LDB_412_allo-Protolichesterinic acid -- LDB_412_allo-Protolichesterinic acid

Return to experiment 200421_LDB_POS_04
Resolver: mzspec:MS2LDA:TASK-1281:accession:1706384

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 0.526 0.591 10 spectra, 5 molecules, 3 classes: 60.0% Paraconic acids, 20.0% Dibenzofuranes, 20.0% Cleavage Products of Depsides and Depsidones
motif_49 0.273 0.631 38 spectra, 16 molecules, 3 classes: 75.0% Paraconic acids, 18.8% Acids, 6.2% Terpenoids : Triterpenes
motif_85 0.152 0.713 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
fragment_81.0750 1000.0 motif_49 (1.000)
  • CCCCCC
fragment_95.0850 819.0 motif_49 (0.940)
motif_15 (0.059)
  • CCCCCCC
fragment_93.0750 744.0 motif_49 (0.105)
motif_15 (0.895)
fragment_69.0750 690.0 motif_49 (0.573)
motif_15 (0.427)
  • CCCCC
fragment_121.1050 661.0 motif_15 (1.000)
fragment_67.0550 612.0 motif_49 (1.000)
  • CCCCC
fragment_289.2150 537.0 motif_15 (1.000)
  • C=C(C=O)C(C=O)CCCCCCCCCCCCCC
loss_36.0250 537.0 motif_53 (0.015)
motif_85 (0.932)
motif_15 (0.053)
  • O.O
loss_18.0150 527.0 motif_53 (0.986)
motif_49 (0.013)
  • O
fragment_307.2250 527.0 motif_15 (1.000)
  • C=C1C(=O)OC(CCCCCCCCCCCCC)C1C=O
fragment_135.1150 526.0 motif_15 (1.000)
loss_190.1250 526.0 motif_15 (1.000)
fragment_233.2250 366.0 motif_15 (1.000)
  • C=CCCCCCCCCCCCCCCC
loss_92.0150 366.0 motif_85 (0.996)
  • O=CO.O=CO
fragment_243.2150 323.0 motif_15 (1.000)
loss_82.0250 323.0 motif_85 (1.000)
fragment_163.0750 309.0 motif_15 (1.000)
  • C=C1C(=O)OC(CCCC)C1C
loss_162.1650 309.0 motif_15 (0.999)
  • CCCCCCCCC.O.O
fragment_261.2250 308.0 motif_15 (1.000)
  • C=C(C=O)CCCCCCCCCCCCCCC
loss_64.0150 308.0 motif_85 (1.000)
  • O.O=CO
fragment_271.2050 128.0 motif_15 (0.999)
loss_54.0350 128.0 motif_49 (0.162)
motif_85 (0.837)