Mass2Motif: motif_114

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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 0.9206907958953707. 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_249.1500 0.288
fragment_277.1500 0.215
fragment_68.0500 0.195
fragment_290.1500 0.027
fragment_136.0500 0.018
fragment_878.5500 0.016
fragment_390.2500 0.013
fragment_879.5500 0.010
fragment_278.1500 0.009
fragment_376.2500 0.008
fragment_929.4500 0.008
fragment_763.4500 0.005
fragment_512.7500 0.004
fragment_377.2500 0.004
loss_82.0500 0.004
fragment_750.3500 0.004
fragment_148.1500 0.004
fragment_250.1500 0.003
fragment_363.0500 0.003
fragment_348.2500 0.003
fragment_861.4500 0.003
fragment_171.0500 0.002
fragment_346.1500 0.002
fragment_489.3500 0.002
fragment_461.3500 0.002
fragment_288.1500 0.002
fragment_401.1500 0.002
fragment_764.4500 0.002
fragment_889.6500 0.002
fragment_498.7500 0.002
loss_131.3500 0.002
loss_55.2500 0.002
fragment_198.3500 0.002
fragment_365.4500 0.002
fragment_385.2500 0.002
fragment_470.2500 0.002
loss_188.5500 0.002
fragment_243.8500 0.002
loss_169.3500 0.002
fragment_505.2500 0.002
loss_89.5500 0.002
fragment_695.3500 0.002
fragment_536.2500 0.001
fragment_677.2500 0.001
fragment_747.4500 0.001
fragment_377.1500 0.001
fragment_833.8500 0.001
loss_58.5500 0.001
fragment_216.5500 0.001
fragment_152.9500 0.001
loss_71.4500 0.001
fragment_365.0500 0.001
fragment_727.6500 0.001
fragment_466.9500 0.001
loss_127.9500 0.001
loss_105.0500 0.001
fragment_840.2500 0.001
fragment_944.4500 0.001
loss_167.6500 0.001
fragment_427.1500 0.001
fragment_621.6500 0.001
fragment_545.3500 0.001
loss_99.8500 0.001
fragment_309.1500 0.001
loss_90.5500 0.001
fragment_186.0500 0.001
fragment_854.2500 0.001
fragment_980.4500 0.001
fragment_687.3500 0.001
loss_63.5500 0.001
loss_168.6500 0.001
fragment_426.1500 0.001
fragment_531.3500 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 62 95.4 95.3 0.1
Organic nitrogen compound 42 64.6 55.6 9.0
Organonitrogen compound 42 64.6 54.1 10.5
Organopnictogen compound 38 58.5 45.2 13.2
Carbonyl group 29 44.6 44.0 0.6
Azacycle 19 29.2 22.6 6.6
Benzenoid 14 21.5 18.3 3.2
Organoheterocyclic compound 10 15.4 13.3 2.1
Alcohol 8 12.3 14.7 2.3
Aromatic heteropolycyclic compound 8 12.3 9.6 2.7
Heteroaromatic compound 6 9.2 5.8 3.5
Secondary alcohol 5 7.7 7.7 0.0
Carboxylic acid ester 4 6.2 1.8 4.3
Oxacycle 4 6.2 7.9 1.8
Carboxamide group 3 4.6 5.5 0.9
Aliphatic acyclic compound 1 1.5 2.9 1.4
Oxane 1 1.5 1.9 0.4
Amine 1 1.5 4.4 2.8
Primary alcohol 1 1.5 0.9 0.7
Acetal 1 1.5 1.5 0.1
1-hydroxy-2-unsubstituted benzenoid 1 1.5 1.3 0.3
Vinylogous acid 1 1.5 0.1 1.5
Phenol 1 1.5 0.5 1.1

