LDB_414_Roccellaric acid -- LDB_414_Roccellaric acid

Return to experiment 200421_LDB_POS_04
Resolver: mzspec:MS2LDA:TASK-1281:accession:1706377

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_9 0.579 0.280 3 spectra, 3 molecules, 2 classes: 66.7% Chromanes and Chromones, 33.3% Paraconic acids
motif_67 0.292 0.379 16 spectra, 6 molecules, 4 classes: 50.0% Paraconic acids, 16.7% Terpenoids : Diterpenes, 16.7% Acids, 16.7% Terpenoids : Triterpenes
motif_49 0.130 0.399 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 (0.668)
motif_67 (0.332)
  • CCCCCCC
fragment_81.0650 909.0 motif_9 (1.000)
  • CCCCCC
loss_105.0450 870.0 motif_9 (1.000)
fragment_263.2350 870.0 motif_67 (1.000)
loss_123.0550 669.0 motif_9 (1.000)
fragment_245.2250 669.0 motif_67 (1.000)
fragment_309.2350 615.0 motif_9 (1.000)
loss_59.0450 615.0 motif_9 (1.000)
loss_77.0550 538.0 motif_9 (1.000)
fragment_291.2250 538.0 motif_9 (1.000)
fragment_109.1050 506.0 motif_49 (0.616)
motif_67 (0.384)
  • CCCCCCCC
fragment_69.0750 481.0 motif_49 (0.373)
motif_67 (0.627)
fragment_67.0550 448.0 motif_49 (1.000)
  • CCCCC
fragment_97.1050 407.0 motif_67 (0.378)
motif_9 (0.622)
  • CCCCCCC
loss_87.0350 381.0 motif_9 (1.000)
fragment_281.2450 381.0 motif_67 (0.995)
loss_161.0750 378.0 motif_9 (1.000)
fragment_207.2050 378.0 motif_67 (0.442)
motif_9 (0.558)
fragment_133.0950 345.0 motif_9 (1.000)
fragment_147.1150 283.0 motif_67 (0.999)
loss_151.0850 263.0 motif_9 (1.000)
fragment_217.1950 263.0 motif_67 (0.999)
loss_41.0350 218.0 motif_9 (1.000)
fragment_327.2450 218.0 motif_9 (1.000)
fragment_273.2150 75.0 motif_9 (0.999)
loss_95.0650 75.0 motif_9 (1.000)