Mass2Motif: motif_257

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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: None

Short Annotation: None

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 0.9542629874345822. 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_551.4500 0.348
fragment_552.5500 0.089
fragment_111.1500 0.067
fragment_155.1500 0.051
fragment_109.0500 0.047
fragment_71.0500 0.028
fragment_275.4500 0.026
fragment_303.1500 0.022
fragment_241.1500 0.019
fragment_122.0500 0.018
fragment_94.9500 0.015
fragment_96.0500 0.014
fragment_355.2500 0.013
fragment_148.0500 0.011
fragment_356.1500 0.009
loss_71.2500 0.009
fragment_452.1500 0.009
fragment_252.1500 0.008
loss_134.9500 0.008
fragment_360.3500 0.008
fragment_143.0500 0.008
fragment_552.4500 0.007
fragment_239.2500 0.007
fragment_297.1500 0.007
fragment_225.0500 0.007
fragment_434.1500 0.006
loss_61.1500 0.006
fragment_284.9500 0.006
loss_139.1500 0.006
fragment_181.0500 0.006
loss_188.2500 0.006
fragment_206.0500 0.006
loss_167.3500 0.005
fragment_416.2500 0.005
fragment_402.9500 0.004
loss_171.1500 0.004
fragment_151.1500 0.004
fragment_441.2500 0.004
fragment_436.2500 0.004
fragment_324.1500 0.004
fragment_236.9500 0.004
loss_155.3500 0.004
fragment_371.2500 0.003
fragment_83.0500 0.003
fragment_352.0500 0.002
fragment_354.5500 0.002
fragment_288.9500 0.002
fragment_339.9500 0.002
fragment_349.0500 0.002
fragment_228.4500 0.002
fragment_57.0500 0.001
fragment_551.9500 0.001

Counts of Classyfire Substituent terms

Term name Count in motif Percentage in motif Percentage in experiment Absolute difference
Hydrocarbon derivative 28 100 100 0
Organooxygen compound 27 96.4 95.3 1.1
Carbonyl group 14 50 44.0 6.0
Organic nitrogen compound 12 42.9 55.6 12.8
Organonitrogen compound 12 42.9 54.1 11.3
Organopnictogen compound 9 32.1 45.2 13.1
Alcohol 7 25 14.7 10.3
Secondary alcohol 4 14.3 7.7 6.6
Aliphatic acyclic compound 4 14.3 2.9 11.4
Organoheterocyclic compound 3 10.7 13.3 2.6
Oxacycle 2 7.1 7.9 0.8
Azacycle 2 7.1 22.6 15.5
Carboxylic acid ester 1 3.6 1.8 1.8
Oxane 1 3.6 1.9 1.7
Acetal 1 3.6 1.5 2.1
Glycosyl compound 1 3.6 0.7 2.8
Benzenoid 1 3.6 18.3 14.8
Heteroaromatic compound 1 3.6 5.8 2.2
Aromatic heteropolycyclic compound 1 3.6 9.6 6.1

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
document_2007 495.2840 495.2840 None 0.558 0.209
document_2430 523.4720 523.4720 None 0.553 0.208
document_4319 692.5180 692.5180 None 0.408 0.540
document_4300 692.4910 692.4910 None 0.396 0.443
document_4303 692.5030 692.5030 None 0.382 0.385
document_4305 692.4740 692.4740 None 0.377 0.519
document_4277 692.3710 692.3710 None 0.364 0.462
document_4311 692.5170 692.5170 None 0.343 0.488
document_4308 692.5180 692.5180 None 0.339 0.405
document_4270 690.5040 690.5040 None 0.309 0.439
document_1638 467.3860 467.3860 None 0.277 0.058
document_4290 691.6330 691.6330 None 0.272 0.444
document_4320 692.5180 692.5180 None 0.248 0.108
document_4269 690.5040 690.5040 None 0.235 0.358
document_4299 692.4740 692.4740 None 0.190 0.400
document_3040 583.5030 583.5030 None 0.168 0.111
document_2728 554.1510 554.1510 None 0.133 0.068
document_4293 691.4330 691.4330 None 0.100 0.464
document_4628 712.4880 712.4880 None 0.068 0.355
document_5583 819.5000 819.5000 None 0.067 0.076
document_5674 854.5740 854.5740 None 0.064 0.079
document_3311 609.5220 609.5220 None 0.061 0.099
document_5036 737.8310 737.8310 None 0.055 0.351
document_4294 691.4330 691.4330 None 0.054 0.356
document_5829 959.5210 959.5210 None 0.053 0.056
document_1583 463.3010 463.3010 None 0.052 0.067
document_5009 734.4040 734.4040 None 0.052 0.067
document_4532 704.5220 704.5220 None 0.051 0.116

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.