LDB_478_Physodalic acid -- LDB_478_Physodalic acid

Return to experiment 200421_LDB_NEG_07
Resolver: mzspec:MS2LDA:TASK-1282:accession:1706973

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 0.604 0.199 6 spectra, 3 molecules, 2 classes: 66.7% Depsidones, 33.3% Diphenylethers
motif_71 0.311 0.495 13 spectra, 6 molecules, 2 classes: 83.3% Depsidones, 16.7% Quinones
motif_12 0.084 0.694 28 spectra, 17 molecules, 7 classes: 29.4% Cleavage Products of Depsides and Depsidones, 23.5% Depsidones, 11.8% Quinones, 11.8% Dibenzofuranes, 11.8% Paraconic acids, 5.9% Pulvinic Acid Derivatives, 5.9% Xanthones and bis-Xanthones

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_60.0150 1000.0 motif_71 (0.014)
motif_27 (0.986)
fragment_355.0450 1000.0 motif_71 (1.000)
  • Cc1cc(O)c(C=O)c2Oc3c(C)c(C(=O)O)c(O)c(C)c3OC(=O)c12
fragment_311.0550 904.0 motif_71 (1.000)
  • Cc1cc(O)c(C)c2OC(=O)c3c(C)cc(O)c(C=O)c3Oc12
loss_104.0050 904.0 motif_27 (1.000)
loss_102.9950 720.0 motif_27 (1.000)
fragment_312.0650 720.0 motif_27 (1.000)
loss_59.0150 698.0 motif_12 (0.977)
motif_27 (0.023)
fragment_356.0550 698.0 motif_27 (1.000)
fragment_283.0650 227.0 motif_71 (1.000)
  • Cc1cc(O)c(C)c2OC(=O)c3c(C)cc(O)cc3Oc12
loss_132.0050 227.0 motif_71 (0.723)
motif_27 (0.277)
  • C=O.CC(=O)O.O=CO
fragment_284.0650 125.0 motif_27 (0.999)
  • Cc1cc(O)c(C)c2OC(=O)c3c(C)cc(O)cc3Oc12
loss_130.9950 125.0 motif_27 (0.999)
  • C=O.CC(=O)O.O=CO
loss_59.9050 99.0 motif_27 (0.999)
fragment_355.1650 99.0 motif_27 (0.999)
loss_174.9950 98.0 motif_27 (0.999)
fragment_240.0750 98.0 motif_27 (0.999)
loss_175.9950 90.0 motif_71 (0.999)
fragment_239.0750 90.0 motif_71 (1.000)
fragment_256.0650 55.0 motif_27 (0.999)
loss_158.9950 55.0 motif_27 (0.994)
fragment_69.0050 20.0 motif_71 (0.987)
motif_27 (0.012)
fragment_149.0250 11.0 motif_71 (0.997)
fragment_151.0450 10.0 motif_27 (0.994)
fragment_150.0350 7.0 motif_27 (0.992)
fragment_514.9950 5.0 motif_27 (0.988)
fragment_123.0450 4.0 motif_27 (0.053)
motif_99 (0.938)
fragment_70.0050 4.0 motif_71 (0.011)
motif_27 (0.986)
  • O=CccO
fragment_559.9850 3.0 motif_71 (0.015)
motif_27 (0.981)
fragment_515.9850 1.0 motif_71 (0.041)
motif_12 (0.011)
motif_27 (0.948)
fragment_497.9950 1.0 motif_71 (0.041)
motif_12 (0.011)
motif_27 (0.948)
fragment_560.9950 1.0 motif_71 (0.041)
motif_12 (0.011)
motif_27 (0.948)