Mass2Motif: motif_35

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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 0.9712326204355655. 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_83.0500 0.133
fragment_280.2500 0.133
fragment_71.0500 0.071
fragment_535.4500 0.063
fragment_263.2500 0.042
fragment_475.4500 0.039
fragment_245.2500 0.037
fragment_182.1500 0.028
fragment_476.4500 0.025
fragment_86.1500 0.023
fragment_291.0500 0.021
fragment_500.3500 0.020
loss_156.1500 0.020
loss_116.1500 0.020
fragment_536.4500 0.015
fragment_97.0500 0.015
fragment_149.1500 0.013
fragment_123.1500 0.013
fragment_81.0500 0.011
fragment_383.3500 0.011
fragment_281.2500 0.010
fragment_407.1500 0.010
fragment_277.0500 0.009
fragment_331.0500 0.009
fragment_104.8500 0.009
fragment_109.1500 0.008
fragment_95.0500 0.008
loss_169.0500 0.007
fragment_151.1500 0.007
fragment_172.0500 0.007
fragment_278.1500 0.007
fragment_315.8500 0.007
loss_131.3500 0.007
fragment_338.2500 0.006
fragment_140.1500 0.006
fragment_154.9500 0.005
fragment_264.2500 0.005
loss_141.0500 0.004
fragment_68.0500 0.004
loss_183.1500 0.004
fragment_129.0500 0.004
fragment_264.0500 0.004
fragment_283.5500 0.004
fragment_163.1500 0.003
loss_135.0500 0.003
fragment_179.1500 0.003
loss_64.1500 0.003
fragment_552.2500 0.003
fragment_97.1500 0.003
fragment_308.9500 0.003
loss_60.2500 0.003
loss_130.1500 0.002
fragment_305.0500 0.002
fragment_354.9500 0.002
fragment_428.8500 0.002
loss_150.6500 0.002
fragment_294.0500 0.002
fragment_324.0500 0.002
fragment_460.3500 0.002
loss_129.1500 0.002
fragment_111.1500 0.002
fragment_189.4500 0.002
fragment_351.0500 0.002
fragment_319.0500 0.002
fragment_306.0500 0.002
fragment_114.0500 0.002
fragment_323.0500 0.002
fragment_519.9500 0.002
loss_169.2500 0.002
fragment_406.1500 0.001
fragment_246.2500 0.001
fragment_316.8500 0.001
fragment_268.2500 0.001

Counts of Classyfire Substituent terms

Term name Count in motif Percentage in motif Percentage in experiment Absolute difference
Hydrocarbon derivative 39 100 100 0
Organooxygen compound 39 100 95.3 4.7
Carbonyl group 23 59.0 44.0 14.9
Organic nitrogen compound 15 38.5 55.6 17.2
Organonitrogen compound 13 33.3 54.1 20.8
Organopnictogen compound 11 28.2 45.2 17.0
Alcohol 7 17.9 14.7 3.3
Aliphatic acyclic compound 5 12.8 2.9 9.9
Azacycle 3 7.7 22.6 14.9
Benzenoid 2 5.1 18.3 13.2
Heteroaromatic compound 2 5.1 5.8 0.6
Aromatic heteropolycyclic compound 2 5.1 9.6 4.5
Organoheterocyclic compound 2 5.1 13.3 8.2
Oxacycle 1 2.6 7.9 5.3
Carboxylic acid ester 1 2.6 1.8 0.8
Secondary alcohol 1 2.6 7.7 5.1

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_2786 559.5200 559.5200 None 0.937 0.403
document_3396 616.4320 616.4320 None 0.774 0.365
document_2546 535.2570 535.2570 None 0.714 0.068
document_1338 447.2100 447.2100 None 0.694 0.104
document_4826 718.5370 718.5370 None 0.433 0.237
document_3397 616.4320 616.4320 None 0.406 0.109
document_3972 676.4560 676.4560 None 0.373 0.427
document_3194 595.5430 595.5430 None 0.362 0.393
document_3975 676.4660 676.4660 None 0.361 0.153
document_1885 485.3970 485.3970 None 0.340 0.389
document_2785 559.4170 559.4170 None 0.316 0.184
document_4531 705.5430 705.5430 None 0.259 0.302
document_2574 537.4880 537.4880 None 0.249 0.251
document_4238 690.4440 690.4440 None 0.227 0.351
document_1654 468.3690 468.3690 None 0.214 0.254
document_3009 579.5350 579.5350 None 0.206 0.242
document_4212 690.4150 690.4150 None 0.201 0.356
document_3964 676.2690 676.2690 None 0.199 0.232
document_2253 506.5290 506.5290 None 0.167 0.219
document_1639 467.3860 467.3860 None 0.149 0.234
document_4177 689.1730 689.1730 None 0.142 0.163
document_1625 467.1000 467.1000 None 0.123 0.278
document_4704 716.4750 716.4750 None 0.096 0.282
document_4369 698.4390 698.4390 None 0.091 0.235
document_2244 506.5300 506.5300 None 0.090 0.204
document_4251 690.4020 690.4020 None 0.088 0.220
document_4785 718.4720 718.4720 None 0.085 0.218
document_2233 506.5770 506.5770 None 0.082 0.137
document_3982 677.4710 677.4710 None 0.082 0.028
document_4715 716.4610 716.4610 None 0.079 0.294
document_2231 506.5290 506.5290 None 0.076 0.160
document_2569 537.4880 537.4880 None 0.073 0.114
document_3136 591.5100 591.5100 None 0.058 0.146
document_87 401.9080 401.9080 None 0.057 0.214
document_61 401.2480 401.2480 None 0.056 0.094
document_2200 504.3900 504.3900 None 0.056 0.230
document_1638 467.3860 467.3860 None 0.056 0.203
document_3311 609.5220 609.5220 None 0.052 0.209
document_4275 690.5060 690.5060 None 0.052 0.251

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.