Mass2Motif: motif_186

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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 0.9377388358694889. 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_432.2500 0.138
loss_77.0500 0.108
fragment_204.1500 0.100
loss_74.2500 0.061
fragment_150.1500 0.058
fragment_277.0500 0.046
fragment_497.7500 0.033
fragment_433.2500 0.029
loss_76.0500 0.025
fragment_711.3500 0.022
fragment_114.0500 0.021
fragment_498.2500 0.016
fragment_307.0500 0.016
loss_78.0500 0.014
fragment_437.0500 0.013
fragment_344.1500 0.010
fragment_126.1500 0.009
fragment_168.0500 0.009
loss_73.2500 0.008
loss_55.5500 0.007
loss_162.3500 0.007
fragment_881.4500 0.006
fragment_712.3500 0.006
fragment_455.0500 0.006
loss_165.0500 0.006
fragment_523.2500 0.005
fragment_882.4500 0.005
fragment_596.3500 0.005
fragment_339.2500 0.005
fragment_94.0500 0.005
fragment_498.7500 0.005
fragment_278.0500 0.005
fragment_520.8500 0.004
fragment_499.2500 0.004
fragment_824.4500 0.004
loss_18.0500 0.004
fragment_497.0500 0.004
fragment_256.1500 0.003
fragment_96.0500 0.003
fragment_272.1500 0.003
loss_75.9500 0.003
fragment_308.0500 0.003
fragment_276.0500 0.003
fragment_258.0500 0.003
fragment_151.1500 0.003
fragment_141.0500 0.003
loss_74.0500 0.003
loss_155.1500 0.003
fragment_438.0500 0.003
fragment_174.1500 0.003
loss_193.0500 0.002
fragment_502.3500 0.002
fragment_216.1500 0.002
fragment_835.4500 0.002
fragment_419.0500 0.002
fragment_176.1500 0.002
loss_75.0500 0.002
fragment_825.4500 0.002
fragment_373.2500 0.002
fragment_473.0500 0.002
fragment_180.0500 0.002
fragment_148.1500 0.002
loss_157.0500 0.002
fragment_345.1500 0.002
fragment_384.7500 0.002
loss_191.6500 0.002
fragment_590.2500 0.002
loss_176.6500 0.002
loss_71.0500 0.002
fragment_377.6500 0.002
fragment_399.1500 0.002
fragment_397.2500 0.002
fragment_429.2500 0.002
fragment_396.1500 0.002
loss_125.0500 0.002
loss_133.3500 0.002
fragment_434.2500 0.002
fragment_178.1500 0.001
fragment_304.9500 0.001
fragment_424.8500 0.001
loss_129.4500 0.001
loss_171.0500 0.001
fragment_229.1500 0.001
fragment_424.2500 0.001
loss_99.2500 0.001
fragment_407.2500 0.001
fragment_186.0500 0.001
fragment_210.0500 0.001
loss_135.0500 0.001
fragment_310.6500 0.001
fragment_409.1500 0.001
fragment_826.4500 0.001
fragment_265.1500 0.001
loss_153.1500 0.001
fragment_646.2500 0.001

Counts of Classyfire Substituent terms

Term name Count in motif Percentage in motif Percentage in experiment Absolute difference
Hydrocarbon derivative 41 100 100 0
Organooxygen compound 38 92.7 95.3 2.6
Organic nitrogen compound 33 80.5 55.6 24.9
Organonitrogen compound 32 78.0 54.1 23.9
Organopnictogen compound 27 65.9 45.2 20.6
Carbonyl group 17 41.5 44.0 2.6
Azacycle 16 39.0 22.6 16.4
Alcohol 8 19.5 14.7 4.9
Organoheterocyclic compound 7 17.1 13.3 3.8
Carboxamide group 3 7.3 5.5 1.8
Benzenoid 2 4.9 18.3 13.5
Carboxylic acid ester 2 4.9 1.8 3.1
Oxacycle 2 4.9 7.9 3.0
Secondary alcohol 1 2.4 7.7 5.3
Amine 1 2.4 4.4 1.9

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_2503 531.1030 531.1030 None 0.981 0.050
document_2286 509.2480 509.2480 None 0.973 0.331
document_2796 561.1150 561.1150 None 0.947 0.074
document_2288 509.2480 509.2480 None 0.934 0.302
document_2289 509.2490 509.2490 None 0.916 0.326
document_2287 509.2470 509.2470 None 0.905 0.267
document_376 414.3270 414.3270 None 0.861 0.181
document_2352 515.0940 515.0940 None 0.819 0.218
document_2236 506.5290 506.5290 None 0.802 0.261
document_375 414.3200 414.3200 None 0.796 0.187
document_2982 576.3890 576.3890 None 0.763 0.178
document_2256 506.5290 506.5290 None 0.745 0.228
document_2981 576.3890 576.3890 None 0.745 0.203
document_2255 506.5300 506.5300 None 0.721 0.258
document_2237 506.5280 506.5280 None 0.697 0.257
document_361 413.5450 413.5450 None 0.634 0.170
document_2737 554.3050 554.3050 None 0.465 0.125
document_2736 554.3080 554.3080 None 0.450 0.125
document_2730 554.2880 554.2880 None 0.441 0.122
document_2719 553.2740 553.2740 None 0.319 0.133
document_2238 506.5270 506.5270 None 0.316 0.201
document_2718 553.2730 553.2730 None 0.292 0.151
document_155 405.1790 405.1790 None 0.288 0.145
document_387 415.1370 415.1370 None 0.236 0.146
document_2714 552.2860 552.2860 None 0.182 0.100
document_3897 667.3200 667.3200 None 0.123 0.050
document_5543 812.2230 812.2230 None 0.119 0.046
document_3034 583.1090 583.1090 None 0.111 0.052
document_2484 528.3490 528.3490 None 0.103 0.141
document_2921 569.1090 569.1090 None 0.097 0.053
document_2229 506.5280 506.5280 None 0.091 0.246
document_235 411.1420 411.1420 None 0.090 0.050
document_5069 738.4120 738.4120 None 0.088 0.019
document_1487 457.3980 457.3980 None 0.083 0.154
document_3483 628.3470 628.3470 None 0.070 0.178
document_1486 457.4000 457.4000 None 0.068 0.133
document_2247 506.5290 506.5290 None 0.061 0.140
document_1903 487.2880 487.2880 None 0.059 0.100
document_4297 692.3620 692.3620 None 0.053 0.178
document_22 400.4140 400.4140 None 0.052 0.100
document_1238 442.1520 442.1520 None 0.050 0.045

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.