Mass2Motif: motif_92

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Mass2Motif Annotation

The following are the full annotation and the short annotation (used for network visualisation) assigned to this Mass2Motif.

Annotation: 3 spectra, 1 molecule, 1 class: 100.0% Quinones

Short Annotation: 3 spectra, 1 molecule, 1 class: 100.0% Quinones

Mass2Motif Details

The following table shows the fragment and loss features that are explained by this Mass2Motifs and their corresponding probabilities. After thresholding to save the model, the total probability left in this motif is 0.9612037748655463. The column MAGMa Substructure Annotation shows substructures and the counts of MAGMa annotations for documents linked above threshold to this motif in this experiment. Hovering over each MAGMa substructure shows a plot of the substructure.

Feature Probability MAGMA Substructure Annotation
fragment_295.0250 0.071
  • O=C(cc1ccc(O)c(O)c1)c1cc2cc(O)c(O)cc2o1 (3)
loss_55.9850 0.071
  • O=Cco (3)
loss_83.9850 0.050
  • O.cc(O)cO (1)
fragment_322.0150 0.047
  • O=C(c1cc2cc(O)c(O)cc2o1)c1coc2cc(O)c(O)cc12 (1)
loss_27.9950 0.045
  • C=O (3)
fragment_251.0350 0.043
loss_111.9750 0.042
loss_99.9750 0.041
fragment_267.0250 0.034
  • cc1coc2C(=O)c3c(Cc21)oc1cc(O)c(O)cc31 (1)
fragment_323.0250 0.031
  • O=C(c1cc2cc(O)c(O)cc2o1)c1coc2cc(O)c(O)cc12 (2)
loss_127.9750 0.026
loss_139.9750 0.026
fragment_239.0350 0.026
loss_28.9950 0.025
loss_29.0050 0.022
loss_71.9850 0.019
  • O.O=Cco (1)
fragment_279.0250 0.019
  • O=C(cc1ccc(O)c(O)c1)c1cc2cc(O)ccc2o1 (1)
fragment_211.0450 0.018
fragment_167.0550 0.018
fragment_239.0450 0.016
fragment_305.0150 0.016
  • O=C(c1cc2cc(O)ccc2o1)c1coc2cc(O)c(O)cc12 (1)
loss_139.9850 0.016
fragment_211.0250 0.016
fragment_267.0350 0.016
fragment_266.0250 0.014
  • cc1cc2C(=O)c3oc4cc(O)ccc4c3C(=O)c2o1 (1)
loss_84.9950 0.014
  • O.cc(O)cO (1)
fragment_323.0150 0.014
  • O=C(c1cc2cc(O)c(O)cc2o1)c1coc2cc(O)c(O)cc12 (1)
fragment_223.0350 0.014
fragment_223.0450 0.012
fragment_222.0350 0.012
loss_128.9850 0.012
loss_84.8750 0.011
fragment_266.1350 0.011
loss_155.9550 0.011
fragment_195.0550 0.011
loss_183.9650 0.011
fragment_211.0350 0.008
fragment_91.9850 0.008
fragment_183.0450 0.008
loss_167.9650 0.008
loss_183.9550 0.007
fragment_147.1250 0.006
fragment_147.0050 0.006
  • Oc1cc2ccoc2cc1O (1)
fragment_102.9550 0.004
fragment_118.9850 0.002
fragment_73.0050 0.002

Counts of Classyfire Substituent terms

Term name Count in motif Percentage in motif Percentage in experiment Absolute difference
Hydrocarbon derivative 3 100 100 0
Organooxygen compound 3 100 91.8 8.2
Carbonyl group 1 33.3 20.5 12.9
Benzenoid 1 33.3 27.2 6.1

Counts of Mass2Motif Features

Two bar plots will appear below this message. The first shows the proportion of the total intensity of these features explained by this Mass2Motif. Red bars show the total intensity (across the whole dataset), blue bars show the proportion explained by the selected Mass2Motif. The second shows the number of times each feature in this Mass2Motif appears in the documents associated with this Mass2Motif.

Fragmentation Spectra Explained by Mass2Motif

The following table lists all fragmentation spectra that are explained by this Mass2Motif at the threshold specified in the experiment option.

Fragmentation spectra Precursor Mass Parent mass Annotation Probability Overlap Score
LDB_447_Thelephoric acid 351.0141 352.0214 None 1.000 0.640
LDB_644_Thelephoric acid 351.0106 352.0179 None 1.000 0.666
LDB_325_Thelephoric acid 351.0141 352.0214 None 0.945 0.590

Fragmentation Spectra Plot

The fragmentation spectra of molecules explained by this Mass2Motif are plotted below. Features (fragments and losses) explained by this Mass2Motif will be coloured red, while parent ion is coloured in blue. Click Next and Previous to cycle through the fragmentation spectra.