Mass2Motif: motif_263

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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 0.9284950021129558. 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_237.1500 0.284
fragment_146.0500 0.154
loss_38.0500 0.101
fragment_167.0500 0.058
loss_39.1500 0.034
fragment_372.3500 0.028
fragment_238.1500 0.014
loss_66.0500 0.014
fragment_373.2500 0.013
fragment_117.0500 0.013
fragment_292.1500 0.011
fragment_795.5500 0.010
fragment_373.3500 0.010
fragment_737.4500 0.009
fragment_392.1500 0.007
fragment_236.1500 0.007
fragment_853.5500 0.006
fragment_302.0500 0.006
fragment_432.3500 0.006
fragment_969.6500 0.005
fragment_393.2500 0.005
fragment_98.0500 0.005
fragment_290.6500 0.004
fragment_854.5500 0.004
loss_65.0500 0.004
fragment_218.1500 0.004
fragment_295.6500 0.004
fragment_970.6500 0.004
fragment_179.0500 0.004
fragment_501.7500 0.004
loss_45.5500 0.004
fragment_181.0500 0.004
loss_151.2500 0.004
loss_98.1500 0.004
fragment_442.1500 0.003
fragment_796.5500 0.003
fragment_374.2500 0.003
fragment_543.3500 0.003
loss_48.0500 0.003
fragment_210.0500 0.003
fragment_103.0500 0.003
fragment_149.1500 0.003
fragment_442.2500 0.002
fragment_388.2500 0.002
fragment_717.8500 0.002
fragment_247.6500 0.002
fragment_153.1500 0.002
loss_134.3500 0.002
loss_198.2500 0.002
fragment_233.0500 0.002
fragment_296.9500 0.002
fragment_308.1500 0.002
fragment_643.8500 0.002
fragment_701.7500 0.002
fragment_315.1500 0.002
loss_137.5500 0.002
fragment_217.0500 0.002
fragment_402.5500 0.002
fragment_704.1500 0.002
fragment_679.4500 0.002
fragment_881.5500 0.001
fragment_738.5500 0.001
fragment_187.5500 0.001
loss_88.0500 0.001
loss_165.6500 0.001
fragment_649.3500 0.001
loss_136.3500 0.001
loss_38.1500 0.001
fragment_433.3500 0.001
fragment_479.2500 0.001
fragment_332.1500 0.001
fragment_715.4500 0.001
fragment_429.2500 0.001
fragment_397.5500 0.001
fragment_116.1500 0.001
fragment_692.8500 0.001
fragment_675.2500 0.001
fragment_782.4500 0.001
fragment_304.1500 0.001
loss_170.5500 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 40 90.9 95.3 4.4
Carbonyl group 22 50 44.0 6.0
Organic nitrogen compound 21 47.7 55.6 7.9
Organopnictogen compound 18 40.9 45.2 4.3
Organonitrogen compound 18 40.9 54.1 13.2
Benzenoid 12 27.3 18.3 8.9
Azacycle 12 27.3 22.6 4.7
Aromatic heteropolycyclic compound 7 15.9 9.6 6.3
Heteroaromatic compound 5 11.4 5.8 5.6
Amine 4 9.1 4.4 4.7
Alcohol 4 9.1 14.7 5.6
Secondary alcohol 3 6.8 7.7 0.9
Oxacycle 3 6.8 7.9 1.1
Organoheterocyclic compound 2 4.5 13.3 8.8
Carboxylic acid ester 1 2.3 1.8 0.5
1-hydroxy-2-unsubstituted benzenoid 1 2.3 1.3 1.0
O-glycosyl compound 1 2.3 1.2 1.1
Acetal 1 2.3 1.5 0.8
Carboxamide group 1 2.3 5.5 3.2

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_5656 841.7000 841.7000 None 0.975 0.359
document_1024 431.2940 431.2940 None 0.707 0.313
document_2583 540.3500 540.3500 None 0.634 0.154
document_3389 615.5060 615.5060 None 0.566 0.149
document_3388 615.5070 615.5070 None 0.556 0.166
document_1595 463.3150 463.3150 None 0.484 0.108
document_2991 577.1650 577.1650 None 0.463 0.367
document_1741 475.2560 475.2560 None 0.462 0.302
document_5835 969.6150 969.6150 None 0.446 0.177
document_2661 547.2920 547.2920 None 0.412 0.183
document_1036 432.3450 432.3450 None 0.338 0.350
document_240 411.7190 411.7190 None 0.334 0.169
document_2618 542.8870 542.8870 None 0.299 0.037
document_3498 629.9460 629.9460 None 0.298 0.056
document_1393 452.4240 452.4240 None 0.294 0.039
document_34 401.2010 401.2010 None 0.221 0.157
document_3002 577.7780 577.7780 None 0.214 0.345
document_3001 577.7770 577.7770 None 0.207 0.302
document_2159 499.2420 499.2420 None 0.166 0.296
document_4241 690.4020 690.4020 None 0.145 0.284
document_755 429.1650 429.1650 None 0.115 0.101
document_782 429.8200 429.8200 None 0.109 0.154
document_2801 561.3940 561.3940 None 0.109 0.295
document_409 416.1930 416.1930 None 0.108 0.154
document_487 420.0190 420.0190 None 0.102 0.058
document_1020 432.1920 432.1920 None 0.100 0.153
document_2269 507.3050 507.3050 None 0.095 0.319
document_776 429.1790 429.1790 None 0.088 0.101
document_777 429.1780 429.1780 None 0.088 0.101
document_719 426.3190 426.3190 None 0.088 0.284
document_2407 521.3510 521.3510 None 0.086 0.071
document_756 429.1750 429.1750 None 0.068 0.101
document_3401 617.3460 617.3460 None 0.068 0.286
document_5030 736.6070 736.6070 None 0.067 0.034
document_4079 680.9280 680.9280 None 0.067 0.295
document_793 429.1790 429.1790 None 0.067 0.101
document_2578 538.9640 538.9640 None 0.064 0.154
document_1886 486.2030 486.2030 None 0.062 0.058
document_2768 557.2890 557.2890 None 0.060 0.438
document_4222 690.4020 690.4020 None 0.060 0.284
document_5079 738.3950 738.3950 None 0.057 0.285
document_1299 443.3310 443.3310 None 0.056 0.057
document_702 425.9320 425.9320 None 0.054 0.284
document_748 428.2380 428.2380 None 0.053 0.289

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.