LDB_342_Murolic acid -- LDB_342_Murolic acid

Return to experiment 200421_LDB_POS_04
Resolver: mzspec:MS2LDA:TASK-1281:accession:1706335

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_49 0.898 0.895 38 spectra, 16 molecules, 3 classes: 75.0% Paraconic acids, 18.8% Acids, 6.2% Terpenoids : Triterpenes
motif_92 0.053 0.386 15 spectra, 6 molecules, 3 classes: 66.7% Paraconic acids, 16.7% Acids, 16.7% Pulvinic Acid Derivatives

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_95.0850 1000.0 motif_49 (0.999)
  • CCCCCCC
fragment_81.0750 990.0 motif_49 (1.000)
  • CCCCCC
fragment_109.1050 795.0 motif_49 (1.000)
  • CCCCCCCC
fragment_69.0750 654.0 motif_49 (1.000)
  • CCCCC
fragment_221.2250 633.0 motif_49 (1.000)
  • CCCCCCCCCCCCCCCC
loss_148.0350 633.0 motif_49 (1.000)
  • C=C(CC(=O)O)C(=O)O.O
fragment_83.0850 450.0 motif_49 (1.000)
  • CCCCCC
fragment_123.1150 449.0 motif_49 (0.980)
motif_92 (0.020)
  • CCCCCCCCC
fragment_67.0550 410.0 motif_49 (1.000)
  • CCCCC
fragment_137.1350 318.0 motif_49 (1.000)
  • CCCCCCCCCC
fragment_151.1450 288.0 motif_49 (1.000)
  • CCCCCCCCCCC
fragment_165.1650 216.0 motif_49 (1.000)
  • CCCCCCCCCCCC
loss_54.0350 187.0 motif_49 (0.664)
motif_85 (0.335)
  • O.O.O
fragment_315.2350 187.0 motif_49 (0.739)
motif_92 (0.261)
  • C=C(C=O)C(C=O)CCCCCCCCCCCCCCCC
loss_36.0250 165.0 motif_85 (1.000)
  • O.O
fragment_333.2450 165.0 motif_49 (0.390)
motif_92 (0.610)
  • C=C1C(=O)OC(CCCCCCCCCCCCCCC)C1C=O
fragment_217.1250 149.0 motif_49 (1.000)
  • C=C(C=O)C(C=O)CCCCCCCCC
loss_152.1450 149.0 motif_49 (1.000)
  • CCCCCC(C)O.O.O
fragment_259.2450 144.0 motif_49 (0.975)
motif_92 (0.025)
  • C=CCCCCCCCCCCCCCCCCC
loss_110.0250 144.0 motif_49 (0.975)
motif_92 (0.025)
  • O.O=CO.O=CO
fragment_249.1450 133.0 motif_49 (1.000)
  • C=C1C(=O)OC(CCCCCCCCC)C1C=O
loss_120.1150 133.0 motif_49 (1.000)
  • CCCCC(C)O.O
loss_18.0150 117.0 motif_49 (0.999)
  • O
fragment_351.2550 117.0 motif_92 (1.000)
  • C=C1C(=O)OC(CCCCCCCCCCCCCC(C)O)C1C=O
fragment_305.2450 109.0 motif_92 (1.000)
  • C=C1CC(CCCCCCCCCCCCCCC)OC1=O
loss_64.0150 109.0 motif_85 (1.000)
  • O.O=CO
fragment_287.2350 106.0 motif_49 (0.181)
motif_92 (0.819)
  • C=C(C=O)CCCCCCCCCCCCCCCCC
loss_82.0250 106.0 motif_85 (0.999)
  • O.O.O=CO