LDB_557_Pulvinic acid dilactone -- LDB_557_Pulvinic acid dilactone

Return to experiment 200421_LDB_POS_04
Resolver: mzspec:MS2LDA:TASK-1281:accession:1706101

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_50 0.882 0.832 22 spectra, 9 molecules, 2 classes: 88.9% Pulvinic Acid Derivatives, 11.1% Chromanes and Chromones
motif_31 0.118 0.516 32 spectra, 27 molecules, 9 classes: 29.6% Paraconic acids, 22.2% Pulvinic Acid Derivatives, 18.5% Depsidones, 7.4% Terpenoids : Triterpenes, 7.4% Quinones, 3.7% Dibenzofuranes, 3.7% N-Containing Compounds, 3.7% Aliphatic and Cycloaliphatic Compounds, 3.7%

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_207.0850 1000.0 motif_50 (1.000)
loss_101.0150 1000.0 motif_50 (0.996)
loss_17.0250 905.0 motif_31 (1.000)
fragment_291.0650 905.0 motif_50 (1.000)
  • O=C1OC2=C(c3ccccc3)C(=O)OC2=C1c1ccccc1
fragment_178.0750 767.0 motif_50 (1.000)
loss_130.0150 767.0 motif_50 (1.000)
fragment_263.0750 545.0 motif_50 (1.000)
  • O=C1OC(=Cc2ccccc2)C(O)=C1c1ccccc1
loss_45.0250 545.0 motif_50 (1.000)
fragment_235.0750 253.0 motif_50 (1.000)
  • O=C(Cc1ccccc1)OC=Cc1ccccc1
loss_73.0150 253.0 motif_50 (0.998)
fragment_179.0850 144.0 motif_50 (1.000)
loss_129.0050 144.0 motif_50 (1.000)
fragment_89.0350 134.0 motif_50 (1.000)
  • Cc1ccccc1
loss_163.0650 44.0 motif_50 (1.000)
fragment_145.0250 44.0 motif_50 (1.000)
  • C=C(C(=O)O)c1ccccc1
fragment_189.0650 33.0 motif_50 (0.999)
loss_119.0250 33.0 motif_50 (0.958)
motif_31 (0.042)
fragment_117.0350 32.0 motif_50 (1.000)
loss_191.0550 32.0 motif_50 (1.000)
fragment_290.0550 31.0 motif_50 (0.999)
  • O=C1OC2=C(c3ccccc3)C(=O)OC2=C1c1ccccc1
loss_18.0350 31.0 motif_50 (0.999)
fragment_208.0850 27.0 motif_50 (0.999)
loss_100.0050 27.0 motif_50 (0.999)
fragment_129.0350 9.0 motif_50 (0.998)
  • C=C(C=O)c1ccccc1
loss_179.0550 9.0 motif_50 (0.998)
fragment_105.0350 7.0 motif_50 (0.999)
fragment_77.0350 5.0 motif_50 (0.997)
  • c1ccccc1
fragment_677.4450 5.0 motif_50 (0.996)