LDB_440_Dihydromuronic acid -- LDB_440_Dihydromuronic acid

Return to experiment 200421_LDB_POS_04
Resolver: mzspec:MS2LDA:TASK-1281:accession:1706484

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 0.526 0.776 38 spectra, 16 molecules, 3 classes: 75.0% Paraconic acids, 18.8% Acids, 6.2% Terpenoids : Triterpenes
motif_92 0.231 0.473 15 spectra, 6 molecules, 3 classes: 66.7% Paraconic acids, 16.7% Acids, 16.7% Pulvinic Acid Derivatives
motif_85 0.166 0.739 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_95.0850 1000.0 motif_49 (0.992)
  • CCCCCCC
fragment_81.0750 641.0 motif_49 (0.999)
  • CCCCCC
fragment_109.1050 527.0 motif_49 (1.000)
  • CCCCCCCC
fragment_305.2450 510.0 motif_92 (1.000)
  • CC(=O)CCCCCCCCCCCCCCCC(C)C=O
loss_64.0150 510.0 motif_85 (1.000)
  • O.O=CO
fragment_67.0550 385.0 motif_49 (1.000)
loss_18.0150 291.0 motif_53 (0.971)
motif_49 (0.026)
  • O
fragment_351.2550 291.0 motif_92 (1.000)
  • CC(=O)CCCCCCCCCCCCCC1OC(=O)C(C)C1C=O
fragment_83.0850 282.0 motif_49 (1.000)
  • CCCCCC
fragment_93.0750 258.0 motif_49 (0.874)
motif_92 (0.126)
fragment_277.2550 196.0 motif_92 (1.000)
  • CCCCCCCCCCCCCCCCCC(C)=O
loss_92.0150 196.0 motif_85 (0.996)
  • O=CO.O=CO
loss_36.0250 164.0 motif_53 (0.014)
motif_85 (0.972)
motif_68 (0.014)
  • O.O
fragment_333.2450 164.0 motif_49 (0.079)
motif_92 (0.921)
  • CC(=O)CCCCCCCCCCCCCCC(C=O)C(C)C=O
fragment_149.1350 158.0 motif_68 (0.998)
fragment_287.2350 85.0 motif_49 (0.029)
motif_92 (0.971)
loss_82.0250 85.0 motif_85 (1.000)
fragment_261.2550 29.0 motif_92 (0.999)
loss_108.0050 29.0 motif_92 (0.999)
loss_110.0550 23.0 motif_85 (1.000)
fragment_259.2050 23.0 motif_49 (0.037)
motif_92 (0.957)
fragment_259.2450 4.0 motif_49 (0.839)
motif_92 (0.161)
loss_110.0250 4.0 motif_49 (0.841)
motif_92 (0.159)