LDB_143_Constictic acid -- LDB_143_Constictic acid

Return to experiment 200421_LDB_POS_04
Resolver: mzspec:MS2LDA:TASK-1281:accession:1706218

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_41 0.679 0.570 10 spectra, 4 molecules, 1 class: 100.0% Depsidones
motif_55 0.308 0.527 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_81.0450 1000.0 motif_55 (1.000)
fragment_339.0550 1000.0 motif_41 (1.000)
  • Cc1ccc(C=O)c2Oc3c4COC(=O)c4c(O)c(C)c3OC(=O)c12
loss_35.0350 687.0 motif_55 (1.000)
fragment_385.0550 687.0 motif_41 (1.000)
  • COc1cc(C)c2C(=O)Oc3c(CO)c(O)c4C(=O)OCc4c3Oc2c1C=O
loss_107.0550 272.0 motif_41 (1.000)
fragment_313.0350 272.0 motif_41 (1.000)
  • Cc1cc(O)c(C=O)c2Oc3ccc(O)c(CO)c3OC(=O)c12
fragment_243.0650 245.0 motif_41 (1.000)
loss_177.0250 245.0 motif_41 (1.000)
fragment_311.0550 218.0 motif_41 (0.860)
motif_55 (0.140)
  • COc1cc(C)c2C(=O)Oc3c(cccc3Oc2c1C=O)CO
loss_109.0350 218.0 motif_41 (0.998)
loss_53.0450 176.0 motif_55 (1.000)
fragment_367.0450 176.0 motif_41 (1.000)
  • COc1cc(C)c2C(=O)Oc3c(cc4C(=O)OCc4c3Oc2c1C=O)CO
fragment_287.0550 107.0 motif_41 (0.996)
  • cc(CO)c1cOc2c(C=O)c(cc(C)c2C(=O)O1)OC
loss_133.0350 107.0 motif_41 (1.000)
loss_163.0450 71.0 motif_41 (0.999)
fragment_257.0450 71.0 motif_41 (1.000)
  • Ccc1cOc2c(C=O)c(cc(C)c2C(=O)O1)OC
fragment_357.0650 50.0 motif_41 (1.000)
loss_63.0350 50.0 motif_55 (1.000)
fragment_99.0050 48.0 motif_41 (1.000)
loss_50.0050 47.0 motif_41 (0.999)
fragment_231.0650 47.0 motif_41 (1.000)
fragment_370.0950 47.0 motif_41 (0.999)
loss_189.0250 47.0 motif_41 (0.999)
fragment_165.0550 42.0 motif_86 (0.992)
fragment_255.0650 31.0 motif_41 (0.010)
motif_5 (0.989)
loss_165.0250 31.0 motif_41 (0.999)
loss_193.0250 30.0 motif_41 (0.998)
fragment_229.0550 30.0 motif_41 (1.000)
loss_191.0450 30.0 motif_41 (0.999)
fragment_227.0750 30.0 motif_41 (0.858)
motif_5 (0.142)
loss_17.9750 26.0 motif_41 (0.999)
fragment_402.1150 26.0 motif_41 (0.999)
fragment_193.0550 22.0 motif_41 (1.000)
  • COc1cc(C)c(C=O)c(O)c1C=O
fragment_119.0150 22.0 motif_41 (0.999)
fragment_191.0350 17.0 motif_41 (1.000)
fragment_83.8050 15.0 motif_41 (0.998)
fragment_71.2150 15.0 motif_41 (0.998)
fragment_82.8750 14.0 motif_41 (0.997)
fragment_66.6450 14.0 motif_41 (0.997)
loss_30.9550 12.0 motif_41 (0.997)
fragment_389.1350 12.0 motif_41 (0.997)