Mass2Motif: motif_62

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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: 4 spectra, 4 molecules, 3 classes: 50.0% Depsidones, 25.0% Quinones, 25.0% Cleavage Products of Depsides and Depsidones

Short Annotation: 4 spectra, 4 molecules, 3 classes: 50.0% Depsidones, 25.0% Quinones, 25.0% Cleavage Products of Depsides and Depsidones

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 0.9267436877186542. 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_151.2050 0.045
loss_155.8950 0.045
fragment_285.1850 0.045
loss_43.8250 0.045
fragment_274.0350 0.045
loss_86.9950 0.045
fragment_411.0050 0.045
  • COC(=O)c1c(OC)cc2c(c1C)Oc1c(Cl)c(O)c(Cl)c(C)c1C(=O)O2 (1)
fragment_302.0350 0.043
  • Cc1ccc(C)c2Oc3cc(O)c(Cl)c(C)c3C(=O)Oc12 (1)
loss_59.0050 0.043
fragment_123.0150 0.037
loss_72.0150 0.037
fragment_317.0450 0.032
loss_17.9350 0.029
fragment_177.0950 0.029
loss_43.9150 0.028
fragment_397.1650 0.028
loss_78.9850 0.015
fragment_282.0550 0.015
  • Cc1cccc2OC(=O)c3c(C)cc(O)c(C=O)c3Oc12 (1)
fragment_163.2550 0.015
loss_31.7750 0.015
loss_90.0050 0.014
fragment_105.0250 0.014
fragment_257.0750 0.013
loss_103.9550 0.013
loss_118.9850 0.012
fragment_242.0550 0.012
fragment_303.0350 0.011
loss_58.0050 0.011
loss_34.0150 0.011
fragment_161.0150 0.011
loss_122.9750 0.010
fragment_238.0650 0.010
loss_178.0550 0.007
fragment_182.9850 0.007
  • Cc1cc(O)c(C=O)c(O)c1Cl (1)
fragment_200.0450 0.006
loss_160.9850 0.006
fragment_138.9950 0.004
  • Cc1cccc(O)c1Cl (1)
loss_111.9050 0.003
fragment_329.1750 0.003
fragment_136.0450 0.003
fragment_316.0150 0.003
  • Cc1cc(O)c(Cl)c2Oc3c(ccc(C=O)c3C)OC(=O)c12 (1)
fragment_468.8550 0.003
fragment_241.1250 0.002
loss_199.9550 0.002
fragment_409.1250 0.002
fragment_249.3950 0.002
fragment_552.0150 0.002
fragment_607.8150 0.002
fragment_270.1650 0.002
loss_170.9150 0.002
fragment_410.5750 0.002
fragment_440.5050 0.002
fragment_598.2050 0.002
fragment_288.0250 0.002
fragment_448.8950 0.002
fragment_573.1850 0.002
fragment_172.9450 0.002
fragment_152.6150 0.002
fragment_96.2150 0.002
fragment_91.6050 0.002
fragment_143.3350 0.002
fragment_80.5550 0.002
fragment_614.8650 0.002
fragment_172.5850 0.002
fragment_448.3050 0.002
fragment_61.9750 0.002
fragment_79.4750 0.002
fragment_223.9550 0.002
fragment_148.3950 0.002
fragment_84.9850 0.002
fragment_235.7150 0.002
fragment_241.4750 0.001
loss_185.9450 0.001
fragment_255.1450 0.001
fragment_283.1750 0.001
loss_157.9150 0.001

Counts of Classyfire Substituent terms

Term name Count in motif Percentage in motif Percentage in experiment Absolute difference
Hydrocarbon derivative 4 100 100 0
Organooxygen compound 4 100 91.8 8.2
Benzenoid 3 75 27.2 47.8
Azacycle 2 50 14.0 36.0
Organic nitrogen compound 2 50 31.7 18.3
Organopnictogen compound 2 50 24.8 25.2
Organonitrogen compound 2 50 30.9 19.1
Organoheterocyclic compound 1 25 14.6 10.4
Heteroaromatic compound 1 25 5.3 19.7
Aromatic heteropolycyclic compound 1 25 15.4 9.6
1-hydroxy-2-unsubstituted benzenoid 1 25 2.5 22.5
Alcohol 1 25 12.0 13.0
Carbonyl group 1 25 20.5 4.5

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_622_Haematommic acid 195.0300 196.0373 None 1.000 0.312
LDB_370_Acetylnemetzon 441.0822 442.0895 None 1.000 0.167
LDB_731_Pannarin 361.0367 362.0440 None 0.918 0.363
LDB_105_Gangaleoidin 844.9974 846.0047 None 0.587 0.099

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.