LDB_210_Strepsilin -- LDB_210_Strepsilin

Return to experiment 200421_LDB_NEG_07
Resolver: mzspec:MS2LDA:TASK-1282:accession:1706928

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_80 0.786 0.468 16 spectra, 9 molecules, 3 classes: 55.6% Quinones, 22.2% Dibenzofuranes, 22.2% Depsidones
motif_86 0.214 0.981 117 spectra, 64 molecules, 11 classes: 25.0% Paraconic acids, 23.4% Depsidones, 15.6% Cleavage Products of Depsides and Depsidones, 9.4% Quinones, 6.2% Dibenzofuranes, 6.2% Acids, 4.7% Pulvinic Acid Derivatives, 3.1% Diphenylethers, 3.1% Xanthones and bis-

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_71.9850 1000.0 motif_80 (1.000)
  • COC=O.O
fragment_197.0650 1000.0 motif_80 (1.000)
  • Cc1cc(O)cc2oc3ccccc3c12
loss_43.9850 918.0 motif_86 (1.000)
  • O=CO
fragment_225.0550 918.0 motif_80 (1.000)
  • Cc1cc(O)cc2oc3cc(O)cc(C)c3c12
loss_99.9750 96.0 motif_80 (1.000)
fragment_169.0650 96.0 motif_80 (1.000)
  • cc1oc2cccc(C)c2c1cC
fragment_215.0750 45.0 motif_80 (1.000)
  • Ccc1c(ccO)oc2cc(O)cc(C)c21
loss_53.9750 45.0 motif_80 (1.000)
  • cC(=O)O
fragment_196.0550 42.0 motif_80 (1.000)
  • Cc1cc(O)cc2oc3ccccc3c12
loss_72.9950 42.0 motif_80 (1.000)
  • COC=O.O
loss_87.0050 40.0 motif_80 (1.000)
fragment_182.0350 40.0 motif_80 (1.000)