LDB_154_Physodic acid -- LDB_154_Physodic acid

Return to experiment 200421_LDB_NEG_07
Resolver: mzspec:MS2LDA:TASK-1282:accession:1706645

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_28 1.000 0.591 10 spectra, 3 molecules, 3 classes: 33.3% Cleavage Products of Depsides and Depsidones, 33.3% Depsidones, 33.3% Depsides (Didepsides)

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_425.1950 1000.0 motif_28 (1.000)
  • CCCCCC(=O)Cc1cc(O)cc2Oc3c(cc(O)cc3OC(=O)c12)CCCCC
fragment_383.1850 826.0 motif_28 (1.000)
  • CCCCCC(=O)Cc1cc(O)cc(c1)Oc1cccc(C(=O)O)c1CCC
fragment_381.2050 675.0 motif_28 (1.000)
  • CCCCCC(=O)Cc1cc(O)cc(c1)Oc1ccc(O)cc1CCCCC
fragment_469.1850 440.0 motif_28 (1.000)
  • CCCCCC(=O)Cc1cc(O)cc2c1C(=O)Oc1cc(O)c(C(=O)O)c(CCCCC)c1O2
fragment_283.1350 352.0 motif_28 (1.000)
fragment_324.1350 213.0 motif_28 (1.000)
  • CCCCCc1c(ccc2OCc3c(C)cccc3Oc21)C(=O)O
fragment_285.1150 146.0 motif_28 (1.000)
  • cc1cOc2cccc(CC(=O)CCCCC)c2C(=O)O1
fragment_357.2050 137.0 motif_28 (1.000)
  • CCCCCcc1cOC(=O)c2c(cc(O)cc2O1)CCCCCCC
fragment_247.0950 107.0 motif_28 (1.000)
  • CCCCCC(=O)Cc1cc(O)ccc1C(=O)O
fragment_310.1250 83.0 motif_28 (1.000)
  • CCCCCc1cccc2OC(=O)c3c(C)cc(O)cc3Oc12
fragment_282.1250 76.0 motif_28 (1.000)
  • CCCCCc1cccc2OCc3ccc(O)cc3Oc12
fragment_91.9850 74.0 motif_28 (1.000)
fragment_407.1850 66.0 motif_28 (1.000)
  • CCCCCC(=O)Cc1cccc2Oc3c(cc(O)cc3OC(=O)c12)CCCCC
fragment_149.0250 63.0 motif_28 (1.000)
  • Cc1cc(O)cc(O)c1C=O
fragment_133.1050 61.0 motif_28 (1.000)
fragment_226.0650 55.0 motif_28 (1.000)
  • CCCCCCCc1cccc(O)c1C(=O)O
fragment_259.1350 52.0 motif_28 (1.000)
  • ccOC(=O)c1ccccc1CC(=O)CCCCC
fragment_405.1650 51.0 motif_28 (1.000)
  • CCCCCC(=O)Cc1cccc2Oc3c(cc(O)cc3OC(=O)c12)CCCCC
fragment_491.1750 39.0 motif_28 (1.000)
fragment_451.1750 36.0 motif_28 (1.000)
  • CCCCCC(=O)Cc1cc(O)cc2Oc3c(ccc(C(=O)O)c3CCCCC)OC(=O)c12
fragment_123.0450 30.0 motif_28 (1.000)
fragment_218.0950 28.0 motif_28 (1.000)
fragment_642.8150 27.0 motif_28 (1.000)
fragment_162.5850 26.0 motif_28 (1.000)
loss_38.0550 25.0 motif_28 (1.000)
fragment_580.9050 25.0 motif_28 (1.000)
fragment_923.3150 25.0 motif_28 (1.000)
fragment_839.5350 24.0 motif_28 (1.000)
loss_121.8250 24.0 motif_28 (1.000)
fragment_92.1450 23.0 motif_28 (1.000)
fragment_166.8750 22.0 motif_28 (1.000)
loss_40.0650 22.0 motif_28 (1.000)
fragment_921.3050 22.0 motif_28 (1.000)
loss_117.4650 21.0 motif_28 (1.000)
fragment_843.8950 21.0 motif_28 (1.000)
fragment_732.9350 21.0 motif_28 (1.000)
fragment_70.0150 20.0 motif_28 (1.000)
fragment_701.1550 20.0 motif_28 (1.000)
fragment_470.3650 20.0 motif_28 (1.000)
fragment_775.1650 19.0 motif_28 (1.000)
fragment_733.4150 19.0 motif_28 (1.000)
loss_186.2050 19.0 motif_28 (1.000)
fragment_703.8450 19.0 motif_28 (1.000)
loss_166.2550 18.0 motif_28 (1.000)
fragment_795.1050 18.0 motif_28 (1.000)
fragment_67.5950 18.0 motif_28 (1.000)
fragment_512.1750 17.0 motif_28 (1.000)
fragment_637.2650 9.0 motif_28 (1.000)
fragment_583.0350 8.0 motif_28 (1.000)
fragment_643.3050 7.0 motif_28 (1.000)
fragment_614.0150 7.0 motif_28 (1.000)