Mass2Motif: motif_1

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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 0.9503003807109669. 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_125.0500 0.364
fragment_186.1500 0.194
fragment_145.1500 0.061
fragment_228.2500 0.036
fragment_896.9500 0.022
loss_191.6500 0.017
fragment_151.1500 0.014
fragment_687.3500 0.014
fragment_73.0500 0.011
fragment_375.2500 0.010
fragment_902.4500 0.010
fragment_432.8500 0.010
fragment_273.1500 0.009
fragment_519.2500 0.009
fragment_768.3500 0.008
fragment_652.2500 0.007
fragment_885.7500 0.007
fragment_236.0500 0.006
fragment_692.0500 0.006
loss_169.5500 0.006
loss_153.7500 0.006
fragment_822.4500 0.006
loss_23.3500 0.006
fragment_229.2500 0.006
loss_75.5500 0.006
fragment_985.5500 0.005
loss_134.5500 0.005
fragment_86.1500 0.005
fragment_688.3500 0.005
loss_190.5500 0.005
fragment_230.0500 0.004
fragment_216.0500 0.004
fragment_769.3500 0.004
fragment_126.0500 0.003
fragment_254.1500 0.003
fragment_346.1500 0.003
fragment_787.4500 0.003
loss_113.8500 0.002
fragment_773.3500 0.002
loss_156.9500 0.002
fragment_272.5500 0.002
loss_185.7500 0.002
fragment_543.2500 0.002
fragment_309.1500 0.002
fragment_429.1500 0.002
fragment_398.6500 0.002
loss_63.5500 0.002
fragment_255.1500 0.002
fragment_602.2500 0.002
fragment_172.0500 0.002
fragment_482.4500 0.002
fragment_825.4500 0.002
fragment_637.7500 0.002
fragment_876.3500 0.002
fragment_692.3500 0.002
loss_35.5500 0.002
loss_148.8500 0.002
fragment_630.6500 0.002
loss_97.1500 0.002
fragment_364.1500 0.002
fragment_897.2500 0.001
fragment_603.2500 0.001
fragment_113.0500 0.001
loss_107.5500 0.001
fragment_674.8500 0.001
loss_160.5500 0.001
fragment_380.1500 0.001
fragment_55.0500 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
Carbonyl group 22 53.7 44.0 9.6
Organic nitrogen compound 22 53.7 55.6 2.0
Organonitrogen compound 21 51.2 54.1 2.9
Organopnictogen compound 19 46.3 45.2 1.1
Azacycle 10 24.4 22.6 1.8
Heteroaromatic compound 5 12.2 5.8 6.4
Alcohol 3 7.3 14.7 7.3
Oxacycle 3 7.3 7.9 0.6
Secondary alcohol 2 4.9 7.7 2.8
Amine 2 4.9 4.4 0.5
Benzenoid 2 4.9 18.3 13.5
Organoheterocyclic compound 1 2.4 13.3 10.9

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_1441 455.4580 455.4580 None 0.894 0.042
document_5660 845.7630 845.7630 None 0.828 0.097
document_1539 462.2170 462.2170 None 0.679 0.415
document_1792 478.7280 478.7280 None 0.670 0.402
document_1365 450.2180 450.2180 None 0.575 0.393
document_4921 727.8370 727.8370 None 0.427 0.408
document_3158 595.3270 595.3270 None 0.339 0.387
document_1822 481.4000 481.4000 None 0.275 0.208
document_1315 444.2910 444.2910 None 0.271 0.206
document_152 405.6540 405.6540 None 0.270 0.039
document_1455 458.0100 458.0100 None 0.255 0.204
document_1791 478.4360 478.4360 None 0.199 0.364
document_2949 571.3830 571.3830 None 0.167 0.199
document_3633 639.3600 639.3600 None 0.164 0.375
document_1492 458.2950 458.2950 None 0.162 0.201
document_1544 462.4050 462.4050 None 0.158 0.558
document_1297 443.3310 443.3310 None 0.154 0.364
document_5550 813.4570 813.4570 None 0.151 0.364
document_3159 595.3460 595.3460 None 0.149 0.364
document_1493 458.2950 458.2950 None 0.149 0.194
document_3246 601.5150 601.5150 None 0.145 0.053
document_2948 571.3810 571.3810 None 0.122 0.197
document_195 408.1940 408.1940 None 0.112 0.208
document_758 429.1160 429.1160 8-desoxyenterocin 0.112 0.371
document_232 411.1490 411.1490 None 0.111 0.075
document_2613 542.2340 542.2340 None 0.110 0.367
document_1975 492.4520 492.4520 None 0.097 0.364
document_1392 452.3180 452.3180 None 0.095 0.074
document_812 429.2430 429.2430 None 0.094 0.364
document_1319 445.1110 445.1110 Enterocin 0.093 0.364
document_4287 691.3800 691.3800 None 0.088 0.061
document_66 401.2470 401.2470 None 0.087 0.364
document_5099 739.2870 739.2870 None 0.083 0.364
document_1543 463.3510 463.3510 None 0.082 0.559
document_1292 443.3300 443.3300 None 0.070 0.364
document_1886 486.2030 486.2030 None 0.067 0.376
document_678 423.2710 423.2710 None 0.064 0.381
document_3496 629.4260 629.4260 None 0.057 0.363
document_1327 446.1440 446.1440 None 0.054 0.364
document_1625 467.1000 467.1000 None 0.054 0.364
document_5737 895.4790 895.4790 None 0.052 0.364

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.