Mass2Motif: motif_288

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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 0.9356930862352846. 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_302.1500 0.390
fragment_414.2500 0.157
loss_170.1500 0.140
fragment_415.2500 0.073
fragment_303.1500 0.048
fragment_189.1500 0.022
fragment_416.2500 0.020
loss_169.1500 0.010
fragment_389.1500 0.007
loss_186.9500 0.006
fragment_70.0500 0.005
loss_111.8500 0.005
loss_150.1500 0.004
fragment_322.0500 0.004
fragment_402.1500 0.004
fragment_226.1500 0.003
fragment_340.1500 0.003
fragment_400.1500 0.003
fragment_86.0500 0.002
fragment_240.3500 0.002
fragment_220.7500 0.002
fragment_377.1500 0.002
fragment_390.1500 0.002
fragment_205.0500 0.002
fragment_304.1500 0.002
fragment_286.5500 0.002
fragment_561.2500 0.002
loss_17.0500 0.002
fragment_228.1500 0.001
fragment_725.3500 0.001
fragment_245.0500 0.001
fragment_543.2500 0.001
fragment_686.3500 0.001
fragment_403.1500 0.001
fragment_508.1500 0.001
loss_153.1500 0.001
loss_42.1500 0.001
fragment_330.1500 0.001
fragment_384.1500 0.001
fragment_786.3500 0.001

Counts of Classyfire Substituent terms

Term name Count in motif Percentage in motif Percentage in experiment Absolute difference
Hydrocarbon derivative 97 100 100 0
Organooxygen compound 96 99.0 95.3 3.6
Organic nitrogen compound 70 72.2 55.6 16.5
Organonitrogen compound 70 72.2 54.1 18.1
Organopnictogen compound 61 62.9 45.2 17.6
Carbonyl group 59 60.8 44.0 16.8
Azacycle 38 39.2 22.6 16.6
Organoheterocyclic compound 24 24.7 13.3 11.4
Carboxamide group 13 13.4 5.5 7.9
Alcohol 9 9.3 14.7 5.4
Benzenoid 8 8.2 18.3 10.1
Oxacycle 7 7.2 7.9 0.7
Secondary alcohol 6 6.2 7.7 1.5
Heteroaromatic compound 4 4.1 5.8 1.6
Aromatic heteropolycyclic compound 4 4.1 9.6 5.5
1-hydroxy-2-unsubstituted benzenoid 3 3.1 1.3 1.8
Phenol 2 2.1 0.5 1.6
Amine 2 2.1 4.4 2.3
Oxane 1 1.0 1.9 0.9
Polyol 1 1.0 1.6 0.6
1-hydroxy-4-unsubstituted benzenoid 1 1.0 0.2 0.8

