LDB_523_Skyrin -- LDB_523_Skyrin

Return to experiment 200421_LDB_POS_04
Resolver: mzspec:MS2LDA:TASK-1281:accession:1706005

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_31 1.000 0.608 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%

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_563.1050 1000.0 motif_31 (1.000)
loss_17.0250 1000.0 motif_31 (1.000)
loss_87.0350 150.0 motif_31 (1.000)
fragment_493.0850 150.0 motif_31 (1.000)
  • Cc1ccc2C(=O)c3ccc(O)c(c3C(=O)c2c1)-c1c(O)cc(O)c2C(=O)c3c(O)cccc3C(=O)c21
fragment_517.0950 127.0 motif_31 (1.000)
loss_63.0350 127.0 motif_31 (1.000)
loss_35.0350 89.0 motif_31 (1.000)
fragment_545.0850 89.0 motif_31 (1.000)
loss_34.0450 53.0 motif_31 (1.000)
fragment_546.0850 53.0 motif_31 (1.000)
loss_101.0450 50.0 motif_31 (1.000)
fragment_479.0750 50.0 motif_31 (1.000)
  • O=C1c2ccccc2C(=O)c2c(ccc(O)c21)-c1c(O)cc(O)c2C(=O)c3c(O)cccc3C(=O)c21
fragment_241.0550 41.0 motif_31 (1.000)
loss_101.0150 36.0 motif_31 (1.000)
fragment_479.1150 36.0 motif_31 (1.000)
  • Cc1ccc(C(=O)c2cc(ccc2O)-c2ccc(O)c3C(=O)c4c(O)cc(C)cc4C(=O)c23)c(O)c1
loss_105.0550 33.0 motif_31 (1.000)
fragment_475.0750 33.0 motif_31 (1.000)
fragment_213.0550 32.0 motif_31 (1.000)
fragment_297.0350 30.0 motif_31 (1.000)
fragment_283.0650 27.0 motif_31 (1.000)
fragment_416.3250 25.0 motif_31 (1.000)
loss_163.8050 25.0 motif_31 (1.000)