LDB_429_Polyporic acid -- LDB_429_Polyporic acid

Return to experiment 200421_LDB_POS_04
Resolver: mzspec:MS2LDA:TASK-1281:accession:1705888

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_17 0.920 0.613 15 spectra, 12 molecules, 5 classes: 33.3% Terpenoids : Triterpenes, 33.3% Depsidones, 16.7% Quinones, 8.3% Diphenylethers, 8.3% Pulvinic Acid Derivatives
motif_53 0.051 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_261.0550 1000.0 motif_17 (0.998)
  • cccc(c)C1C(=O)C=C(C(=O)C=1O)c1ccccc1
loss_78.0350 1000.0 motif_17 (1.000)
fragment_203.0350 346.0 motif_17 (1.000)
  • O=CC(O)=C(C(=O)CO)c1ccccc1
loss_136.0550 346.0 motif_17 (1.000)
fragment_321.0750 245.0 motif_17 (0.999)
loss_18.0150 245.0 motif_53 (1.000)
loss_106.0250 171.0 motif_17 (1.000)
fragment_233.0550 171.0 motif_17 (1.000)
  • ccc(c)C1=CC(=O)C(=CC1=O)c1ccccc1
fragment_221.0450 111.0 motif_17 (1.000)
loss_118.0450 111.0 motif_17 (1.000)
loss_50.0350 107.0 motif_17 (0.983)
motif_79 (0.017)
fragment_289.0450 107.0 motif_17 (1.000)
loss_134.0250 97.0 motif_17 (1.000)
fragment_205.0650 97.0 motif_17 (1.000)
fragment_173.0250 79.0 motif_17 (1.000)
  • O=CC(O)=C(C=O)c1ccccc1
loss_166.0650 79.0 motif_17 (1.000)
loss_178.0650 58.0 motif_17 (0.761)
motif_26 (0.239)
fragment_161.0250 58.0 motif_17 (0.630)
motif_26 (0.370)
loss_32.0250 49.0 motif_79 (0.999)
  • O.c
fragment_307.0650 49.0 motif_26 (0.998)
loss_74.0050 42.0 motif_17 (1.000)
fragment_265.0850 42.0 motif_17 (1.000)
  • O=C(C(O)=Cc1ccccc1)C(=CO)c1ccccc1
fragment_103.9550 38.0 motif_17 (1.000)
fragment_90.5150 35.0 motif_17 (1.000)
fragment_128.2850 34.0 motif_17 (1.000)
loss_177.0550 32.0 motif_17 (1.000)
fragment_162.0250 32.0 motif_17 (1.000)
fragment_66.2650 25.0 motif_17 (1.000)
fragment_91.0550 16.0 motif_17 (0.890)
motif_53 (0.083)
motif_26 (0.026)
  • Cc1ccccc1