LDB_782_Arthothelin -- LDB_782_Arthothelin

Return to experiment 200421_LDB_NEG_07
Resolver: mzspec:MS2LDA:TASK-1282:accession:1707093

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_88 1.000 0.481 10 spectra, 7 molecules, 4 classes: 28.6% Polyols Monosaccharides Carbohydrates, 28.6% Cleavage Products of Depsides and Depsidones, 28.6% Xanthones and bis-Xanthones, 14.3% Depsidones

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_91.9650 1000.0 motif_88 (1.000)
  • O.OccCl
fragment_266.9650 1000.0 motif_88 (1.000)
  • cc(C)c1coc2c(Cl)c(O)c(Cl)cc2c1=O
fragment_294.9550 664.0 motif_88 (1.000)
  • O=c1c2cccc(Cl)c2oc2c(Cl)c(O)cc(O)c12
loss_63.9650 664.0 motif_88 (1.000)
fragment_230.9850 616.0 motif_88 (1.000)
  • ccc1coc2c(Cl)c(O)cc(C)c2c1=O
loss_127.9350 616.0 motif_88 (1.000)
fragment_258.9750 535.0 motif_88 (1.000)
  • O=c1c2ccc(O)cc2oc2cc(O)c(Cl)cc12
loss_99.9450 535.0 motif_88 (1.000)
  • C.Cl.Cl.O
fragment_268.9550 303.0 motif_88 (1.000)
loss_89.9650 303.0 motif_88 (1.000)
fragment_296.9550 218.0 motif_88 (1.000)
loss_61.9650 218.0 motif_88 (1.000)
fragment_202.9950 215.0 motif_88 (1.000)
  • cc1coc2c(Cl)ccc(C)c2c1=O
loss_155.9350 215.0 motif_88 (1.000)
  • O.O.Oc(cCl)cCl
fragment_182.9850 188.0 motif_88 (1.000)
loss_175.9450 188.0 motif_88 (1.000)
fragment_322.9550 166.0 motif_88 (1.000)
  • Cc1cc(O)cc2oc3c(Cl)c(O)c(Cl)c(O)c3c(=O)c12
loss_35.9750 166.0 motif_88 (1.000)
  • Cl
fragment_195.0150 134.0 motif_88 (1.000)
loss_163.9150 134.0 motif_88 (1.000)
loss_191.9150 131.0 motif_88 (1.000)
fragment_167.0150 131.0 motif_88 (1.000)
loss_183.9350 96.0 motif_88 (1.000)
fragment_174.9950 96.0 motif_88 (1.000)
fragment_139.0150 53.0 motif_88 (1.000)
fragment_123.0250 13.0 motif_88 (1.000)
fragment_111.0250 9.0 motif_88 (1.000)