Mass2Motif: motif_184

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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 0.953127190608483. 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_213.1500 0.304
fragment_203.1500 0.172
fragment_231.1500 0.166
fragment_185.1500 0.163
fragment_265.1500 0.021
fragment_72.0500 0.014
fragment_232.1500 0.010
fragment_214.1500 0.008
fragment_132.1500 0.007
fragment_408.2500 0.004
fragment_164.9500 0.004
loss_162.1500 0.004
loss_174.2500 0.004
fragment_148.0500 0.003
fragment_325.2500 0.003
fragment_330.1500 0.003
fragment_55.0500 0.003
fragment_242.9500 0.003
fragment_326.2500 0.003
fragment_272.1500 0.002
fragment_252.1500 0.002
fragment_655.3500 0.002
loss_161.1500 0.002
loss_129.1500 0.002
fragment_291.1500 0.002
fragment_52.1500 0.002
loss_18.4500 0.002
fragment_456.8500 0.002
fragment_478.6500 0.002
fragment_285.8500 0.002
fragment_655.8500 0.002
loss_157.4500 0.002
fragment_87.0500 0.002
loss_100.1500 0.002
loss_130.4500 0.002
fragment_199.1500 0.002
fragment_375.1500 0.002
loss_88.0500 0.001
fragment_279.1500 0.001
fragment_157.0500 0.001
loss_113.2500 0.001
loss_37.1500 0.001
loss_167.1500 0.001
loss_103.4500 0.001
fragment_311.8500 0.001
fragment_166.1500 0.001
fragment_266.1500 0.001
fragment_148.4500 0.001
fragment_251.0500 0.001
loss_37.4500 0.001
fragment_405.8500 0.001
loss_186.2500 0.001
fragment_278.1500 0.001
fragment_189.9500 0.001
loss_158.2500 0.001

Counts of Classyfire Substituent terms

Term name Count in motif Percentage in motif Percentage in experiment Absolute difference
Hydrocarbon derivative 88 100 100 0
Organooxygen compound 88 100 95.3 4.7
Carbonyl group 73 83.0 44.0 38.9
Organonitrogen compound 63 71.6 54.1 17.5
Organic nitrogen compound 61 69.3 55.6 13.7
Organopnictogen compound 52 59.1 45.2 13.8
Azacycle 22 25 22.6 2.4
Organoheterocyclic compound 13 14.8 13.3 1.5
Alcohol 8 9.1 14.7 5.6
Benzenoid 7 8.0 18.3 10.4
Oxacycle 7 8.0 7.9 0.0
Carboxamide group 7 8.0 5.5 2.5
Carboxylic acid ester 7 8.0 1.8 6.2
Secondary alcohol 4 4.5 7.7 3.2
Oxane 3 3.4 1.9 1.5
Amine 2 2.3 4.4 2.1
O-glycosyl compound 2 2.3 1.2 1.1
Primary alcohol 2 2.3 0.9 1.4
Polyol 2 2.3 1.6 0.7
Heteroaromatic compound 1 1.1 5.8 4.6
1-hydroxy-2-unsubstituted benzenoid 1 1.1 1.3 0.1
Acetal 1 1.1 1.5 0.3
Glycosyl compound 1 1.1 0.7 0.4

