Mass2Motif: motif_174

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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 0.9517864324347323. 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_258.1500 0.297
fragment_257.1500 0.206
fragment_275.1500 0.205
fragment_241.0500 0.021
fragment_240.0500 0.013
fragment_217.1500 0.012
fragment_353.2500 0.012
fragment_259.1500 0.011
fragment_172.0500 0.010
fragment_147.0500 0.009
fragment_179.1500 0.008
fragment_755.4500 0.008
fragment_854.4500 0.007
fragment_228.2500 0.006
fragment_256.2500 0.005
fragment_294.1500 0.005
fragment_212.1500 0.005
fragment_458.1500 0.005
loss_77.5500 0.005
fragment_339.2500 0.005
fragment_278.1500 0.005
fragment_627.4500 0.004
fragment_458.2500 0.004
fragment_111.1500 0.004
fragment_83.0500 0.004
fragment_457.2500 0.004
fragment_218.1500 0.004
fragment_134.6500 0.004
fragment_826.4500 0.004
fragment_372.1500 0.004
loss_51.0500 0.003
fragment_628.4500 0.003
loss_193.1500 0.003
fragment_433.1500 0.003
fragment_403.2500 0.003
fragment_775.4500 0.002
loss_46.1500 0.002
fragment_753.4500 0.002
loss_69.0500 0.002
fragment_343.2500 0.002
fragment_101.0500 0.002
fragment_754.4500 0.002
fragment_329.0500 0.002
loss_67.0500 0.002
fragment_399.1500 0.002
fragment_387.0500 0.002
loss_103.1500 0.001
fragment_257.0500 0.001
fragment_242.0500 0.001
fragment_313.0500 0.001
fragment_340.2500 0.001
loss_179.9500 0.001
fragment_277.3500 0.001
fragment_368.2500 0.001
loss_161.1500 0.001
fragment_140.0500 0.001
fragment_130.0500 0.001
fragment_419.1500 0.001
fragment_354.2500 0.001
loss_133.2500 0.001
fragment_395.0500 0.001
loss_95.1500 0.001
fragment_309.1500 0.001

Counts of Classyfire Substituent terms

Term name Count in motif Percentage in motif Percentage in experiment Absolute difference
Hydrocarbon derivative 37 100 100 0
Organooxygen compound 35 94.6 95.3 0.7
Organic nitrogen compound 25 67.6 55.6 11.9
Organonitrogen compound 24 64.9 54.1 10.8
Carbonyl group 18 48.6 44.0 4.6
Organopnictogen compound 17 45.9 45.2 0.7
Alcohol 7 18.9 14.7 4.3
Azacycle 6 16.2 22.6 6.4
Organoheterocyclic compound 5 13.5 13.3 0.2
Secondary alcohol 4 10.8 7.7 3.1
Oxacycle 3 8.1 7.9 0.2
Benzenoid 2 5.4 18.3 12.9
1-hydroxy-2-unsubstituted benzenoid 2 5.4 1.3 4.1
Carboxamide group 1 2.7 5.5 2.8
Amine 1 2.7 4.4 1.7
Polyol 1 2.7 1.6 1.1
Aromatic heteropolycyclic compound 1 2.7 9.6 6.9
Vinylogous acid 1 2.7 0.1 2.6

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_3362 613.3860 613.3860 None 0.928 0.772
document_3476 627.4040 627.4040 None 0.838 0.771
document_5594 821.5280 821.5280 None 0.826 0.762
document_3193 595.4500 595.4500 None 0.825 0.316
document_3693 641.4190 641.4190 None 0.822 0.768
document_2554 535.7930 535.7930 None 0.675 0.047
document_3363 613.3860 613.3860 None 0.665 0.744
document_1979 493.2420 493.2420 None 0.578 0.307
document_3403 617.3850 617.3850 None 0.430 0.517
document_1442 456.2330 456.2330 None 0.365 0.225
document_1948 490.2380 490.2380 None 0.364 0.332
document_1475 457.3230 457.3230 None 0.352 0.224
document_1684 471.0850 471.0850 None 0.307 0.205
document_2972 575.3740 575.3740 None 0.284 0.518
document_5671 849.5680 849.5680 None 0.184 0.557
document_5742 899.5180 899.5180 None 0.182 0.503
document_5613 835.5500 835.5500 None 0.177 0.772
document_1477 457.3290 457.3290 None 0.171 0.205
document_1476 457.3290 457.3290 None 0.127 0.204
document_4131 683.4640 683.4640 None 0.107 0.339
document_3839 660.9880 660.9880 None 0.101 0.297
document_5448 781.9140 781.9140 None 0.101 0.206
document_2189 502.3030 502.3030 None 0.093 0.320
document_3920 669.4290 669.4290 None 0.083 0.206
document_1313 445.8280 445.8280 None 0.083 0.297
document_1229 441.3510 441.3510 None 0.078 0.205
document_3936 672.3700 672.3700 None 0.075 0.304
document_2518 532.2590 532.2590 None 0.070 0.308
document_4378 700.3850 700.3850 None 0.065 0.308
document_3128 590.7520 590.7520 None 0.064 0.302
document_2772 557.3280 557.3280 None 0.062 0.205
document_2161 499.2660 499.2660 None 0.061 0.207
document_1949 490.2640 490.2640 None 0.059 0.298
document_1236 442.7340 442.7340 None 0.058 0.207
document_4380 700.3880 700.3880 None 0.057 0.315
document_2160 499.2550 499.2550 None 0.053 0.302
document_1257 443.2220 443.2220 None 0.052 0.205

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.