LDB_400_Nephrosteranic acid -- LDB_400_Nephrosteranic acid

Return to experiment 200421_LDB_POS_04
Resolver: mzspec:MS2LDA:TASK-1281:accession:1706505

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 0.464 0.547 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_55 0.382 0.767 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 0.154 0.642 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_281.2150 1000.0 motif_83 (1.000)
  • CCCCCCCCCCCC1OC(=O)C(C)C1C=O
fragment_235.2050 755.0 motif_83 (1.000)
  • CCCCCCCCCCCCCC(C)C=O
loss_81.0450 755.0 motif_55 (1.000)
fragment_217.1950 751.0 motif_83 (1.000)
loss_99.0550 751.0 motif_55 (1.000)
fragment_81.0750 569.0 motif_49 (0.707)
motif_83 (0.293)
  • CCCCCC
fragment_95.0850 565.0 motif_49 (0.744)
motif_83 (0.256)
  • CCCCCCC
fragment_263.2050 529.0 motif_83 (1.000)
  • CCCCCCCCCCCCC(C=O)C(C)C=O
loss_53.0450 529.0 motif_55 (1.000)
loss_17.0250 462.0 motif_55 (1.000)
fragment_299.2250 462.0 motif_83 (1.000)
  • CCCCCCCCCCCC1OC(=O)C(C)C1C(=O)O
fragment_109.1050 453.0 motif_49 (0.999)
  • CCCCCCCC
fragment_69.0750 395.0 motif_49 (0.364)
motif_83 (0.636)
  • CCCCC
fragment_189.1650 325.0 motif_83 (1.000)
loss_127.0850 325.0 motif_55 (1.000)
fragment_179.1750 324.0 motif_83 (1.000)
  • CCCCCCCCCCCCC
loss_137.0650 324.0 motif_55 (1.000)
fragment_83.0850 320.0 motif_49 (0.361)
motif_83 (0.638)
  • CCCCCC
fragment_67.0550 269.0 motif_49 (1.000)
  • CCCCC
fragment_253.2150 257.0 motif_83 (1.000)
  • CCCCCCCCCCCC1CC(C)C(=O)O1
loss_63.0350 257.0 motif_55 (1.000)
fragment_133.1050 231.0 motif_83 (1.000)
loss_183.1450 231.0 motif_55 (1.000)
fragment_123.1150 230.0 motif_49 (0.734)
motif_83 (0.265)
  • CCCCCCCCC
loss_193.1350 230.0 motif_83 (1.000)
fragment_147.1150 182.0 motif_83 (0.999)
loss_169.1350 182.0 motif_55 (0.999)
loss_71.0550 93.0 motif_55 (0.998)
fragment_245.1850 93.0 motif_55 (0.021)
motif_83 (0.979)