Mass2Motif: motif_168

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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: Interesting motif - small substructure [132, 115]

Short Annotation: Interesting motif - small substructure [132, 115]

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 0.9422910357240668. 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_115.0500 0.315
fragment_132.1500 0.143
loss_132.0500 0.126
fragment_380.9500 0.032
fragment_378.9500 0.029
fragment_789.9500 0.022
fragment_225.9500 0.017
fragment_801.2500 0.017
fragment_677.9500 0.015
fragment_68.9500 0.012
fragment_311.0500 0.011
fragment_565.9500 0.008
fragment_185.6500 0.007
fragment_321.9500 0.007
fragment_254.9500 0.007
fragment_110.9500 0.007
fragment_628.1500 0.007
fragment_331.9500 0.007
fragment_329.9500 0.006
fragment_379.9500 0.006
fragment_802.2500 0.005
fragment_229.9500 0.005
fragment_694.4500 0.005
fragment_267.9500 0.005
loss_162.1500 0.004
loss_120.1500 0.004
fragment_475.9500 0.004
fragment_413.9500 0.004
fragment_323.2500 0.004
fragment_381.9500 0.004
fragment_309.1500 0.004
fragment_70.8500 0.004
loss_109.1500 0.004
fragment_212.9500 0.004
fragment_304.0500 0.003
fragment_84.4500 0.003
fragment_184.9500 0.003
fragment_678.9500 0.003
fragment_644.1500 0.003
loss_134.3500 0.003
fragment_544.2500 0.003
fragment_287.9500 0.003
fragment_354.9500 0.002
fragment_495.3500 0.002
fragment_702.3500 0.002
fragment_207.9500 0.002
loss_126.7500 0.002
fragment_98.0500 0.002
fragment_65.0500 0.002
fragment_278.9500 0.002
fragment_125.9500 0.002
fragment_453.9500 0.002
fragment_115.9500 0.002
fragment_672.1500 0.002
fragment_206.4500 0.002
fragment_371.9500 0.002
fragment_393.9500 0.002
fragment_164.1500 0.002
fragment_351.1500 0.002
fragment_308.8500 0.002
fragment_378.0500 0.001
fragment_218.2500 0.001
fragment_86.9500 0.001
fragment_145.9500 0.001
fragment_657.9500 0.001
loss_122.0500 0.001
fragment_367.0500 0.001
loss_49.6500 0.001
fragment_349.9500 0.001
fragment_570.2500 0.001
loss_67.8500 0.001
fragment_447.3500 0.001
fragment_113.9500 0.001
fragment_99.9500 0.001
loss_57.9500 0.001
fragment_320.8500 0.001
fragment_105.9500 0.001

Counts of Classyfire Substituent terms

Term name Count in motif Percentage in motif Percentage in experiment Absolute difference
Hydrocarbon derivative 65 100 100 0
Organooxygen compound 58 89.2 95.3 6.1
Organic nitrogen compound 42 64.6 55.6 9.0
Organonitrogen compound 41 63.1 54.1 9.0
Organopnictogen compound 33 50.8 45.2 5.5
Carbonyl group 32 49.2 44.0 5.2
Azacycle 18 27.7 22.6 5.1
Benzenoid 9 13.8 18.3 4.5
Organoheterocyclic compound 8 12.3 13.3 1.0
Alcohol 6 9.2 14.7 5.4
Heteroaromatic compound 6 9.2 5.8 3.5
Aromatic heteropolycyclic compound 6 9.2 9.6 0.4
Secondary alcohol 4 6.2 7.7 1.6
Oxacycle 4 6.2 7.9 1.8
Aliphatic acyclic compound 3 4.6 2.9 1.7
Amine 3 4.6 4.4 0.2
Primary alcohol 2 3.1 0.9 2.2
Carboxylic acid ester 2 3.1 1.8 1.3
Carboxamide group 2 3.1 5.5 2.4
Oxane 1 1.5 1.9 0.4
O-glycosyl compound 1 1.5 1.2 0.3
Acetal 1 1.5 1.5 0.1