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_4632 712.8340 712.8340 None 0.814 0.450
document_3827 659.3150 659.3150 None 0.759 0.531
document_4348 695.3410 695.3410 None 0.692 0.261
document_1695 472.2410 472.2410 None 0.684 0.598
document_3990 678.3220 678.3220 None 0.668 0.451
document_3842 661.3180 661.3180 None 0.654 0.241
document_4479 703.3190 703.3190 None 0.642 0.464
document_2682 550.2640 550.2640 None 0.631 0.608
document_1696 472.2710 472.2710 None 0.612 0.618
document_3844 661.3200 661.3200 None 0.581 0.261
document_1698 472.2640 472.2640 None 0.571 0.597
document_2684 550.2740 550.2740 None 0.527 0.457
document_1418 455.3310 455.3310 None 0.385 0.689
document_1425 455.2860 455.2860 None 0.377 0.622
document_3843 661.3160 661.3160 None 0.346 0.237
document_1921 488.2540 488.2540 None 0.344 0.458
document_364 414.0620 414.0620 None 0.342 0.429
document_1519 460.2200 460.2200 None 0.338 0.452
document_1420 455.2580 455.2580 None 0.315 0.629
document_3006 579.9950 579.9950 None 0.294 0.390
document_3840 661.2850 661.2850 None 0.288 0.629
document_2491 529.3200 529.3200 None 0.269 0.179
document_2631 545.2910 545.2910 None 0.265 0.162
document_389 415.2590 415.2590 None 0.264 0.466
document_2709 551.3320 551.3320 None 0.259 0.093
document_2630 545.2890 545.2890 None 0.251 0.153
document_1438 455.3320 455.3320 None 0.250 0.391
document_1700 472.2750 472.2750 None 0.246 0.438
document_281 413.2150 413.2150 None 0.244 0.445
document_3713 644.3270 644.3270 None 0.238 0.152
document_3714 644.3300 644.3300 None 0.220 0.157
document_3836 661.2800 661.2800 None 0.198 0.633
document_1372 450.3200 450.3200 HMDB:HMDB00631-862 Deoxycholic acid glycine conjugate 0.187 0.158
document_3384 615.3620 615.3620 None 0.185 0.486
document_1419 455.2580 455.2580 None 0.183 0.231
document_310 413.2160 413.2160 None 0.181 0.397
document_2996 579.2530 579.2530 None 0.174 0.439
document_2478 528.3040 528.3040 None 0.163 0.244
document_2647 546.4080 546.4080 None 0.154 0.538
document_98 403.1120 403.1120 None 0.147 0.446
document_3412 619.3140 619.3140 None 0.142 0.124
document_311 413.2160 413.2160 None 0.142 0.393
document_1424 455.3140 455.3140 None 0.140 0.391
document_4610 712.0180 712.0180 None 0.140 0.438
document_4921 727.8370 727.8370 None 0.133 0.437
document_4351 695.3370 695.3370 None 0.130 0.488
document_1421 455.2570 455.2570 None 0.129 0.231
document_2494 529.3110 529.3110 None 0.129 0.164
document_1497 459.3880 459.3880 None 0.121 0.396
document_343 413.2540 413.2540 None 0.120 0.392
document_297 413.2150 413.2150 None 0.116 0.392
document_4362 697.3660 697.3660 None 0.108 0.398
document_4919 727.8360 727.8360 None 0.107 0.390
document_42 402.3110 402.3110 None 0.106 0.393
document_286 413.2150 413.2150 None 0.106 0.399
document_5316 760.4860 760.4860 None 0.105 0.157
document_395 415.2570 415.2570 None 0.103 0.390
document_4920 727.8360 727.8360 None 0.100 0.391
document_396 415.2580 415.2580 None 0.093 0.393
document_160 405.2790 405.2790 None 0.092 0.140
document_4291 691.4180 691.4180 None 0.091 0.641
document_3052 584.3900 584.3900 None 0.089 0.297
document_1518 460.2190 460.2190 None 0.086 0.447
document_1112 435.2600 435.2600 None 0.086 0.160
document_4533 704.8330 704.8330 None 0.085 0.390
document_2583 540.3500 540.3500 None 0.085 0.022
document_293 413.2150 413.2150 None 0.084 0.391
document_2439 525.2890 525.2890 None 0.083 0.164
document_4861 722.8320 722.8320 None 0.077 0.547
document_327 413.2390 413.2390 None 0.077 0.389
document_2375 517.3030 517.3030 None 0.077 0.438
document_400 415.2870 415.2870 None 0.076 0.439
document_1432 458.8770 458.8770 None 0.074 0.452
document_3236 601.2920 601.2920 None 0.071 0.162
document_3152 595.2860 595.2860 None 0.069 0.094
document_5836 970.3260 970.3260 None 0.069 0.392
document_1031 433.2670 433.2670 None 0.065 0.222
document_26 401.2820 401.2820 None 0.065 0.547
document_1014 431.2500 431.2500 None 0.064 0.030
document_394 415.2570 415.2570 None 0.064 0.400
document_3207 598.3070 598.3070 None 0.063 0.397
document_5515 802.4580 802.4580 None 0.063 0.251
document_2191 502.3140 502.3140 None 0.062 0.022
document_3065 585.3230 585.3230 None 0.061 0.610
document_1338 447.2100 447.2100 None 0.060 0.140
document_2640 545.8660 545.8660 None 0.058 0.265
document_4901 727.3820 727.3820 None 0.058 0.159
document_3622 638.4570 638.4570 None 0.057 0.029
document_2997 577.4820 577.4820 None 0.056 0.390
document_2509 531.3840 531.3840 None 0.056 0.390
document_4088 682.3750 682.3750 None 0.055 0.554
document_5703 871.4490 871.4490 None 0.055 0.140
document_338 413.2460 413.2460 None 0.054 0.387
document_2397 520.3340 520.3340 None 0.053 0.075
document_4087 682.3740 682.3740 None 0.052 0.446
document_5466 787.3980 787.3980 None 0.051 0.471
document_5465 787.3770 787.3770 None 0.051 0.449

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.