LDB_393_Salazinic acid -- LDB_393_Salazinic acid

Return to experiment 200421_LDB_POS_04
Resolver: mzspec:MS2LDA:TASK-1281:accession:1706224

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_22 0.939 0.598 7 spectra, 4 molecules, 3 classes: 50.0% Depsidones, 25.0% Polyols Monosaccharides Carbohydrates, 25.0% 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
fragment_325.0350 1000.0 motif_22 (1.000)
  • Cc1cc(O)c(C=O)c2Oc3cc(C=O)c(O)c(C)c3OC(=O)c12
loss_96.0450 1000.0 motif_22 (1.000)
fragment_299.0150 790.0 motif_22 (1.000)
  • O=Cc1c(O)ccc2C(=O)Oc3c(ccc(O)c3CO)Oc21
loss_122.0550 790.0 motif_22 (1.000)
loss_124.0350 446.0 motif_22 (0.991)
fragment_297.0350 446.0 motif_22 (1.000)
  • Cc1cc(O)c(C=O)c2Oc3ccc(O)c(C)c3OC(=O)c12
fragment_353.0250 398.0 motif_22 (1.000)
  • Cc1cc(O)c(C=O)c2Oc3c4COC(=O)c4cc(CO)c3OC(=O)c12
loss_68.0450 398.0 motif_22 (1.000)
loss_78.0350 312.0 motif_17 (1.000)
fragment_343.0450 312.0 motif_22 (1.000)
  • Cc1cc(O)c(C=O)c(c1)Oc1cc(CO)c(O)c2C(=O)OC(O)c12
fragment_179.0350 299.0 motif_22 (1.000)
  • Cc1cc(O)c(C=O)c(O)c1C=O
fragment_229.0450 174.0 motif_22 (1.000)
  • Ccc1cOc2c(C=O)ccc(C)c2C(=O)O1
loss_192.0250 174.0 motif_22 (1.000)
loss_36.0250 166.0 motif_22 (1.000)
  • O.O
fragment_385.0550 166.0 motif_22 (1.000)
fragment_371.0350 163.0 motif_22 (1.000)
  • Cc1cc(O)c(C=O)c2Oc3c4COC(=O)c4c(O)c(CO)c3OC(=O)c12
loss_50.0350 163.0 motif_17 (0.597)
motif_22 (0.403)
fragment_207.0250 115.0 motif_22 (1.000)
  • O=COc1cc2COC(=O)c2cc1CO
loss_18.0050 103.0 motif_30 (0.999)
fragment_403.0650 103.0 motif_22 (1.000)
loss_114.0550 91.0 motif_22 (1.000)
fragment_307.0250 91.0 motif_22 (1.000)
  • Cc1cc(C=O)cc2Oc3c(C=O)c(O)cc(C)c3C(=O)Oc12
fragment_243.0250 88.0 motif_22 (1.000)
  • Cc1ccc(C=O)c2Occ(cCO)OC(=O)c12
loss_178.0450 88.0 motif_22 (1.000)
fragment_195.0250 75.0 motif_22 (1.000)
  • O=C1OC(O)c2ccc(CO)c(O)c21
fragment_119.0150 71.0 motif_22 (1.000)
  • O=Cc1ccccc1O
loss_152.0350 64.0 motif_22 (1.000)
fragment_269.0450 64.0 motif_22 (1.000)
  • Cc1cc(O)cc2Oc3cccc(CO)c3OC(=O)c12
fragment_215.0350 63.0 motif_22 (1.000)
  • CccOC(=O)c1cc(C=O)c(O)cc1C
fragment_177.0150 59.0 motif_22 (0.938)
motif_30 (0.062)
  • Cc1cc(O)c(C=O)c(O)c1C=O
fragment_99.0050 56.0 motif_22 (1.000)
fragment_64.5450 20.0 motif_22 (1.000)
fragment_65.9350 20.0 motif_22 (1.000)
fragment_117.8550 19.0 motif_22 (1.000)
fragment_108.3850 19.0 motif_22 (1.000)
fragment_53.0450 19.0 motif_22 (1.000)
fragment_439.5350 17.0 motif_22 (1.000)
fragment_446.8850 17.0 motif_22 (1.000)