LDB_447_Thelephoric acid -- LDB_447_Thelephoric acid

Return to experiment 200421_LDB_NEG_07
Resolver: mzspec:MS2LDA:TASK-1282:accession:1706834

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_92 1.000 0.640 3 spectra, 1 molecule, 1 class: 100.0% 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_295.0250 1000.0 motif_92 (1.000)
  • O=C(cc1ccc(O)c(O)c1)c1cc2cc(O)c(O)cc2o1
loss_55.9850 1000.0 motif_92 (1.000)
  • O=Cco
loss_29.0050 846.0 motif_92 (1.000)
fragment_322.0150 846.0 motif_92 (1.000)
fragment_211.0450 696.0 motif_92 (1.000)
loss_139.9750 696.0 motif_92 (1.000)
loss_83.9850 612.0 motif_92 (1.000)
fragment_267.0350 612.0 motif_92 (1.000)
fragment_239.0350 589.0 motif_92 (1.000)
loss_111.9750 589.0 motif_92 (1.000)
loss_84.9950 568.0 motif_92 (1.000)
  • O.cc(O)cO
fragment_266.0250 568.0 motif_92 (1.000)
  • cc1cc2C(=O)c3oc4cc(O)ccc4c3C(=O)c2o1
fragment_323.0150 552.0 motif_92 (1.000)
  • O=C(c1cc2cc(O)c(O)cc2o1)c1coc2cc(O)c(O)cc12
loss_27.9950 552.0 motif_92 (1.000)
  • C=O
loss_99.9750 489.0 motif_92 (1.000)
fragment_251.0350 489.0 motif_92 (1.000)
loss_128.9850 452.0 motif_92 (1.000)
fragment_222.0350 452.0 motif_92 (1.000)
loss_183.9650 416.0 motif_92 (1.000)
fragment_167.0550 416.0 motif_92 (1.000)
fragment_183.0450 329.0 motif_92 (1.000)
loss_167.9650 329.0 motif_92 (1.000)
fragment_147.0050 228.0 motif_92 (1.000)
  • Oc1cc2ccoc2cc1O
fragment_102.9550 176.0 motif_92 (1.000)
fragment_73.0050 68.0 motif_92 (1.000)