Mass2Motif: motif_57

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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 0.9623555316486718. 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_208.0500 0.137
fragment_375.1500 0.094
fragment_208.1500 0.079
fragment_821.3500 0.078
fragment_177.0500 0.076
fragment_178.0500 0.075
fragment_284.1500 0.049
loss_138.0500 0.029
fragment_911.6500 0.028
fragment_912.6500 0.028
fragment_853.5500 0.025
fragment_733.3500 0.024
loss_193.1500 0.023
fragment_855.5500 0.014
fragment_194.1500 0.014
fragment_694.4500 0.013
fragment_577.8500 0.011
fragment_822.3500 0.011
loss_148.0500 0.007
fragment_216.1500 0.007
fragment_62.9500 0.007
fragment_254.1500 0.007
fragment_127.1500 0.007
loss_75.8500 0.006
fragment_361.3500 0.006
loss_194.0500 0.006
fragment_148.0500 0.006
fragment_61.0500 0.005
fragment_621.3500 0.005
loss_105.0500 0.005
loss_156.9500 0.005
fragment_115.1500 0.005
fragment_350.3500 0.005
fragment_206.0500 0.005
fragment_69.0500 0.005
fragment_107.9500 0.005
fragment_171.4500 0.005
fragment_273.1500 0.005
fragment_579.2500 0.005
fragment_64.0500 0.004
loss_153.1500 0.004
fragment_907.2500 0.004
fragment_376.1500 0.003
fragment_251.1500 0.003
fragment_227.0500 0.002
fragment_259.1500 0.002
loss_137.0500 0.002
fragment_591.2500 0.002
loss_197.0500 0.002
fragment_285.1500 0.001
fragment_179.0500 0.001
fragment_222.1500 0.001
fragment_330.2500 0.001
loss_174.2500 0.001
loss_89.8500 0.001
loss_178.0500 0.001
loss_91.9500 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 37 100 95.3 4.7
Organic nitrogen compound 22 59.5 55.6 3.8
Benzenoid 19 51.4 18.3 33.0
Organonitrogen compound 18 48.6 54.1 5.5
Organopnictogen compound 16 43.2 45.2 2.0
Aromatic heteropolycyclic compound 14 37.8 9.6 28.2
Azacycle 10 27.0 22.6 4.4
Heteroaromatic compound 5 13.5 5.8 7.8
Carbonyl group 4 10.8 44.0 33.2
Organoheterocyclic compound 1 2.7 13.3 10.6
Oxacycle 1 2.7 7.9 5.2
Alcohol 1 2.7 14.7 12.0
Carboxamide group 1 2.7 5.5 2.8

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_1634 467.3050 467.3050 None 0.886 0.111
document_667 422.1860 422.1860 None 0.679 0.452
document_666 422.1820 422.1820 None 0.669 0.389
document_668 422.1900 422.1900 None 0.658 0.406
document_1124 437.2130 437.2130 None 0.625 0.102
document_58 401.2470 401.2470 None 0.338 0.246
document_2630 545.2890 545.2890 None 0.335 0.101
document_2346 513.3740 513.3740 None 0.329 0.248
document_2631 545.2910 545.2910 None 0.290 0.100
document_4902 727.3820 727.3820 None 0.205 0.146
document_13 401.1760 401.1760 None 0.174 0.167
document_3946 673.3730 673.3730 None 0.172 0.339
document_1576 463.2960 463.2960 None 0.171 0.290
document_54 401.2480 401.2480 None 0.163 0.320
document_2618 542.8870 542.8870 None 0.148 0.176
document_76 401.2630 401.2630 None 0.133 0.177
document_648 421.2380 421.2380 None 0.117 0.405
document_3735 646.0820 646.0820 None 0.116 0.155
document_1025 431.3100 431.3100 None 0.115 0.092
document_649 421.2410 421.2410 None 0.112 0.404
document_580 421.2320 421.2320 None 0.098 0.155
document_4547 705.4000 705.4000 None 0.098 0.337
document_3752 647.3600 647.3600 None 0.097 0.260
document_1270 443.2780 443.2780 None 0.096 0.163
document_1201 441.2220 441.2220 None 0.095 0.137
document_212 409.1800 409.1800 None 0.092 0.142
document_459 420.3370 420.3370 None 0.085 0.168
document_1439 455.3340 455.3340 None 0.084 0.094
document_3517 631.5020 631.5020 None 0.080 0.137
document_2213 504.8250 504.8250 None 0.075 0.100
document_2798 561.3020 561.3020 None 0.065 0.093
document_1042 433.1940 433.1940 None 0.056 0.292
document_2218 505.9940 505.9940 None 0.055 0.137
document_1711 473.2300 473.2300 None 0.055 0.212
document_1282 443.3170 443.3170 None 0.052 0.229
document_4535 705.3860 705.3860 None 0.051 0.347
document_4731 716.4160 716.4160 None 0.050 0.098

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.