Mass2Motif: motif_51

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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% Xanthones and bis-Xanthones, 33.3% Terpenoids : Triterpenes

Short Annotation: 3 spectra, 3 molecules, 2 classes: 66.7% Xanthones and bis-Xanthones, 33.3% Terpenoids : Triterpenes

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 0.9150116645172807. 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_323.9550 0.159
fragment_325.9550 0.146
fragment_289.9950 0.137
loss_34.0750 0.058
fragment_672.8950 0.058
fragment_381.8850 0.042
fragment_291.9950 0.037
fragment_261.9950 0.034
fragment_292.0050 0.027
fragment_382.8950 0.024
fragment_459.8450 0.024
fragment_643.8950 0.020
loss_63.0750 0.020
fragment_161.1250 0.020
loss_190.1850 0.018
fragment_235.1950 0.018
fragment_122.9750 0.014
fragment_264.0050 0.012
fragment_324.9650 0.011
fragment_459.8750 0.011
fragment_408.3650 0.005
loss_156.1450 0.004
loss_154.1350 0.003
loss_126.1050 0.003
fragment_299.2650 0.003
loss_142.1350 0.002
fragment_283.2350 0.002
loss_128.1150 0.002
fragment_297.2550 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 95.7 4.3
Alcohol 2 66.7 15.8 50.8
Oxacycle 2 66.7 18.7 48.0
Carbonyl group 1 33.3 20 13.3
Secondary alcohol 1 33.3 7.7 25.7
Organic nitrogen compound 1 33.3 18.5 14.8
Organoheterocyclic compound 1 33.3 15.0 18.3
1-hydroxy-2-unsubstituted benzenoid 1 33.3 3.5 29.8
Phenol 1 33.3 1.2 32.1

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_514_"2,5-Dichloronorlichexanthone" 706.9657 705.9584 None 1.000 0.703
LDB_690_"2,4-Dichloronorlichexanthone" 706.9657 705.9584 None 1.000 0.560
LDB_83_17(21)-Hopen-6-one 425.3721 424.3648 None 0.217 0.094

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.