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_1727 474.1770 474.1770 None 0.859 0.310
document_3149 594.3450 594.3450 None 0.786 0.538
document_3151 594.8230 594.8230 None 0.597 0.612
document_2830 564.3360 564.3360 None 0.595 0.561
document_2260 507.2500 507.2500 None 0.473 0.292
document_5505 799.0350 799.0350 None 0.456 0.034
document_2223 507.5400 507.5400 None 0.442 0.548
document_1794 479.2500 479.2500 None 0.436 0.548
document_2729 554.0420 554.0420 None 0.339 0.498
document_2944 571.2740 571.2740 None 0.329 0.029
document_1143 437.2350 437.2350 None 0.328 0.196
document_3707 645.2020 645.2020 None 0.254 0.297
document_1795 479.2640 479.2640 None 0.217 0.526
document_1741 475.2560 475.2560 None 0.192 0.215
document_271 413.2030 413.2030 None 0.185 0.199
document_1998 495.2410 495.2410 None 0.180 0.503
document_391 415.2540 415.2540 None 0.167 0.197
document_2422 523.2770 523.2770 None 0.167 0.516
document_4085 681.5830 681.5830 None 0.156 0.195
document_3161 595.3300 595.3300 None 0.152 0.197
document_201 408.2470 408.2470 None 0.138 0.310
document_3173 595.3010 595.3010 None 0.137 0.292
document_3620 638.5830 638.5830 None 0.134 0.195
document_2710 551.3550 551.3550 None 0.116 0.196
document_1521 460.2750 460.2750 None 0.109 0.288
document_1269 443.2390 443.2390 None 0.104 0.287
document_60 401.2470 401.2470 None 0.104 0.288
document_1268 443.2390 443.2390 None 0.104 0.288
document_180 407.8670 407.8670 None 0.103 0.526
document_2831 564.3370 564.3370 None 0.100 0.310
document_2350 514.2860 514.2860 None 0.100 0.288
document_2800 561.3640 561.3640 None 0.091 0.506
document_3662 639.4070 639.4070 None 0.090 0.197
document_1378 451.1210 451.1210 None 0.090 0.288
document_2926 569.7780 569.7780 None 0.088 0.503
document_5084 738.4580 738.4580 None 0.087 0.195
document_74 401.2530 401.2530 None 0.083 0.224
document_1261 443.2420 443.2420 None 0.082 0.289
document_1484 458.6940 458.6940 None 0.078 0.195
document_244 412.5410 412.5410 None 0.076 0.195
document_347 414.8470 414.8470 None 0.075 0.506
document_2194 503.2430 503.2430 None 0.073 0.216
document_849 429.3180 429.3180 None 0.070 0.195
document_72 401.6130 401.6130 None 0.069 0.288
document_2698 551.3340 551.3340 None 0.068 0.196
document_256 413.2770 413.2770 None 0.066 0.196
document_187 408.7760 408.7760 None 0.066 0.307
document_2604 541.2480 541.2480 None 0.065 0.288
document_218 409.1950 409.1950 None 0.065 0.045
document_811 429.2420 429.2420 None 0.065 0.288
document_808 429.2430 429.2430 None 0.063 0.306
document_1945 489.3670 489.3670 None 0.062 0.218
document_3077 587.2850 587.2850 None 0.061 0.485
document_2560 537.2230 537.2230 None 0.061 0.306
document_438 418.7540 418.7540 None 0.059 0.195
document_3452 625.3120 625.3120 None 0.059 0.292
document_181 407.9460 407.9460 None 0.058 0.409
document_1875 485.3450 485.3450 None 0.056 0.213
document_29 401.1930 401.1930 None 0.055 0.287
document_2695 551.2100 551.2100 None 0.054 0.216
document_1221 442.4490 442.4490 None 0.053 0.288
document_475 419.2750 419.2750 None 0.053 0.215
document_2728 554.1510 554.1510 None 0.052 0.288
document_1912 487.3570 487.3570 None 0.051 0.215
document_1403 453.2030 453.2030 None 0.051 0.294

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.