Mass2Motif: motif_202

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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 0.963228117789831. 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
loss_182.1500 0.352
loss_190.1500 0.155
loss_140.5500 0.113
loss_152.1500 0.040
loss_148.1500 0.030
fragment_232.9500 0.029
fragment_565.5500 0.019
fragment_253.1500 0.018
fragment_130.9500 0.016
loss_139.5500 0.015
fragment_179.0500 0.014
loss_160.1500 0.012
fragment_111.1500 0.011
fragment_315.1500 0.009
fragment_185.0500 0.008
loss_189.1500 0.008
loss_154.1500 0.006
fragment_150.9500 0.006
loss_116.0500 0.006
fragment_508.7500 0.005
loss_181.3500 0.005
fragment_548.4500 0.005
fragment_198.9500 0.005
fragment_222.0500 0.005
loss_179.2500 0.005
fragment_266.0500 0.005
loss_167.2500 0.005
fragment_307.1500 0.005
fragment_418.8500 0.005
fragment_296.0500 0.004
loss_105.1500 0.004
loss_142.4500 0.004
fragment_460.3500 0.004
loss_121.2500 0.004
fragment_103.1500 0.004
fragment_361.9500 0.003
fragment_348.0500 0.003
fragment_326.3500 0.003
loss_86.9500 0.003
fragment_225.2500 0.003
fragment_242.9500 0.002
fragment_172.1500 0.002
fragment_303.0500 0.002
loss_141.4500 0.001
fragment_71.0500 0.001

Counts of Classyfire Substituent terms

Term name Count in motif Percentage in motif Percentage in experiment Absolute difference
Hydrocarbon derivative 33 100 100 0
Organooxygen compound 32 97.0 95.3 1.6
Organic nitrogen compound 15 45.5 55.6 10.2
Organonitrogen compound 14 42.4 54.1 11.7
Organopnictogen compound 12 36.4 45.2 8.9
Carbonyl group 9 27.3 44.0 16.8
Benzenoid 9 27.3 18.3 8.9
Aromatic heteropolycyclic compound 8 24.2 9.6 14.6
Heteroaromatic compound 6 18.2 5.8 12.4
Azacycle 4 12.1 22.6 10.5
Alcohol 1 3.0 14.7 11.6
Secondary alcohol 1 3.0 7.7 4.7
Organoheterocyclic compound 1 3.0 13.3 10.3
Oxacycle 1 3.0 7.9 4.9
1-hydroxy-2-unsubstituted benzenoid 1 3.0 1.3 1.7

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_4559 706.5360 706.5360 None 0.488 0.076
document_4193 690.0760 690.0760 None 0.429 0.159
document_357 413.2800 413.2800 None 0.351 0.434
document_59 401.2470 401.2470 None 0.337 0.218
document_60 401.2470 401.2470 None 0.332 0.446
document_193 407.2790 407.2790 None 0.330 0.401
document_328 413.2540 413.2540 None 0.287 0.371
document_370 413.2800 413.2800 None 0.279 0.516
document_4173 689.9500 689.9500 None 0.276 0.140
document_329 413.2780 413.2780 None 0.197 0.515
document_4171 689.9070 689.9070 None 0.186 0.122
document_366 413.2850 413.2850 None 0.145 0.189
document_1604 465.2300 465.2300 None 0.138 0.363
document_367 413.2700 413.2700 None 0.119 0.354
document_1874 485.3450 485.3450 None 0.112 0.193
document_637 421.2340 421.2340 None 0.106 0.353
document_3527 633.3780 633.3780 None 0.101 0.174
document_365 413.2700 413.2700 None 0.091 0.358
document_73 401.2700 401.2700 None 0.086 0.016
document_65 401.2470 401.2470 None 0.084 0.155
document_161 405.2700 405.2700 None 0.073 0.410
document_48 401.2490 401.2490 None 0.073 0.352
document_72 401.6130 401.6130 None 0.071 0.122
document_4190 688.9900 688.9900 None 0.070 0.134
document_369 413.2810 413.2810 None 0.068 0.165
document_2161 499.2660 499.2660 None 0.065 0.352
document_1304 443.3310 443.3310 None 0.065 0.192
document_652 421.2350 421.2350 None 0.062 0.352
document_2159 499.2420 499.2420 None 0.059 0.352
document_446 418.7780 418.7780 None 0.055 0.113
document_49 401.2470 401.2470 None 0.055 0.156
document_805 429.2430 429.2430 None 0.052 0.155
document_576 421.2320 421.2320 None 0.052 0.362

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.