Mass2Motif: motif_54

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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 0.9478293333513026. 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_318.1500 0.319
fragment_276.1500 0.221
fragment_154.0500 0.038
fragment_319.1500 0.034
loss_136.0500 0.024
fragment_457.0500 0.022
fragment_555.1500 0.020
fragment_143.0500 0.012
fragment_613.2500 0.011
fragment_306.2500 0.010
fragment_75.8500 0.010
loss_164.1500 0.010
fragment_837.4500 0.009
fragment_462.2500 0.009
fragment_556.1500 0.008
fragment_322.0500 0.007
loss_185.1500 0.007
fragment_172.0500 0.007
fragment_530.0500 0.006
loss_96.3500 0.006
fragment_451.0500 0.006
fragment_179.1500 0.006
fragment_439.0500 0.006
fragment_573.1500 0.006
fragment_950.5500 0.005
fragment_306.0500 0.005
fragment_541.3500 0.005
fragment_614.2500 0.004
fragment_251.0500 0.004
fragment_393.0500 0.004
loss_159.0500 0.004
fragment_838.4500 0.004
loss_161.0500 0.004
fragment_148.0500 0.004
fragment_434.0500 0.003
fragment_433.0500 0.003
fragment_951.5500 0.003
fragment_277.0500 0.003
fragment_210.2500 0.002
loss_139.4500 0.002
fragment_382.7500 0.002
fragment_802.5500 0.002
fragment_324.1500 0.002
fragment_395.0500 0.002
loss_156.0500 0.002
fragment_205.0500 0.002
fragment_206.0500 0.002
loss_198.0500 0.002
fragment_323.2500 0.002
fragment_470.3500 0.002
fragment_467.2500 0.002
loss_150.5500 0.002
fragment_261.1500 0.002
loss_199.2500 0.002
fragment_475.7500 0.002
fragment_322.9500 0.002
fragment_557.1500 0.002
fragment_272.5500 0.002
fragment_766.4500 0.002
fragment_157.1500 0.002
fragment_234.1500 0.002
fragment_692.8500 0.002
loss_135.0500 0.002
fragment_536.9500 0.002
loss_89.4500 0.002
fragment_704.0500 0.002
fragment_291.1500 0.002
fragment_366.2500 0.002
fragment_704.7500 0.001
fragment_408.0500 0.001
fragment_540.2500 0.001
fragment_569.3500 0.001
fragment_348.2500 0.001
fragment_392.0500 0.001
fragment_416.0500 0.001
loss_154.1500 0.001
fragment_384.7500 0.001
loss_88.2500 0.001
fragment_433.9500 0.001
fragment_72.0500 0.001
fragment_390.1500 0.001
fragment_654.4500 0.001
fragment_254.1500 0.001
fragment_241.1500 0.001

Counts of Classyfire Substituent terms

Term name Count in motif Percentage in motif Percentage in experiment Absolute difference
Hydrocarbon derivative 44 100 100 0
Organooxygen compound 43 97.7 95.3 2.4
Organic nitrogen compound 39 88.6 55.6 33.0
Organonitrogen compound 38 86.4 54.1 32.2
Organopnictogen compound 32 72.7 45.2 27.5
Carbonyl group 30 68.2 44.0 24.2
Azacycle 21 47.7 22.6 25.1
Organoheterocyclic compound 10 22.7 13.3 9.4
Carboxamide group 8 18.2 5.5 12.7
Benzenoid 7 15.9 18.3 2.4
Aromatic heteropolycyclic compound 6 13.6 9.6 4.0
Alcohol 5 11.4 14.7 3.3
Oxacycle 4 9.1 7.9 1.2
Amine 4 9.1 4.4 4.7
Heteroaromatic compound 4 9.1 5.8 3.3
Aliphatic acyclic compound 2 4.5 2.9 1.6
Carboxylic acid ester 1 2.3 1.8 0.5

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_5758 908.4150 908.4150 None 0.968 0.370
document_3358 613.2720 613.2720 None 0.865 0.363
document_5451 783.2600 783.2600 None 0.850 0.068
document_3890 666.1610 666.1610 None 0.850 0.032
document_2414 522.2190 522.2190 None 0.724 0.397
document_2413 522.2190 522.2190 None 0.680 0.382
document_2411 522.2140 522.2140 None 0.615 0.368
document_2412 522.2190 522.2190 None 0.603 0.372
document_3470 626.3850 626.3850 None 0.583 0.095
document_1946 489.3660 489.3660 None 0.433 0.237
document_245 412.1800 412.1800 None 0.377 0.295
document_1902 488.2120 488.2120 None 0.373 0.369
document_1602 465.1980 465.1980 None 0.343 0.372
document_1944 489.3650 489.3650 None 0.308 0.231
document_1603 465.2010 465.2010 None 0.294 0.363
document_2695 551.2100 551.2100 None 0.273 0.221
document_1313 445.8280 445.8280 None 0.221 0.223
document_1597 464.2480 464.2480 None 0.194 0.263
document_2363 516.3100 516.3100 None 0.159 0.356
document_2261 507.2570 507.2570 None 0.130 0.227
document_4297 692.3620 692.3620 None 0.110 0.547
document_1077 435.1860 435.1860 None 0.102 0.265
document_1121 437.2220 437.2220 None 0.100 0.377
document_2619 543.2710 543.2710 None 0.099 0.041
document_1752 475.3520 475.3520 None 0.093 0.221
document_1947 489.3670 489.3670 None 0.091 0.228
document_1480 458.1980 458.1980 None 0.091 0.043
document_5169 742.4050 742.4050 None 0.082 0.335
document_24 401.1330 401.1330 None 0.079 0.055
document_1766 476.3040 476.3040 None 0.075 0.333
document_1442 456.2330 456.2330 None 0.075 0.250
document_2795 562.2700 562.2700 None 0.074 0.380
document_5594 821.5280 821.5280 None 0.070 0.220
document_2648 546.2930 546.2930 None 0.069 0.346
document_5518 803.3930 803.3930 None 0.067 0.333
document_2559 536.7790 536.7790 None 0.065 0.223
document_2330 513.6110 513.6110 None 0.065 0.320
document_1309 443.3330 443.3330 None 0.065 0.222
document_2569 537.4880 537.4880 None 0.064 0.221
document_1175 441.1180 441.1180 None 0.062 0.223
document_3990 678.3220 678.3220 None 0.062 0.248
document_2650 546.2930 546.2930 None 0.057 0.359
document_3421 620.2580 620.2580 None 0.057 0.319
document_1684 471.0850 471.0850 None 0.051 0.221

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.