LDB_109_Isomurolic acid -- LDB_109_Isomurolic acid

Return to experiment 200421_LDB_POS_04
Resolver: mzspec:MS2LDA:TASK-1281:accession:1706150

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_57 0.750 0.132 9 spectra, 2 molecules, 2 classes: 50.0% N-Containing Compounds, 50.0% Paraconic acids
motif_49 0.147 0.520 38 spectra, 16 molecules, 3 classes: 75.0% Paraconic acids, 18.8% Acids, 6.2% Terpenoids : Triterpenes

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_155.0350 1000.0 motif_57 (1.000)
fragment_95.0850 354.0 motif_49 (0.996)
fragment_71.0850 300.0 motif_57 (0.995)
fragment_57.0750 285.0 motif_57 (1.000)
fragment_69.0750 284.0 motif_49 (0.995)
fragment_81.0750 273.0 motif_49 (0.998)
fragment_157.0550 211.0 motif_57 (1.000)
loss_130.1350 204.0 motif_57 (1.000)
fragment_239.1350 204.0 motif_57 (1.000)
fragment_305.2550 197.0 motif_57 (1.000)
loss_64.0150 197.0 motif_85 (0.999)
fragment_225.1150 185.0 motif_57 (1.000)
loss_144.1450 185.0 motif_57 (1.000)
loss_102.1050 177.0 motif_57 (1.000)
fragment_267.1650 177.0 motif_57 (1.000)
loss_116.1150 172.0 motif_57 (1.000)
fragment_253.1450 172.0 motif_57 (1.000)
loss_88.0850 171.0 motif_57 (1.000)
fragment_281.1750 171.0 motif_57 (1.000)
fragment_211.0950 151.0 motif_57 (1.000)
loss_158.1650 151.0 motif_57 (1.000)
fragment_133.1050 138.0 motif_57 (0.999)
fragment_207.1050 129.0 motif_42 (0.998)
loss_162.1650 129.0 motif_57 (0.996)
loss_18.0050 121.0 motif_30 (1.000)
fragment_351.2550 121.0 motif_92 (0.999)
loss_74.0750 118.0 motif_57 (1.000)
fragment_295.1950 118.0 motif_57 (1.000)
loss_36.0150 89.0 motif_57 (1.000)
fragment_333.2450 89.0 motif_49 (0.148)
motif_57 (0.019)
motif_92 (0.834)