LDB_173_Thelephoric acid -- LDB_173_Thelephoric acid

Return to experiment 200421_LDB_POS_04
Resolver: mzspec:MS2LDA:TASK-1281:accession:1706270

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_22 1.000 0.297 7 spectra, 4 molecules, 3 classes: 50.0% Depsidones, 25.0% Polyols Monosaccharides Carbohydrates, 25.0% 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_353.0250 1000.0 motif_22 (1.000)
  • O=C1c2oc3cc(O)c(O)cc3c2C(=O)c2oc3cc(O)c(O)cc3c21
fragment_325.0350 348.0 motif_22 (1.000)
  • O=C(c1cc2cc(O)c(O)cc2o1)c1coc2cc(O)c(O)cc12
fragment_297.0350 33.0 motif_22 (1.000)
  • O=C(cc1ccc(O)c(O)c1)c1cc2cc(O)c(O)cc2o1
fragment_279.0250 23.0 motif_22 (1.000)
  • O=C(cc1ccc(O)c(O)c1)c1cc2cc(O)ccc2o1
fragment_307.0250 19.0 motif_22 (1.000)
  • O=C(c1cc2cc(O)ccc2o1)c1coc2cc(O)c(O)cc12
loss_91.6750 17.0 motif_22 (1.000)
fragment_630.4050 17.0 motif_22 (1.000)
fragment_405.5750 17.0 motif_22 (1.000)
fragment_446.7650 16.0 motif_22 (1.000)
loss_65.1850 15.0 motif_22 (1.000)
fragment_139.5850 15.0 motif_22 (1.000)
fragment_179.8250 15.0 motif_22 (1.000)
loss_154.7650 15.0 motif_22 (1.000)
fragment_57.3550 15.0 motif_22 (1.000)
fragment_158.5250 15.0 motif_22 (1.000)
fragment_656.8950 15.0 motif_22 (1.000)
fragment_269.0450 15.0 motif_22 (1.000)
  • cc1coc2C(=O)c3c(Cc21)oc1cc(O)c(O)cc31
fragment_567.3150 15.0 motif_22 (1.000)
fragment_135.5350 14.0 motif_22 (1.000)
fragment_202.8550 14.0 motif_22 (1.000)
loss_117.6750 14.0 motif_22 (1.000)
fragment_595.3850 14.0 motif_22 (1.000)
fragment_114.0350 14.0 motif_22 (1.000)
fragment_604.4050 14.0 motif_22 (1.000)
loss_126.6850 14.0 motif_22 (1.000)
fragment_153.7850 14.0 motif_22 (1.000)
fragment_51.6450 14.0 motif_22 (1.000)
fragment_119.2250 14.0 motif_22 (1.000)
fragment_57.6750 13.0 motif_22 (1.000)
fragment_516.6750 13.0 motif_22 (1.000)
fragment_213.5450 13.0 motif_22 (1.000)
fragment_53.8950 12.0 motif_22 (1.000)
fragment_345.9650 12.0 motif_22 (1.000)
fragment_56.3550 12.0 motif_22 (1.000)
fragment_277.7550 12.0 motif_22 (1.000)
fragment_335.0150 9.0 motif_22 (1.000)
  • O=C1c2oc3cc(O)c(O)cc3c2C(=O)c2oc3ccc(O)cc3c21
fragment_436.1350 6.0 motif_22 (1.000)
fragment_378.7950 5.0 motif_22 (1.000)