Mass2Motif: motif_232

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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 0.9498942349559285. 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_312.3500 0.178
fragment_229.0500 0.104
loss_106.0500 0.074
loss_194.1500 0.057
fragment_356.3500 0.048
fragment_313.3500 0.043
fragment_909.5500 0.029
loss_105.0500 0.028
loss_130.1500 0.026
fragment_169.0500 0.018
fragment_357.3500 0.016
fragment_372.1500 0.015
loss_38.4500 0.014
loss_179.5500 0.014
loss_193.1500 0.013
loss_156.0500 0.012
fragment_230.0500 0.012
fragment_657.3500 0.011
fragment_445.1500 0.011
loss_195.6500 0.011
loss_111.1500 0.010
fragment_400.3500 0.010
fragment_400.2500 0.010
fragment_771.4500 0.009
fragment_488.4500 0.008
fragment_331.1500 0.008
fragment_257.0500 0.008
fragment_212.0500 0.007
fragment_287.1500 0.007
fragment_910.5500 0.006
loss_45.0500 0.006
fragment_910.4500 0.006
fragment_88.0500 0.006
fragment_445.4500 0.005
loss_161.1500 0.005
fragment_234.0500 0.005
loss_149.0500 0.005
fragment_294.3500 0.005
loss_165.2500 0.005
fragment_401.3500 0.004
loss_168.2500 0.004
loss_56.2500 0.003
fragment_346.9500 0.003
fragment_478.1500 0.003
loss_78.1500 0.003
fragment_395.1500 0.003
fragment_186.0500 0.003
loss_60.6500 0.003
fragment_466.2500 0.003
fragment_282.3500 0.003
fragment_286.2500 0.003
fragment_202.0500 0.003
fragment_278.8500 0.003
loss_161.5500 0.002
loss_167.1500 0.002
fragment_389.1500 0.002
fragment_168.1500 0.002
fragment_444.3500 0.002
fragment_114.0500 0.002
fragment_911.5500 0.002
fragment_122.0500 0.002
fragment_236.1500 0.001
fragment_292.2500 0.001
fragment_297.3500 0.001
loss_181.2500 0.001
fragment_244.2500 0.001
loss_178.5500 0.001
fragment_57.0500 0.001
fragment_234.1500 0.001
loss_154.2500 0.001
loss_149.6500 0.001
fragment_702.3500 0.001
fragment_377.1500 0.001
fragment_312.7500 0.001
fragment_611.3500 0.001
loss_105.6500 0.001
fragment_255.1500 0.001
fragment_326.1500 0.001
loss_180.2500 0.001
fragment_624.5500 0.001
loss_102.6500 0.001
loss_150.6500 0.001
fragment_376.2500 0.001

Counts of Classyfire Substituent terms

Term name Count in motif Percentage in motif Percentage in experiment Absolute difference
Hydrocarbon derivative 32 100 100 0
Organooxygen compound 32 100 95.3 4.7
Organonitrogen compound 21 65.6 54.1 11.5
Organic nitrogen compound 20 62.5 55.6 6.9
Organopnictogen compound 17 53.1 45.2 7.9
Carbonyl group 17 53.1 44.0 9.1
Azacycle 10 31.3 22.6 8.6
Benzenoid 7 21.9 18.3 3.5
Aromatic heteropolycyclic compound 6 18.8 9.6 9.1
Oxacycle 4 12.5 7.9 4.6
Heteroaromatic compound 3 9.4 5.8 3.6
Organoheterocyclic compound 3 9.4 13.3 3.9
Alcohol 2 6.3 14.7 8.4
Carboxamide group 1 3.1 5.5 2.4
Carboxylic acid ester 1 3.1 1.8 1.3
Secondary alcohol 1 3.1 7.7 4.6

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_453 418.3890 418.3890 None 0.926 0.332
document_2688 550.4710 550.4710 None 0.886 0.491
document_451 418.3890 418.3890 None 0.832 0.341
document_452 418.3910 418.3910 None 0.812 0.382
document_455 418.3930 418.3930 None 0.781 0.264
document_2687 550.4660 550.4660 None 0.771 0.350
document_2227 506.4420 506.4420 None 0.770 0.372
document_2228 506.4440 506.4440 None 0.716 0.367
document_2461 526.8380 526.8380 None 0.709 0.094
document_2757 556.3030 556.3030 None 0.708 0.096
document_454 418.3920 418.3920 None 0.568 0.328
document_3088 588.2330 588.2330 None 0.534 0.024
document_2620 543.2650 543.2650 None 0.512 0.115
document_209 408.5930 408.5930 None 0.484 0.139
document_1545 462.4150 462.4150 None 0.477 0.292
document_1381 451.6590 451.6590 None 0.433 0.016
document_126 403.1970 403.1970 None 0.394 0.173
document_2767 557.2810 557.2810 None 0.345 0.115
document_239 411.2710 411.2710 None 0.269 0.044
document_2459 526.8370 526.8370 None 0.216 0.072
document_872 430.3870 430.3870 None 0.147 0.179
document_14 400.3800 400.3800 None 0.144 0.220
document_2334 513.2570 513.2570 None 0.119 0.115
document_41 401.4800 401.4800 None 0.111 0.104
document_504 420.1530 420.1530 None 0.093 0.104
document_1296 443.3310 443.3310 None 0.081 0.186
document_1247 443.2020 443.2020 None 0.076 0.024
document_5916 1202.2460 1202.2460 None 0.065 0.178
document_738 427.2040 427.2040 None 0.064 0.105
document_1628 467.0930 467.0930 None 0.063 0.104
document_1990 493.7250 493.7250 None 0.053 0.110
document_3624 638.7550 638.7550 None 0.053 0.178

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.