LDB_484_allo-Protolichesterinic acid -- LDB_484_allo-Protolichesterinic acid

Return to experiment 200421_LDB_POS_04
Resolver: mzspec:MS2LDA:TASK-1281:accession:1706346

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 0.642 0.411 10 spectra, 5 molecules, 3 classes: 60.0% Paraconic acids, 20.0% Dibenzofuranes, 20.0% Cleavage Products of Depsides and Depsidones
motif_53 0.196 0.980 117 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
motif_85 0.130 0.676 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
loss_18.0150 1000.0 motif_53 (1.000)
  • O
fragment_307.2250 1000.0 motif_15 (1.000)
  • C=C1C(=O)OC(CCCCCCCCCCCCC)C1C=O
fragment_289.2150 492.0 motif_15 (1.000)
  • C=C(C=O)C(C=O)CCCCCCCCCCCCCC
loss_36.0250 492.0 motif_53 (0.065)
motif_85 (0.865)
motif_15 (0.070)
  • O.O
loss_46.0050 177.0 motif_85 (0.076)
motif_65 (0.923)
  • O=CO
fragment_279.2350 177.0 motif_15 (1.000)
  • C=C1CC(CCCCCCCCCCCCC)OC1=O
loss_184.1850 153.0 motif_15 (1.000)
  • CCCCCCCCCCCC.O
fragment_141.0550 153.0 motif_15 (1.000)
  • C=C1C(=O)OC(C)C1C=O
loss_140.0650 152.0 motif_15 (1.000)
fragment_185.1750 152.0 motif_15 (1.000)
fragment_261.2250 124.0 motif_15 (1.000)
  • C=C(C=O)CCCCCCCCCCCCCCC
loss_64.0150 124.0 motif_85 (1.000)
  • O.O=CO
fragment_91.0550 116.0 motif_53 (0.053)
motif_85 (0.033)
motif_15 (0.915)
fragment_107.0750 94.0 motif_15 (1.000)
fragment_93.0650 91.0 motif_15 (0.999)
fragment_97.0950 79.0 motif_15 (1.000)
fragment_77.0350 78.0 motif_15 (0.943)
motif_65 (0.057)
fragment_167.0750 72.0 motif_15 (1.000)
loss_158.1650 72.0 motif_15 (1.000)
fragment_233.2150 69.0 motif_15 (1.000)
loss_92.0150 69.0 motif_85 (0.995)
fragment_79.0550 60.0 motif_85 (0.191)
motif_15 (0.809)
loss_148.1250 53.0 motif_15 (0.999)
fragment_177.1050 53.0 motif_15 (1.000)
fragment_243.8850 51.0 motif_15 (1.000)
loss_81.3550 51.0 motif_15 (1.000)
fragment_243.2050 42.0 motif_15 (0.999)
loss_82.0250 42.0 motif_85 (1.000)
fragment_343.2450 10.0 motif_15 (0.998)