LDB_714_Protolichesterinic acid -- LDB_714_Protolichesterinic acid

Return to experiment 200421_LDB_POS_04
Resolver: mzspec:MS2LDA:TASK-1281:accession:1706549

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 0.615 0.554 10 spectra, 5 molecules, 3 classes: 60.0% Paraconic acids, 20.0% Dibenzofuranes, 20.0% Cleavage Products of Depsides and Depsidones
motif_53 0.218 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 0.145 0.688 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 450.0 motif_15 (1.000)
  • C=C(C=O)C(C=O)CCCCCCCCCCCCCC
loss_36.0250 450.0 motif_53 (0.066)
motif_85 (0.873)
motif_15 (0.061)
  • O.O
fragment_91.0550 120.0 motif_53 (0.060)
motif_85 (0.037)
motif_15 (0.902)
loss_46.0050 114.0 motif_85 (0.118)
motif_65 (0.881)
  • O=CO
fragment_279.2350 114.0 motif_15 (1.000)
  • C=C1CC(CCCCCCCCCCCCC)OC1=O
fragment_93.0750 113.0 motif_15 (1.000)
fragment_107.0850 111.0 motif_15 (1.000)
fragment_261.2250 101.0 motif_15 (1.000)
  • C=C(C=O)CCCCCCCCCCCCCCC
loss_64.0150 101.0 motif_85 (1.000)
  • O.O=CO
loss_184.1850 81.0 motif_15 (1.000)
fragment_141.0550 81.0 motif_15 (1.000)
fragment_185.1950 75.0 motif_15 (0.999)
  • CCCCCCCCCCCCO
loss_140.0450 75.0 motif_15 (0.999)
  • C=C(C=O)CC(=O)O.CC
fragment_77.0350 73.0 motif_15 (0.958)
motif_65 (0.041)
fragment_121.0750 70.0 motif_15 (0.999)
fragment_79.0550 67.0 motif_85 (0.215)
motif_15 (0.785)
fragment_233.2250 65.0 motif_15 (1.000)
loss_92.0150 65.0 motif_85 (0.995)
fragment_167.0750 61.0 motif_15 (1.000)
loss_158.1650 61.0 motif_15 (1.000)
fragment_163.0750 56.0 motif_15 (1.000)
  • C=C1C(=O)OC(CCCC)C1C
loss_162.1650 56.0 motif_15 (0.999)
  • CCCCCCCCC.O.O
fragment_177.0950 50.0 motif_15 (1.000)
loss_148.1450 50.0 motif_85 (0.997)
fragment_243.2150 46.0 motif_15 (1.000)
loss_82.0250 46.0 motif_85 (1.000)