Mass2Motif: motif_9

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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, 3 molecules, 2 classes: 66.7% Chromanes and Chromones, 33.3% Paraconic acids

Short Annotation: 3 spectra, 3 molecules, 2 classes: 66.7% Chromanes and Chromones, 33.3% Paraconic acids

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 0.9663732240189798. 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
loss_40.0350 0.080
  • ccC (1)
fragment_167.0350 0.080
  • Cc1c(O)cc(o)c(c=O)c1O (1)
loss_130.0250 0.037
fragment_77.0350 0.037
fragment_81.0650 0.037
  • CCCCCC (1)
fragment_165.9950 0.036
loss_41.0750 0.036
loss_105.0450 0.035
loss_123.0550 0.027
fragment_151.0450 0.025
loss_56.0250 0.025
loss_59.0450 0.025
fragment_309.2350 0.025
loss_42.0450 0.023
fragment_165.0150 0.023
loss_77.0550 0.022
fragment_291.2250 0.022
loss_86.0350 0.021
fragment_121.0350 0.021
fragment_133.0650 0.017
  • cc(=O)c1cccc(C)c1 (1)
loss_74.0050 0.017
  • Cco.O.O (1)
loss_87.0350 0.015
loss_161.0750 0.015
loss_81.0850 0.014
fragment_125.9850 0.014
fragment_133.0950 0.014
fragment_141.0550 0.013
loss_66.0150 0.013
fragment_98.9650 0.012
loss_108.1050 0.012
loss_102.0350 0.012
fragment_105.0350 0.012
fragment_67.0250 0.012
loss_140.0450 0.012
fragment_105.0650 0.012
loss_102.0050 0.012
fragment_84.9550 0.011
loss_122.1050 0.011
loss_151.0850 0.011
fragment_97.1050 0.010
  • CCCCCCC (1)
loss_41.0350 0.009
fragment_327.2450 0.009
fragment_207.2050 0.008
loss_128.0150 0.008
fragment_79.0550 0.008
loss_138.0650 0.007
fragment_69.0050 0.007
loss_95.0650 0.003
fragment_273.2150 0.003

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 95.7 4.3
Alcohol 1 33.3 15.8 17.5
Carbonyl group 1 33.3 20 13.3

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_610_Eugenitol 207.0657 206.0584 None 1.000 0.482
LDB_527_Isoeugenitol 207.0657 206.0584 None 1.000 0.430
LDB_414_Roccellaric acid 368.2801 367.2728 None 0.579 0.280

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.