LDB_672_Scensidin -- LDB_672_Scensidin

Return to experiment 200421_LDB_POS_04
Resolver: mzspec:MS2LDA:TASK-1281:accession:1706405

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_79 0.848 0.776 49 spectra, 32 molecules, 7 classes: 50.0% Depsidones, 12.5% Quinones, 12.5% Pulvinic Acid Derivatives, 9.4% Dibenzofuranes, 6.2% Acids, 6.2% Cleavage Products of Depsides and Depsidones, 3.1% Chromanes and Chromones
motif_40 0.152 0.144 13 spectra, 6 molecules, 4 classes: 50.0% Depsidones, 16.7% Terpenoids : Triterpenes, 16.7% Paraconic acids, 16.7% Xanthones and bis-Xanthones

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_369.0350 1000.0 motif_79 (1.000)
  • COc1cc2c(c(C)c1Cl)Oc1cc(OC)c(Cl)c(C)c1C(=O)O2
loss_32.0250 1000.0 motif_79 (1.000)
fragment_305.0550 196.0 motif_40 (0.999)
  • COc1cc(C)c2C(=O)Oc3ccc(Cl)c(C)c3Oc2c1
loss_95.9950 196.0 motif_79 (1.000)
loss_123.9950 171.0 motif_79 (1.000)
fragment_277.0650 171.0 motif_40 (0.999)
fragment_198.0050 166.0 motif_79 (1.000)
  • COc1ccc(C(=O)O)c(C)c1Cl
loss_110.9850 107.0 motif_79 (1.000)
fragment_290.0750 107.0 motif_79 (1.000)
  • COc1ccc(Oc2cc(C)c(Cl)c(c2)OC)c(C)c1
fragment_333.0550 101.0 motif_40 (0.999)
  • COc1cc(C)c2C(=O)Oc3cc(OC)c(Cl)c(C)c3Oc2c1
loss_68.0050 101.0 motif_79 (1.000)
fragment_327.0150 98.0 motif_40 (0.992)
  • COc1cc(O)c(Oc2cc(C)c(Cl)c(O)c2)c(C)c1Cl
loss_74.0350 98.0 motif_79 (1.000)
loss_171.0250 53.0 motif_79 (1.000)
  • COc1ccc(O)c(C)c1Cl
fragment_230.0350 53.0 motif_79 (1.000)
fragment_170.0150 52.0 motif_79 (1.000)
fragment_172.0250 50.0 motif_79 (1.000)
  • COc1ccc(O)c(C)c1Cl
fragment_311.9950 48.0 motif_40 (0.993)
  • COc1cc2Oc(cOC(=O)c2c(C)c1Cl)c(C)cCl
loss_89.0650 48.0 motif_79 (0.999)
fragment_275.0450 40.0 motif_79 (0.999)
  • Cc1cccc2Oc3c(ccc(Cl)c3C)OC(=O)c12
loss_126.0150 40.0 motif_79 (0.999)
fragment_171.0250 29.0 motif_79 (0.999)
loss_31.8350 27.0 motif_79 (0.999)
fragment_369.2250 27.0 motif_79 (0.999)
fragment_143.0250 24.0 motif_79 (0.999)
  • Cc1cccc(O)c1Cl
fragment_154.9950 23.0 motif_79 (0.999)
fragment_129.0150 7.0 motif_79 (0.997)
fragment_108.0550 6.0 motif_79 (0.996)
fragment_77.0450 4.0 motif_79 (0.996)