LDB_310_Nephrosteranic acid -- LDB_310_Nephrosteranic acid

Return to experiment 200421_LDB_POS_04
Resolver: mzspec:MS2LDA:TASK-1281:accession:1706313

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_83 0.475 0.535 14 spectra, 6 molecules, 5 classes: 33.3% Paraconic acids, 16.7% Acids, 16.7% Chromanes and Chromones, 16.7% Pulvinic Acid Derivatives, 16.7% Depsidones
motif_49 0.276 0.687 38 spectra, 16 molecules, 3 classes: 75.0% Paraconic acids, 18.8% Acids, 6.2% Terpenoids : Triterpenes
motif_85 0.225 0.697 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

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_81.0750 1000.0 motif_49 (0.809)
motif_83 (0.190)
  • CCCCCC
fragment_95.0850 945.0 motif_49 (0.836)
motif_83 (0.164)
  • CCCCCCC
fragment_217.1950 804.0 motif_83 (1.000)
loss_82.0250 804.0 motif_85 (1.000)
loss_64.0150 681.0 motif_85 (1.000)
  • O.O=CO
fragment_235.2050 681.0 motif_83 (1.000)
  • CCCCCCCCCCCCCC(C)C=O
fragment_69.0750 576.0 motif_49 (0.502)
motif_83 (0.498)
  • CCCCC
fragment_67.0550 528.0 motif_49 (1.000)
  • CCCCC
loss_190.1250 527.0 motif_83 (0.999)
fragment_109.1050 527.0 motif_49 (1.000)
  • CCCCCCCC
fragment_83.0850 517.0 motif_49 (0.499)
motif_83 (0.501)
  • CCCCCC
fragment_263.2050 394.0 motif_83 (1.000)
  • CCCCCCCCCCCCC(C=O)C(C)C=O
loss_36.0250 394.0 motif_85 (0.846)
motif_83 (0.149)
  • O.O
fragment_133.1050 371.0 motif_83 (1.000)
loss_166.1250 371.0 motif_85 (0.052)
motif_83 (0.948)
loss_120.0450 332.0 motif_85 (1.000)
  • CCC(=O)O.O=CO
fragment_179.1750 332.0 motif_83 (1.000)
  • CCCCCCCCCCCCC
fragment_189.1650 310.0 motif_83 (1.000)
loss_110.0550 310.0 motif_85 (0.998)
fragment_147.1150 298.0 motif_83 (1.000)
loss_152.1050 298.0 motif_85 (0.387)
motif_83 (0.613)
loss_18.0150 288.0 motif_53 (0.972)
motif_49 (0.028)
  • O
fragment_281.2150 288.0 motif_83 (1.000)
  • CCCCCCCCCCCC1OC(=O)C(C)C1C=O
fragment_245.1950 24.0 motif_83 (1.000)
loss_54.0350 24.0 motif_49 (0.085)
motif_85 (0.642)
motif_83 (0.273)