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_411 416.2410 416.2410 None 0.880 0.315
document_2759 556.3330 556.3330 None 0.736 0.345
document_405 415.2900 415.2900 None 0.618 0.661
document_3134 591.3240 591.3240 None 0.616 0.175
document_352 413.2630 413.2630 None 0.589 0.658
document_688 425.1750 425.1750 None 0.559 0.492
document_1285 443.3250 443.3250 None 0.540 0.665
document_1530 461.2620 461.2620 None 0.533 0.364
document_2508 531.3470 531.3470 None 0.516 0.480
document_1287 443.3250 443.3250 None 0.476 0.509
document_1778 477.3070 477.3070 None 0.471 0.507
document_1744 475.2900 475.2900 None 0.423 0.518
document_1430 457.2260 457.2260 None 0.414 0.493
document_1691 473.0800 473.0800 None 0.391 0.489
document_2980 576.3310 576.3310 None 0.389 0.337
document_1964 491.3220 491.3220 None 0.325 0.490
document_1494 458.2980 458.2980 None 0.323 0.311
document_830 429.3330 429.3330 None 0.308 0.352
document_1456 457.4610 457.4610 None 0.294 0.657
document_1482 458.2060 458.2060 None 0.293 0.483
document_1216 441.3030 441.3030 None 0.293 0.344
document_1169 441.9840 441.9840 None 0.273 0.649
document_2606 541.3020 541.3020 None 0.272 0.492
document_2755 556.3320 556.3320 None 0.227 0.505
document_2758 556.3330 556.3330 None 0.226 0.304
document_3289 609.1380 609.1380 None 0.220 0.184
document_1284 443.7330 443.7330 None 0.202 0.633
document_1225 441.3060 441.3060 None 0.181 0.308
document_2979 576.3130 576.3130 None 0.174 0.339
document_2607 541.3010 541.3010 None 0.166 0.491
document_1703 472.3120 472.3120 None 0.164 0.470
document_1481 457.5250 457.5250 None 0.152 0.305
document_1794 479.2500 479.2500 None 0.152 0.187
document_323 413.2370 413.2370 None 0.149 0.304
document_1483 458.0550 458.0550 None 0.142 0.481
document_330 413.2440 413.2440 None 0.138 0.347
document_1288 443.8980 443.8980 None 0.133 0.480
document_419 417.2370 417.2370 None 0.130 0.190
document_1508 459.2800 459.2800 None 0.130 0.211
document_5518 803.3930 803.3930 None 0.126 0.174
document_1688 473.2600 473.2600 None 0.126 0.482
document_1949 490.2640 490.2640 None 0.119 0.166
document_2830 564.3360 564.3360 None 0.117 0.483
document_1464 457.3020 457.3020 None 0.117 0.316
document_1429 455.9340 455.9340 None 0.116 0.478
document_2223 507.5400 507.5400 None 0.114 0.346
document_402 415.2880 415.2880 None 0.114 0.329
document_2174 500.3450 500.3450 None 0.113 0.337
document_838 429.2990 429.2990 None 0.113 0.192
document_39 401.7740 401.7740 None 0.112 0.348
document_400 415.2870 415.2870 None 0.111 0.341
document_790 429.1950 429.1950 None 0.110 0.172
document_3591 636.3590 636.3590 None 0.108 0.669
document_91 402.4470 402.4470 None 0.100 0.172
document_5466 787.3980 787.3980 None 0.098 0.172
document_420 417.2340 417.2340 None 0.097 0.172
document_798 429.1800 429.1800 None 0.095 0.187
document_3612 638.2590 638.2590 None 0.091 0.336
document_833 429.2680 429.2680 None 0.090 0.339
document_2930 570.9650 570.9650 None 0.088 0.330
document_1982 493.2780 493.2780 None 0.087 0.317
document_1738 475.2690 475.2690 None 0.084 0.504
document_1365 450.2180 450.2180 None 0.083 0.467
document_3195 596.3120 596.3120 None 0.081 0.484
document_1459 458.3830 458.3830 None 0.081 0.192
document_1114 436.4680 436.4680 None 0.079 0.317
document_2366 516.3020 516.3020 None 0.076 0.479
document_2415 522.2560 522.2560 None 0.076 0.172
document_3901 667.4760 667.4760 None 0.075 0.470
document_232 411.1490 411.1490 None 0.073 0.303
document_744 428.8720 428.8720 None 0.071 0.343
document_3149 594.3450 594.3450 None 0.070 0.489
document_4971 732.5380 732.5380 None 0.068 0.172
document_2716 553.2530 553.2530 None 0.064 0.490
document_1340 447.2460 447.2460 None 0.062 0.182
document_404 416.1650 416.1650 None 0.060 0.345
document_1505 459.4010 459.4010 None 0.060 0.179
document_397 416.5030 416.5030 None 0.059 0.180
document_745 428.0090 428.0090 None 0.058 0.318
document_3614 638.2680 638.2680 None 0.057 0.172
document_3268 604.3690 604.3690 None 0.057 0.482
document_4647 713.4450 713.4450 None 0.056 0.305
document_288 413.2150 413.2150 None 0.056 0.306
document_292 413.2320 413.2320 None 0.053 0.341
document_3835 659.8140 659.8140 None 0.053 0.355
document_2477 529.2320 529.2320 None 0.051 0.317
document_26 401.2820 401.2820 None 0.051 0.198
document_4954 731.3110 731.3110 None 0.051 0.173

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.