LDB_259_allo-Protolichesterinic acid -- LDB_259_allo-Protolichesterinic acid

Return to experiment 200421_LDB_POS_04
Resolver: mzspec:MS2LDA:TASK-1281:accession:1706531

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_15 0.597 0.668 10 spectra, 5 molecules, 3 classes: 60.0% Paraconic acids, 20.0% Dibenzofuranes, 20.0% Cleavage Products of Depsides and Depsidones
motif_55 0.273 0.668 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 0.130 0.600 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_307.2250 1000.0 motif_15 (1.000)
  • C=C1C(=O)OC(CCCCCCCCCCCCC)C1C=O
fragment_289.2150 652.0 motif_15 (1.000)
  • C=C(C=O)C(C=O)CCCCCCCCCCCCCC
loss_53.0450 652.0 motif_55 (1.000)
fragment_243.2150 625.0 motif_15 (1.000)
loss_99.0550 625.0 motif_55 (1.000)
loss_109.0350 600.0 motif_15 (0.999)
fragment_233.2250 600.0 motif_15 (1.000)
  • C=CCCCCCCCCCCCCCCC
fragment_95.0850 591.0 motif_49 (0.869)
motif_15 (0.131)
  • CCCCCCC
fragment_135.1150 585.0 motif_15 (1.000)
fragment_261.2250 572.0 motif_15 (1.000)
  • C=C(C=O)CCCCCCCCCCCCCCC
loss_81.0450 572.0 motif_55 (1.000)
loss_17.0250 570.0 motif_55 (1.000)
fragment_325.2350 570.0 motif_15 (1.000)
  • C=C1C(=O)OC(CCCCCCCCCCCCC)C1C(=O)O
fragment_81.0750 555.0 motif_49 (1.000)
  • CCCCCC
fragment_121.1050 474.0 motif_15 (1.000)
fragment_83.0850 454.0 motif_49 (0.449)
motif_15 (0.549)
  • CCCCCC
fragment_93.0750 366.0 motif_49 (0.047)
motif_15 (0.953)
fragment_67.0550 337.0 motif_49 (1.000)
  • CCCCC
fragment_163.0750 308.0 motif_15 (1.000)
  • C=C1C(=O)OC(CCCC)C1C
loss_179.1850 308.0 motif_15 (1.000)
loss_193.2050 251.0 motif_15 (1.000)
fragment_149.0650 251.0 motif_15 (1.000)
  • C=C1COC(CCC)C1C=O