LDB_146_Neodihydroprotolichesterinic acid -- LDB_146_Neodihydroprotolichesterinic acid

Return to experiment 200421_LDB_POS_04
Resolver: mzspec:MS2LDA:TASK-1281:accession:1706387

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_67 0.482 0.693 16 spectra, 6 molecules, 4 classes: 50.0% Paraconic acids, 16.7% Terpenoids : Diterpenes, 16.7% Acids, 16.7% Terpenoids : Triterpenes
motif_55 0.381 0.782 22 spectra, 22 molecules, 7 classes: 54.5% Paraconic acids, 22.7% Depsidones, 4.5% Diphenylethers, 4.5% Polyols Monosaccharides Carbohydrates, 4.5% Dibenzofuranes, 4.5% Aliphatic and Cycloaliphatic Compounds, 4.5% Quinones
motif_49 0.137 0.499 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
loss_35.0350 1000.0 motif_55 (1.000)
fragment_309.2450 1000.0 motif_67 (1.000)
  • CC1C(=O)OC(CCCCCCCCCC(C)(C)C)C1C=O
loss_81.0450 927.0 motif_55 (1.000)
fragment_263.2350 927.0 motif_67 (1.000)
  • CC(C=O)CCCCCCCCCCCC(C)(C)C
fragment_81.0750 922.0 motif_49 (0.558)
motif_67 (0.442)
  • CCCCCC
fragment_95.0850 812.0 motif_49 (0.563)
motif_67 (0.437)
  • CCCCCCC
fragment_245.2250 691.0 motif_67 (1.000)
loss_99.0550 691.0 motif_55 (1.000)
fragment_291.2350 551.0 motif_67 (1.000)
  • CC(C=O)C(C=O)CCCCCCCCCCC(C)(C)C
loss_53.0450 551.0 motif_55 (1.000)
loss_17.0250 517.0 motif_55 (1.000)
fragment_327.2550 517.0 motif_67 (0.923)
motif_55 (0.077)
  • CC1C(=O)OC(CCCCCCCCCC(C)(C)C)C1C(=O)O
fragment_69.0750 465.0 motif_49 (0.276)
motif_67 (0.724)
  • CCCCC
fragment_67.0550 432.0 motif_49 (1.000)
  • CCCCC
fragment_109.1050 428.0 motif_49 (0.507)
motif_67 (0.493)
  • CCCCCCCC
fragment_83.0850 423.0 motif_49 (0.454)
motif_67 (0.544)
  • CCCCCC
loss_197.1650 404.0 motif_55 (1.000)
fragment_147.1150 404.0 motif_67 (1.000)
fragment_57.0750 332.0 motif_55 (0.999)
  • CC(C)C
fragment_133.1050 298.0 motif_67 (1.000)
fragment_207.2050 285.0 motif_67 (0.999)
  • CCCCCCCCCCCC(C)(C)C
loss_137.0750 285.0 motif_55 (1.000)
fragment_217.1950 221.0 motif_67 (1.000)
loss_127.0850 221.0 motif_55 (1.000)
fragment_161.1350 214.0 motif_67 (1.000)
loss_183.1450 214.0 motif_55 (1.000)
loss_63.0350 196.0 motif_55 (1.000)
fragment_281.2450 196.0 motif_67 (1.000)
  • CC1CC(CCCCCCCCCC(C)(C)C)OC1=O