LDB_160_Roccellaric acid -- LDB_160_Roccellaric acid

Return to experiment 200421_LDB_POS_04
Resolver: mzspec:MS2LDA:TASK-1281:accession:1706569

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_85 0.433 0.828 29 spectra, 19 molecules, 6 classes: 68.4% Paraconic acids, 10.5% Depsidones, 5.3% Acids, 5.3% Cleavage Products of Depsides and Depsidones, 5.3% Depsides (Didepsides), 5.3% Quinones
motif_67 0.352 0.538 16 spectra, 6 molecules, 4 classes: 50.0% Paraconic acids, 16.7% Terpenoids : Diterpenes, 16.7% Acids, 16.7% Terpenoids : Triterpenes
motif_49 0.187 0.446 38 spectra, 16 molecules, 3 classes: 75.0% Paraconic acids, 18.8% Acids, 6.2% Terpenoids : Triterpenes

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_95.0850 1000.0 motif_49 (0.706)
motif_67 (0.294)
  • CCCCCCC
fragment_81.0650 814.0 motif_85 (1.000)
  • CCCCCC
loss_82.0250 658.0 motif_85 (1.000)
fragment_245.2250 658.0 motif_67 (1.000)
fragment_69.0750 579.0 motif_49 (0.415)
motif_67 (0.584)
  • CCCCC
fragment_263.2350 540.0 motif_67 (1.000)
loss_64.0150 540.0 motif_85 (1.000)
fragment_83.0850 461.0 motif_49 (0.608)
motif_67 (0.391)
  • CCCCCC
fragment_109.1050 461.0 motif_49 (0.657)
motif_67 (0.343)
  • CCCCCCCC
loss_36.0250 458.0 motif_85 (0.997)
fragment_291.2250 458.0 motif_85 (1.000)
fragment_67.0550 407.0 motif_49 (1.000)
  • CCCCC
fragment_133.1050 337.0 motif_67 (0.999)
loss_194.1550 337.0 motif_85 (1.000)
loss_18.0150 303.0 motif_53 (0.983)
motif_49 (0.016)
fragment_309.2450 303.0 motif_67 (1.000)
loss_180.1350 294.0 motif_85 (1.000)
fragment_147.1150 294.0 motif_67 (1.000)
fragment_207.2050 291.0 motif_67 (0.999)
loss_120.0450 291.0 motif_85 (1.000)
fragment_217.1950 198.0 motif_67 (1.000)
loss_110.0550 198.0 motif_85 (1.000)
fragment_205.1950 108.0 motif_85 (0.999)
loss_122.0650 108.0 motif_85 (0.999)
fragment_273.2150 88.0 motif_85 (0.999)
loss_54.0350 88.0 motif_49 (0.044)
motif_85 (0.956)
loss_46.0050 70.0 motif_85 (1.000)
  • O=CO
fragment_281.2450 70.0 motif_67 (1.000)
  • CCCCCCCCCCCCCC1CC(C)C(=O)O1