LDB_331_D-Mannitol -- LDB_331_D-Mannitol

Return to experiment 200421_LDB_POS_04
Resolver: mzspec:MS2LDA:TASK-1281:accession:1705998

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_52 0.885 0.179 7 spectra, 4 molecules, 4 classes: 25.0% Polyols Monosaccharides Carbohydrates, 25.0% Cleavage Products of Depsides and Depsidones, 25.0% Paraconic acids, 25.0% Depsidones
motif_55 0.106 0.407 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_131.0750 1000.0 motif_52 (1.000)
fragment_69.0350 1000.0 motif_52 (1.000)
  • CCC(C)O
loss_71.0550 327.0 motif_52 (0.960)
motif_55 (0.039)
fragment_129.0550 327.0 motif_52 (1.000)
  • CC(O)CC(O)CCO
loss_53.0450 297.0 motif_55 (0.996)
fragment_147.0650 297.0 motif_52 (1.000)
  • CC(O)C(O)CC(O)CO
loss_89.0650 205.0 motif_52 (1.000)
fragment_111.0450 205.0 motif_52 (1.000)
  • CC(O)CCCCO
loss_35.0350 191.0 motif_31 (0.014)
motif_55 (0.985)
loss_117.0650 191.0 motif_52 (0.999)
fragment_83.0550 191.0 motif_52 (1.000)
fragment_165.0750 191.0 motif_52 (1.000)
  • OCC(O)CC(O)C(O)CO
loss_101.0650 185.0 motif_52 (1.000)
fragment_99.0450 185.0 motif_52 (1.000)
  • OCCCCCO
loss_115.0850 177.0 motif_52 (1.000)
fragment_85.0250 177.0 motif_52 (1.000)
  • CC(O)CCO
loss_17.0250 151.0 motif_31 (0.343)
motif_55 (0.657)
fragment_183.0850 151.0 motif_52 (1.000)
  • OCC(O)C(O)C(O)C(O)CO
fragment_61.0250 91.0 motif_52 (1.000)
  • OCCO
loss_139.0850 91.0 motif_52 (1.000)
loss_23.7250 10.0 motif_52 (0.999)
fragment_176.3950 10.0 motif_52 (0.999)