)
loss_60.0250 67.0 motif_39 (1.000)
  • CC=O.O
fragment_317.1050 67.0 motif_39 (1.000)
  • CC(=O)C=C(O)C=C1Oc2c(C)c(O)c(C(C)=O)c(O)c2C1C
loss_181.0450 56.0 motif_39 (1.000)
fragment_196.0750 56.0 motif_39 (1.000)
  • COc1cc(O)c(C(C)=O)c(O)c1C
fragment_243.0650 54.0 motif_39 (1.000)
loss_134.0550 54.0 motif_39 (1.000)
fragment_285.0750 41.0 motif_39 (1.000)
  • CC(=O)c1cc2c(OC3=CC(O)=CC(=O)C32C)c(C)c1O
loss_92.0450 41.0 motif_39 (0.999)
fragment_404.6450 13.0 motif_39 (0.998)