LDB_231_Dihydromuronic acid -- LDB_231_Dihydromuronic acid

Return to experiment 200421_LDB_POS_04
Resolver: mzspec:MS2LDA:TASK-1281:accession:1706248

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 0.310 0.776 38 spectra, 16 molecules, 3 classes: 75.0% Paraconic acids, 18.8% Acids, 6.2% Terpenoids : Triterpenes
motif_90 0.236 0.210 11 spectra, 9 molecules, 6 classes: 44.4% Paraconic acids, 11.1% Xanthones and bis-Xanthones, 11.1% Depsides (Didepsides), 11.1% Quinones, 11.1% Pulvinic Acid Derivatives, 11.1% Depsidones
motif_31 0.183 0.471 32 spectra, 27 molecules, 9 classes: 29.6% Paraconic acids, 22.2% Pulvinic Acid Derivatives, 18.5% Depsidones, 7.4% Terpenoids : Triterpenes, 7.4% Quinones, 3.7% Dibenzofuranes, 3.7% N-Containing Compounds, 3.7% Aliphatic and Cycloaliphatic Compounds, 3.7%
motif_92 0.154 0.490 15 spectra, 6 molecules, 3 classes: 66.7% Paraconic acids, 16.7% Acids, 16.7% Pulvinic Acid Derivatives
motif_55 0.118 0.522 22 spectra, 22 molecules, 7 classes: 54.5% Paraconic acids, 22.7% Depsidones, 4.5% Diphenylethers, 4.5% Polyols Monosaccharides Carbohydrates, 4.5% Dibenzofuranes, 4.5% Aliphatic and Cycloaliphatic Compounds, 4.5% 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_17.0250 1000.0 motif_31 (0.897)
motif_55 (0.103)
fragment_369.2650 1000.0 motif_90 (1.000)
  • CC(=O)CCCCCCCCCCCCCC1OC(=O)C(C)C1C(=O)O
fragment_95.0850 555.0 motif_49 (0.987)
  • CCCCCCC
fragment_81.0750 431.0 motif_49 (0.997)
  • CCCCCC
fragment_109.1050 278.0 motif_49 (0.999)
  • CCCCCCCC
fragment_305.2450 273.0 motif_92 (1.000)
  • CC(=O)CCCCCCCCCCCCCCCC(C)C=O
loss_81.0450 273.0 motif_31 (0.100)
motif_55 (0.899)
fragment_67.0550 164.0 motif_49 (1.000)
  • CCCCC
loss_35.0350 154.0 motif_31 (0.197)
motif_55 (0.803)
fragment_351.2550 154.0 motif_92 (1.000)
  • CC(=O)CCCCCCCCCCCCCC1OC(=O)C(C)C1C=O
fragment_83.0850 147.0 motif_49 (0.999)
  • CCCCCC
loss_109.0350 121.0 motif_31 (0.037)
motif_90 (0.963)
fragment_277.2550 121.0 motif_92 (0.995)
  • CCCCCCCCCCCCCCCCCC(C)=O
fragment_135.1150 115.0 motif_31 (0.106)
motif_92 (0.658)
motif_90 (0.235)
fragment_123.1150 111.0 motif_49 (0.810)
motif_31 (0.049)
motif_92 (0.138)
  • CCCCCCCCC
loss_53.0450 97.0 motif_31 (0.040)
motif_55 (0.960)
fragment_333.2450 97.0 motif_49 (0.070)
motif_92 (0.924)
  • CC(=O)CCCCCCCCCCCCCCC(C=O)C(C)C=O
fragment_55.0550 72.0 motif_90 (0.996)
fragment_287.2350 66.0 motif_49 (0.026)
motif_92 (0.974)
loss_99.0550 66.0 motif_55 (1.000)
fragment_315.2350 50.0 motif_49 (0.193)
motif_92 (0.573)
motif_90 (0.235)
loss_71.0550 50.0 motif_31 (0.048)
motif_55 (0.131)
motif_90 (0.821)
loss_125.0350 5.0 motif_49 (0.011)
motif_31 (0.015)
motif_92 (0.016)
motif_90 (0.951)
fragment_261.2550 5.0 motif_92 (0.997)