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_5777 922.0090 922.0090 None 1.000 0.226
document_5018 734.9780 734.9780 None 0.967 0.072
document_5778 922.0090 922.0090 None 0.943 0.197
document_4295 692.1030 692.1030 None 0.930 0.074
document_3435 622.0290 622.0290 None 0.828 0.082
document_1246 443.1720 443.1720 None 0.781 0.141
document_1686 471.2140 471.2140 None 0.711 0.478
document_2353 515.2020 515.2020 None 0.705 0.495
document_96 403.0390 403.0390 None 0.688 0.020
document_2419 523.2030 523.2030 None 0.622 0.488
document_3256 603.2950 603.2950 None 0.591 0.460
document_3040 583.5030 583.5030 None 0.545 0.320
document_326 413.2600 413.2600 None 0.545 0.324
document_1454 457.2720 457.2720 None 0.527 0.458
document_1605 465.2320 465.2320 None 0.518 0.460
document_363 413.2680 413.2680 None 0.470 0.320
document_3079 587.2980 587.2980 None 0.438 0.468
document_3129 593.8420 593.8420 None 0.392 0.467
document_341 413.2560 413.2560 None 0.376 0.325
document_327 413.2390 413.2390 None 0.370 0.320
document_3809 657.0720 657.0720 None 0.369 0.071
document_1715 473.2310 473.2310 None 0.367 0.487
document_242 412.1630 412.1630 None 0.338 0.126
document_3202 597.5190 597.5190 None 0.312 0.320
document_3655 639.3280 639.3280 None 0.275 0.328
document_2401 521.2820 521.2820 None 0.226 0.143
document_5835 969.6150 969.6150 None 0.204 0.315
document_3905 667.5980 667.5980 None 0.196 0.315
document_2215 505.6530 505.6530 None 0.191 0.458
document_1172 440.2490 440.2490 None 0.187 0.323
document_2402 521.2800 521.2800 None 0.180 0.143
document_236 411.1570 411.1570 None 0.167 0.315
document_1302 443.3310 443.3310 None 0.165 0.317
document_246 413.1440 413.1440 None 0.145 0.126
document_1463 457.3040 457.3040 None 0.140 0.316
document_343 413.2540 413.2540 None 0.131 0.315
document_2349 514.2480 514.2480 None 0.130 0.145
document_3934 672.3050 672.3050 None 0.122 0.458
document_1475 457.3230 457.3230 None 0.111 0.318
document_1404 453.2230 453.2230 None 0.110 0.126
document_3803 655.3670 655.3670 None 0.105 0.315
document_1318 444.9200 444.9200 None 0.103 0.143
document_276 413.2220 413.2220 None 0.100 0.126
document_269 413.2040 413.2040 None 0.098 0.315
document_3619 638.3120 638.3120 None 0.086 0.315
document_3181 595.3800 595.3800 None 0.084 0.320
document_1817 481.2750 481.2750 None 0.084 0.126
document_681 423.7050 423.7050 None 0.081 0.142
document_1700 472.2750 472.2750 None 0.079 0.269
document_3424 620.3650 620.3650 None 0.079 0.126
document_1234 442.5240 442.5240 None 0.074 0.315
document_2560 537.2230 537.2230 None 0.072 0.272
document_682 424.1980 424.1980 None 0.072 0.143
document_2778 558.3500 558.3500 None 0.071 0.126
document_3665 639.4070 639.4070 None 0.071 0.315
document_1132 437.2300 437.2300 None 0.067 0.126
document_1975 492.4520 492.4520 None 0.064 0.317
document_138 404.1330 404.1330 None 0.063 0.315
document_258 413.1790 413.1790 None 0.063 0.126
document_336 413.2420 413.2420 None 0.063 0.315
document_697 425.1980 425.1980 None 0.059 0.130
document_140 404.1340 404.1340 None 0.055 0.315
document_1355 449.1910 449.1910 None 0.055 0.316
document_516 420.1280 420.1280 None 0.054 0.315
document_1852 485.1490 485.1490 None 0.054 0.147

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.