LDB_798_Lobariolcarboxylic acid (Lobarin) -- LDB_798_Lobariolcarboxylic acid (Lobarin)

Return to experiment 200421_LDB_NEG_07
Resolver: mzspec:MS2LDA:TASK-1282:accession:1706707

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_27 0.987 0.172 6 spectra, 3 molecules, 2 classes: 66.7% Depsidones, 33.3% Diphenylethers

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_61.9950 1000.0 motif_27 (1.000)
fragment_411.1750 1000.0 motif_27 (1.000)
loss_60.9950 581.0 motif_27 (1.000)
fragment_412.1850 581.0 motif_27 (1.000)
fragment_221.0850 288.0 motif_27 (1.000)
  • CCCCCc1cc(O)cc(O)c1C(=O)O
fragment_207.1050 120.0 motif_27 (1.000)
  • CCCCCc1cc(O)ccc1C(=O)O
loss_59.9850 78.0 motif_27 (1.000)
fragment_413.1950 78.0 motif_27 (1.000)
loss_146.0450 73.0 motif_27 (1.000)
fragment_327.1350 73.0 motif_27 (1.000)
fragment_221.9750 71.0 motif_27 (1.000)
fragment_383.1750 69.0 motif_27 (1.000)
loss_89.9950 69.0 motif_27 (1.000)
fragment_385.2050 58.0 motif_27 (1.000)
  • CCCCCc1cc(O)cc(O)c1Oc1cc(cc(c1)C(O)CCCC)OC
loss_87.9750 58.0 motif_94 (0.999)
  • O=CO.O=CO
loss_145.0550 27.0 motif_27 (1.000)
fragment_239.0950 27.0 motif_27 (1.000)
  • CCCCCc1c(O)c(O)cc(O)c1C(=O)O
fragment_328.1250 27.0 motif_27 (1.000)
loss_161.0550 25.0 motif_27 (1.000)
fragment_312.1250 25.0 motif_27 (1.000)
fragment_208.1050 24.0 motif_27 (1.000)
fragment_193.0850 19.0 motif_27 (1.000)
fragment_251.1050 17.0 motif_27 (1.000)
fragment_175.0850 17.0 motif_27 (1.000)
fragment_297.0850 13.0 motif_27 (1.000)
loss_176.0850 13.0 motif_27 (1.000)
loss_177.0750 12.0 motif_27 (1.000)
fragment_296.1050 12.0 motif_27 (1.000)
fragment_108.0250 5.0 motif_27 (1.000)
  • Oc1cccc(O)c1
fragment_137.0550 5.0 motif_27 (1.000)
loss_18.0150 4.0 motif_27 (1.000)
fragment_455.1650 4.0 motif_27 (1.000)
fragment_122.0750 4.0 motif_27 (1.000)
fragment_123.0350 3.0 motif_27 (1.000)