Mass2Motif: motif_8

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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: 6 spectra, 2 molecules, 1 class: 100.0% Xanthones and bis-Xanthones

Short Annotation: 6 spectra, 2 molecules, 1 class: 100.0% Xanthones and bis-Xanthones

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 0.9644550297763744. 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_260.9950 0.073
  • O=c1c2ccc(O)c(Cl)c2oc2cccc(O)c12 (2)
  • O=c1c2ccc(O)cc2oc2c(Cl)ccc(O)c12 (2)
fragment_232.9950 0.062
loss_91.9650 0.053
  • O.OccCl (2)
fragment_197.0250 0.047
loss_137.9750 0.039
loss_109.9750 0.037
loss_62.9650 0.036
fragment_233.0050 0.030
  • cc(C)c1coc2cc(O)c(Cl)cc2c1=O (3)
fragment_262.0050 0.030
loss_145.9550 0.028
fragment_225.0150 0.028
loss_63.9650 0.025
fragment_234.0050 0.024
loss_80.9750 0.021
fragment_289.9950 0.021
  • Cc1cc(O)cc2oc3cc(O)c(Cl)c(O)c3c(=O)c12 (1)
fragment_149.0250 0.020
loss_127.9450 0.019
loss_173.9450 0.018
fragment_169.0250 0.018
  • cc1cc(=O)c2c(C)cccc2o1 (2)
loss_155.9350 0.018
  • Cl.O.Occ(Cl)cO (2)
fragment_262.9950 0.018
fragment_141.0350 0.015
fragment_169.0350 0.013
fragment_198.0350 0.013
  • cc(C)c1coc2cc(O)ccc2c1=O (1)
loss_90.9650 0.012
fragment_226.0250 0.012
loss_98.9450 0.012
loss_90.9550 0.012
loss_107.9850 0.011
loss_63.9750 0.011
  • C.Cl.O (2)
fragment_170.0350 0.010
  • cc1cc(=O)c2c(C)cccc2o1 (1)
loss_127.9350 0.010
loss_175.9450 0.009
loss_183.9350 0.009
fragment_153.0350 0.009
loss_99.9350 0.008
fragment_225.0250 0.008
loss_171.9350 0.007
loss_172.9350 0.007
loss_172.9450 0.006
loss_199.9250 0.006
fragment_125.0450 0.006
fragment_234.9950 0.006
loss_135.9750 0.006
fragment_291.9950 0.006
loss_78.9750 0.006
fragment_80.9250 0.006
fragment_261.9950 0.005
fragment_169.0450 0.005
loss_155.9250 0.005
fragment_105.0350 0.005
  • Cc1cccc(O)c1 (1)
fragment_80.9150 0.004
loss_61.9650 0.004
fragment_157.0250 0.003
loss_175.9850 0.003
fragment_148.9750 0.003
loss_61.9750 0.003
fragment_153.0450 0.002
loss_171.9250 0.002
fragment_78.9250 0.002
loss_183.9250 0.002
loss_154.9350 0.002
loss_107.9550 0.002
fragment_217.0050 0.002
  • cc(C)c1coc2ccc(Cl)cc2c1=O (1)
fragment_112.9850 0.002
fragment_205.0050 0.001
loss_119.9550 0.001
fragment_290.0050 0.001
fragment_424.8950 0.001
loss_34.9550 0.001

Counts of Classyfire Substituent terms

Term name Count in motif Percentage in motif Percentage in experiment Absolute difference
Hydrocarbon derivative 6 100 100 0
Organooxygen compound 6 100 91.8 8.2
Carbonyl group 4 66.7 20.5 46.2
Organic nitrogen compound 3 50 31.7 18.3
Organonitrogen compound 3 50 30.9 19.1
Benzenoid 2 33.3 27.2 6.1
Aromatic heteropolycyclic compound 2 33.3 15.4 17.9
Azacycle 2 33.3 14.0 19.4
Organopnictogen compound 2 33.3 24.8 8.6
Carboxamide group 1 16.7 1.5 15.2

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_477_"N_2,4-Dichloronorlichexanthone" 324.9671 325.9744 None 1.000 0.509
LDB_415_"N_2,4-Dichloronorlichexanthone" 370.9725 371.9798 None 1.000 0.527
LDB_444_"N_2,5-Dichloronorlichexanthone" 370.9725 371.9798 None 1.000 0.483
LDB_741_"N_2,4-Dichloronorlichexanthone" 324.9630 325.9702 None 1.000 0.422
LDB_413_"N_2,5-Dichloronorlichexanthone" 324.9671 325.9744 None 1.000 0.363
LDB_592_"N_2,5-Dichloronorlichexanthone" 324.9643 325.9716 None 1.000 0.351

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.