Mass2Motif: motif_94

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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: 7 spectra, 4 molecules, 3 classes: 50.0% Depsidones, 25.0% Xanthones and bis-Xanthones, 25.0% Quinones

Short Annotation: 7 spectra, 4 molecules, 3 classes: 50.0% Depsidones, 25.0% Xanthones and bis-Xanthones, 25.0% 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 0.9715957178899597. 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_211.0750 0.105
  • Cc1ccc(cc1)C(=O)c1ccccc1O (1)
loss_46.0050 0.076
  • CO.O (1)
  • O=CO (1)
fragment_242.0550 0.063
  • Cc1cc(O)cc(c1)C(=O)c1cc(O)cc(O)c1 (1)
  • cc(C)c1cOc2ccc(OC)c(C)c2OC1=O (1)
fragment_449.1950 0.059
fragment_239.0750 0.058
  • Cc1cc(O)c2C(=O)c3ccccc3C(=O)c2c1 (1)
  • Cc1cc(O)c2c(=O)c3c(C)cccc3oc2c1 (1)
fragment_168.0550 0.057
loss_89.0250 0.057
  • CO.O.ccO (1)
  • C.C=O.O=CO (1)
fragment_214.0650 0.038
  • Oc1ccc2cc3c(O)cccc3oc2c1 (2)
loss_117.0150 0.032
  • O=CO.O=CccO (1)
loss_43.0250 0.029
fragment_213.0550 0.029
  • O=c1c2ccccc2oc2cccc(O)c12 (1)
loss_44.0250 0.026
  • C.C.O (1)
loss_74.0050 0.024
  • C=O.CO.O (1)
loss_73.9950 0.024
fragment_168.1250 0.020
loss_116.9450 0.020
fragment_224.0450 0.016
fragment_139.0550 0.014
loss_145.0150 0.014
fragment_140.0650 0.014
fragment_151.0350 0.013
  • COc1ccc(C=O)c(O)c1 (1)
fragment_196.0550 0.012
  • Cccc1cC(=O)c2ccccc2C1=O (1)
loss_104.0150 0.011
fragment_196.0450 0.011
loss_61.0350 0.011
loss_134.0350 0.010
  • Cc1cc(O)cc(C=O)c1 (1)
loss_146.0250 0.010
fragment_181.0650 0.009
loss_76.0150 0.009
loss_150.0350 0.008
fragment_135.0450 0.008
fragment_115.0550 0.008
fragment_153.0750 0.007
fragment_475.1750 0.006
loss_142.0250 0.005
fragment_155.0850 0.005
fragment_139.0450 0.005
loss_146.0350 0.005
loss_118.0250 0.005
loss_106.0450 0.005
fragment_77.0350 0.004
fragment_153.0650 0.004
loss_180.0450 0.003
  • Cc1cc(O)c(C=O)c(O)c1C=O (1)
fragment_152.0650 0.003
loss_133.0150 0.003
fragment_158.0650 0.003
loss_99.0150 0.003
fragment_105.0450 0.003
loss_152.0350 0.003
loss_170.0250 0.002

Counts of Classyfire Substituent terms

Term name Count in motif Percentage in motif Percentage in experiment Absolute difference
Hydrocarbon derivative 7 100 100 0
Organooxygen compound 6 85.7 95.7 10.0
Benzenoid 4 57.1 22.0 35.1
1-hydroxy-2-unsubstituted benzenoid 2 28.6 3.5 25.1
Organic nitrogen compound 1 14.3 18.5 4.2
Organonitrogen compound 1 14.3 18.9 4.6
Aromatic heteropolycyclic compound 1 14.3 10.3 4.0
Phenol 1 14.3 1.2 13.1
1-hydroxy-4-unsubstituted benzenoid 1 14.3 1.7 12.5

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_75_Parietin 285.0756 284.0683 None 0.996 0.539
LDB_585_Parietin 285.0763 284.0690 None 0.874 0.573
LDB_691_"1,6-Dihydroxy-3,8-dimethylxanthone" 257.0814 256.0741 None 0.853 0.520
LDB_87_"1,6-Dihydroxy-3,8-dimethylxanthone" 257.0805 256.0732 None 0.742 0.468
LDB_614_Physodic acid 493.1838 492.1765 None 0.508 0.064
LDB_349_Physodic acid 493.1838 492.1765 None 0.490 0.064
LDB_470_Psoromic acid 359.0767 358.0694 None 0.092 0.219

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.