LDB_366_Stictic acid -- LDB_366_Stictic acid

Return to experiment 200421_LDB_POS_04
Resolver: mzspec:MS2LDA:TASK-1281:accession:1706235

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_32 0.756 0.364 11 spectra, 5 molecules, 1 class: 100.0% Depsidones
motif_79 0.117 0.717 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_65 0.059 0.530 50 spectra, 36 molecules, 8 classes: 38.9% Quinones, 16.7% Depsidones, 13.9% Cleavage Products of Depsides and Depsidones, 13.9% Xanthones and bis-Xanthones, 5.6% Chromanes and Chromones, 5.6% Pulvinic Acid Derivatives, 2.8% Acids, 2.8% Dibenzofuranes
motif_53 0.058 0.979 117 spectra, 76 molecules, 13 classes: 18.4% Paraconic acids, 17.1% Depsidones, 15.8% Quinones, 14.5% Cleavage Products of Depsides and Depsidones, 10.5% Terpenoids : Triterpenes, 6.6% Dibenzofuranes, 5.3% Acids, 3.9% Depsides (Didepsides), 2.6% 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_355.0450 1000.0 motif_32 (1.000)
  • Cc1ccc(C=O)c2Oc3c(OC(=O)c12)c(C)c(O)c1C(=O)OC(O)c31
loss_32.0250 1000.0 motif_79 (1.000)
  • CO
loss_74.0350 581.0 motif_32 (0.995)
  • C.C=O.CO
fragment_313.0350 581.0 motif_32 (1.000)
  • Cc1cccc2Oc3c(cc(O)c4C(=O)OC(O)c34)OC(=O)c12
loss_146.0250 576.0 motif_79 (0.017)
motif_32 (0.983)
  • CO.O.O=C1ccC(O)O1
fragment_241.0450 576.0 motif_65 (0.252)
motif_32 (0.748)
  • cc(C)c1cOc2c(C=O)ccc(C)c2C(=O)O1
fragment_259.0650 515.0 motif_32 (1.000)
  • Ccc1cOc2c(C=O)c(cc(C)c2C(=O)O1)OC
loss_128.0150 515.0 motif_32 (1.000)
  • O=C1OC(O)cc1cO
fragment_369.0650 507.0 motif_32 (1.000)
  • COc1cc(C)c2C(=O)Oc3c(C)c(O)c4C(=O)OCc4c3Oc2c1C=O
loss_18.0150 507.0 motif_53 (1.000)
  • O
fragment_341.0650 276.0 motif_32 (1.000)
  • Cc1cc2C(=O)OC(O)c2c2Oc3c(C=O)ccc(C)c3C(=O)Oc12
loss_46.0050 276.0 motif_65 (1.000)
  • CO.O
fragment_231.0650 234.0 motif_32 (1.000)
  • CccOC(=O)c1cc(C=O)c(cc1C)OC
loss_156.0050 234.0 motif_32 (1.000)
  • O=C1OC(O)c(cO)c1cO
loss_142.0250 211.0 motif_32 (1.000)
  • C.O=C1OC(O)cc1cO
fragment_245.0450 211.0 motif_32 (1.000)
  • Ccc1cOc2c(C=O)c(O)cc(C)c2C(=O)O1
fragment_229.0450 95.0 motif_32 (1.000)
  • Ccc1cOc2c(C=O)ccc(C)c2C(=O)O1
fragment_257.0450 95.0 motif_65 (0.195)
motif_32 (0.805)
  • Cc(cO)c1cOc2c(C=O)ccc(C)c2C(=O)O1
loss_158.0250 95.0 motif_32 (1.000)
  • CO.O=C1OC(O)cc1cO
loss_130.0250 95.0 motif_32 (1.000)
  • CO.O=C1ccC(O)O1
loss_60.0250 86.0 motif_21 (0.999)
  • C=O.CO
fragment_327.0450 86.0 motif_32 (1.000)
  • Cc1cccc2Oc3c(OC(=O)c12)c(C)c(O)c1C(=O)OC(O)c31
loss_74.0050 72.0 motif_65 (1.000)
  • O=COCO
fragment_313.0750 72.0 motif_32 (1.000)
  • COc1cc(C)c2C(=O)Oc3c(ccc(O)c3C)Oc2c1C=O
fragment_177.0550 38.0 motif_32 (0.999)
  • COc1cc(C)c(C=O)cc1C=O
fragment_175.0750 27.0 motif_32 (1.000)
fragment_75.0250 20.0 motif_32 (0.999)
fragment_92.3650 19.0 motif_32 (0.999)
fragment_118.3650 19.0 motif_32 (0.999)
fragment_78.3550 17.0 motif_32 (0.999)
fragment_73.3650 16.0 motif_32 (0.999)
fragment_91.9750 16.0 motif_32 (0.999)