LDB_516_Arthothelin -- LDB_516_Arthothelin

Return to experiment 200421_LDB_NEG_07
Resolver: mzspec:MS2LDA:TASK-1282:accession:1707352

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 0.521 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
loss_63.9750 997.0 motif_88 (1.000)
  • C.Cl.O
fragment_294.9550 997.0 motif_88 (1.000)
  • O=c1c2cccc(Cl)c2oc2c(Cl)c(O)cc(O)c12
loss_99.9450 841.0 motif_88 (1.000)
  • C.Cl.Cl.O
fragment_258.9850 841.0 motif_88 (1.000)
  • O=c1c2ccc(O)cc2oc2cc(O)c(Cl)cc12
fragment_230.9850 448.0 motif_88 (1.000)
  • ccc1coc2c(Cl)c(O)cc(C)c2c1=O
loss_127.9450 448.0 motif_88 (1.000)
  • Cl.O.OccCl
loss_34.9650 168.0 motif_88 (1.000)
  • Cl
fragment_323.9650 168.0 motif_88 (1.000)
  • Cc1cc(O)cc2oc3c(Cl)c(O)c(Cl)c(O)c3c(=O)c12
fragment_322.9550 140.0 motif_88 (1.000)
  • Cc1cc(O)cc2oc3c(Cl)c(O)c(Cl)c(O)c3c(=O)c12
loss_35.9750 140.0 motif_88 (1.000)
  • Cl
fragment_202.9950 116.0 motif_88 (1.000)
  • cc1coc2c(Cl)ccc(C)c2c1=O
loss_155.9350 116.0 motif_88 (1.000)
  • O.O.Oc(cCl)cCl
fragment_182.9850 111.0 motif_88 (1.000)
loss_175.9450 111.0 motif_88 (1.000)
fragment_286.9750 104.0 motif_88 (1.000)
loss_71.9450 104.0 motif_88 (1.000)
loss_191.9150 84.0 motif_88 (1.000)
fragment_167.0150 84.0 motif_88 (1.000)
loss_183.9350 78.0 motif_88 (1.000)
fragment_174.9950 78.0 motif_88 (1.000)
loss_91.8850 65.0 motif_88 (1.000)
fragment_267.0450 65.0 motif_88 (1.000)
fragment_195.0150 61.0 motif_88 (1.000)
loss_163.9150 61.0 motif_88 (1.000)
fragment_139.0050 25.0 motif_88 (1.000)
fragment_123.0250 9.0 motif_88 (1.000)
fragment_111.0150 8.0 motif_88 (1.000)
fragment_460.8550 7.0 motif_88 (1.000)
fragment_742.8550 6.0 motif_88 (1.000)
fragment_458.8650 6.0 motif_88 (1.000)
fragment_744.8450 5.0 motif_88 (1.000)
fragment_82.9750 3.0 motif_88 (1.000)
fragment_740.8450 2.0 motif_88 (1.000)
fragment_462.8550 2.0 motif_88 (1.000)
fragment_746.8350 1.0 motif_88 (1.000)
fragment_743.8550 1.0 motif_88 (1.000)
fragment_461.8550 1.0 motif_88 (1.000)
fragment_745.8450 1.0 motif_88 (1.000)
fragment_459.8550 1.0 motif_88 (1.000)