Mass2Motif: motif_8

Return to experiment massbank_binned_005

Mass2Motif Annotation

The following are the full annotation and the short annotation (used for network visualisation) assigned to this Mass2Motif.

Annotation: Fragments indicative for y-aminobutyric acid (amimobutyrate) substructure (MzCloud)

Short Annotation: Fragments indicative for y-aminobutyric acid (amimobutyrate) substructure (MzCloud)

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 1.0. 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_87.0425 0.991
  • CCCC(=O)O (1)
loss_86.0375 0.009

Counts of Classyfire Substituent terms

Term name Count in motif Percentage in motif Percentage in experiment Absolute difference
Hydrocarbon derivative 1 100 83.8 16.2
Propargyl-type 1,3-dipolar organic compound 1 100 5.6 94.4
Organic nitrogen compound 1 100 55.2 44.8
Organooxygen compound 1 100 68.7 31.3
Organopnictogen compound 1 100 53.3 46.7
Fatty acyl 1 100 4.8 95.2
Organic oxide 1 100 59.3 40.7
Carboximidamide 1 100 1.8 98.2
Aliphatic acyclic compound 1 100 5.3 94.7
Guanidine 1 100 0.9 99.1
Gamma amino acid or derivatives 1 100 0.4 99.6
Straight chain fatty acid 1 100 0.3 99.7
Monocarboxylic acid or derivatives 1 100 15.9 84.1
Organonitrogen compound 1 100 54.9 45.1
Carbonyl group 1 100 26.6 73.4
Fatty acid 1 100 2.4 97.6
Carboxylic acid 1 100 12.7 87.3
Organic oxygen compound 1 100 71.2 28.8
Organic 1,3-dipolar compound 1 100 5.6 94.4

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
metabolights_0010.ms 146.0924 146.0924 metabolights_0010 0.139 0.991

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.