LDB_237_Lichesterinic acid -- LDB_237_Lichesterinic acid

Return to experiment 200421_LDB_POS_04
Resolver: mzspec:MS2LDA:TASK-1281:accession:1706396

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_0 0.700 0.340 4 spectra, 4 molecules, 3 classes: 50.0% Paraconic acids, 25.0% Xanthones and bis-Xanthones, 25.0% Depsidones
motif_15 0.190 0.399 10 spectra, 5 molecules, 3 classes: 60.0% Paraconic acids, 20.0% Dibenzofuranes, 20.0% Cleavage Products of Depsides and Depsidones
motif_85 0.059 0.562 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
motif_53 0.051 0.979 117 spectra, 76 molecules, 13 classes: 18.4% Paraconic acids, 17.1% Depsidones, 15.8% Quinones, 14.5% Cleavage Products of Depsides and Depsidones, 10.5% Terpenoids : Triterpenes, 6.6% Dibenzofuranes, 5.3% Acids, 3.9% Depsides (Didepsides), 2.6% Xanthones

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_69.0750 1000.0 motif_15 (0.095)
motif_0 (0.905)
  • CCCCC
fragment_83.0850 612.0 motif_15 (0.046)
motif_0 (0.954)
  • CCCCCC
fragment_97.1050 593.0 motif_15 (0.021)
motif_0 (0.979)
  • CCCCCCC
fragment_57.0750 503.0 motif_15 (0.022)
motif_0 (0.978)
fragment_55.0550 479.0 motif_0 (1.000)
loss_184.1850 386.0 motif_15 (0.212)
motif_0 (0.788)
  • CCCCCCCCCCCC.O
fragment_141.0550 386.0 motif_15 (0.266)
motif_0 (0.734)
  • CC1C(=O)OC(C)C=1C=O
loss_18.0150 383.0 motif_53 (1.000)
fragment_307.2250 383.0 motif_15 (1.000)
  • CCCCCCCCCCCCCC1OC(=O)C(C)=C1C=O
fragment_71.0850 375.0 motif_0 (1.000)
  • CCCCC
fragment_107.0850 339.0 motif_15 (0.071)
motif_0 (0.929)
fragment_289.2150 321.0 motif_15 (1.000)
  • CCCCCCCCCCCCCCC(C=O)=C(C)C=O
loss_36.0250 321.0 motif_53 (0.015)
motif_85 (0.356)
motif_15 (0.019)
motif_0 (0.610)
fragment_121.1050 278.0 motif_15 (0.322)
motif_0 (0.678)
loss_170.1650 177.0 motif_0 (1.000)
  • CCCCCCCCCCC.O
fragment_155.0750 177.0 motif_0 (1.000)
  • CCC1OC(=O)C(C)=C1C=O
fragment_261.2250 138.0 motif_15 (0.999)
  • CCCCCCCCCCCCCCC=C(C)C=O
loss_64.0150 138.0 motif_85 (1.000)
  • O.O=CO
loss_134.1350 123.0 motif_0 (0.999)
  • CCCCCCC.O.O
fragment_191.1050 123.0 motif_0 (1.000)
  • CCCCCCC1OCC(C)=C1C=O
fragment_243.2150 101.0 motif_15 (0.552)
motif_0 (0.448)
fragment_233.2250 101.0 motif_15 (1.000)
  • CC=CCCCCCCCCCCCCCC
loss_92.0150 101.0 motif_85 (0.993)
  • O=CO.O=CO
loss_82.0250 101.0 motif_85 (0.999)