LDB_497_Vulpinic acid -- LDB_497_Vulpinic acid

Return to experiment 200421_LDB_NEG_07
Resolver: mzspec:MS2LDA:TASK-1282:accession:1707432

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_68 0.937 0.645 9 spectra, 3 molecules, 2 classes: 66.7% Pulvinic Acid Derivatives, 33.3% Depsidones
motif_51 0.062 0.403 29 spectra, 11 molecules, 4 classes: 72.7% Pulvinic Acid Derivatives, 9.1% Quinones, 9.1% Cleavage Products of Depsides and Depsidones, 9.1% Depsides (Tridepsides)

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
loss_70.9750 1000.0 motif_68 (1.000)
fragment_250.0950 1000.0 motif_68 (1.000)
loss_129.9950 902.0 motif_68 (1.000)
fragment_191.0850 902.0 motif_51 (0.079)
motif_68 (0.921)
fragment_190.0750 874.0 motif_68 (1.000)
loss_130.9950 874.0 motif_68 (1.000)
loss_71.9850 779.0 motif_68 (1.000)
  • COC=O.O
fragment_249.0950 779.0 motif_68 (1.000)
  • O=CC(=C(O)C=Cc1ccccc1)c1ccccc1
fragment_117.0350 775.0 motif_51 (0.168)
motif_68 (0.832)
loss_132.0050 761.0 motif_68 (1.000)
fragment_189.0750 761.0 motif_68 (1.000)
fragment_263.0750 522.0 motif_51 (0.998)
  • O=C1OC(=Cc2ccccc2)C(O)=C1c1ccccc1
loss_58.0050 522.0 motif_68 (1.000)
  • COC=O
loss_59.0150 328.0 motif_68 (1.000)
  • COC=O
fragment_262.0650 328.0 motif_68 (0.997)
  • O=C1OC(=Cc2ccccc2)C(O)=C1c1ccccc1
fragment_118.0350 227.0 motif_51 (0.046)
motif_68 (0.954)
fragment_665.1450 129.0 motif_68 (1.000)
loss_129.9150 82.0 motif_68 (1.000)
fragment_191.1650 82.0 motif_68 (1.000)
fragment_666.1450 58.0 motif_68 (1.000)
fragment_117.1750 25.0 motif_68 (1.000)
fragment_667.1550 14.0 motif_68 (1.000)
fragment_125.0450 7.0 motif_68 (0.999)
fragment_117.2850 7.0 motif_68 (0.992)
loss_196.0350 7.0 motif_68 (1.000)
fragment_101.0450 7.0 motif_51 (0.227)
motif_68 (0.773)
fragment_665.2650 6.0 motif_68 (0.999)
fragment_641.1450 4.0 motif_68 (0.999)
fragment_681.1150 3.0 motif_68 (0.999)
fragment_488.9950 1.0 motif_68 (0.997)
fragment_420.9950 1.0 motif_68 (0.995)
fragment_765.0650 1.0 motif_68 (0.995)