Mass2Motif: motif_183

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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 0.9155687679507768. 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_297.1500 0.080
loss_35.9500 0.066
fragment_280.0500 0.044
fragment_262.0500 0.034
fragment_497.1500 0.032
fragment_385.2500 0.031
fragment_576.3500 0.026
loss_50.9500 0.018
fragment_821.3500 0.018
loss_72.6500 0.015
fragment_499.1500 0.015
fragment_266.0500 0.015
fragment_342.1500 0.014
loss_198.9500 0.014
loss_36.0500 0.013
loss_117.7500 0.012
fragment_709.1500 0.012
fragment_461.0500 0.012
fragment_183.0500 0.012
fragment_143.0500 0.011
fragment_64.8500 0.010
loss_34.0500 0.010
fragment_463.0500 0.010
loss_34.9500 0.009
fragment_627.3500 0.009
loss_17.1500 0.009
fragment_269.1500 0.009
fragment_395.1500 0.008
fragment_280.5500 0.008
loss_145.6500 0.007
fragment_525.1500 0.007
fragment_281.0500 0.006
loss_49.9500 0.006
fragment_822.3500 0.006
fragment_226.0500 0.006
fragment_309.0500 0.006
fragment_208.0500 0.006
fragment_93.0500 0.006
fragment_153.0500 0.006
loss_159.0500 0.006
fragment_534.1500 0.005
fragment_498.1500 0.005
fragment_275.0500 0.005
fragment_710.1500 0.005
fragment_936.3500 0.005
fragment_169.0500 0.005
fragment_187.0500 0.004
fragment_767.2500 0.004
fragment_337.0500 0.004
fragment_379.1500 0.004
fragment_423.1500 0.004
loss_149.0500 0.004
fragment_168.0500 0.004
loss_71.9500 0.004
fragment_390.8500 0.004
fragment_463.2500 0.004
fragment_768.6500 0.004
fragment_302.0500 0.004
fragment_299.0500 0.004
fragment_482.1500 0.003
fragment_155.0500 0.003
fragment_386.2500 0.003
loss_187.9500 0.003
fragment_417.1500 0.003
fragment_288.9500 0.003
loss_156.0500 0.003
loss_167.1500 0.003
loss_89.7500 0.003
loss_185.9500 0.003
fragment_967.4500 0.003
fragment_461.1500 0.003
fragment_196.9500 0.003
fragment_500.1500 0.003
fragment_96.0500 0.003
fragment_181.0500 0.003
fragment_300.0500 0.003
fragment_556.2500 0.003
fragment_514.6500 0.003
loss_129.8500 0.003
loss_42.4500 0.003
fragment_314.1500 0.002
fragment_923.2500 0.002
fragment_824.8500 0.002
loss_47.5500 0.002
loss_69.1500 0.002
fragment_553.1500 0.002
loss_189.0500 0.002
fragment_515.1500 0.002
loss_95.9500 0.002
fragment_615.1500 0.002
fragment_937.3500 0.002
fragment_313.0500 0.002
fragment_326.0500 0.002
fragment_579.8500 0.002
fragment_686.2500 0.002
fragment_380.1500 0.002
fragment_431.0500 0.002
loss_95.6500 0.002
fragment_772.9500 0.002
loss_77.9500 0.002
fragment_343.1500 0.002
loss_52.8500 0.002
fragment_819.5500 0.002
loss_142.0500 0.002
loss_107.1500 0.002
loss_104.6500 0.002
loss_26.5500 0.002
fragment_619.5500 0.002
fragment_126.8500 0.002
fragment_550.2500 0.002
fragment_574.1500 0.002
loss_71.6500 0.002
fragment_717.0500 0.002
fragment_526.1500 0.002
fragment_189.1500 0.002
fragment_344.0500 0.002
fragment_102.0500 0.002
fragment_85.0500 0.002
loss_104.5500 0.002
fragment_517.7500 0.002
loss_121.0500 0.002
loss_131.0500 0.002
fragment_751.2500 0.002
loss_28.3500 0.002
fragment_263.1500 0.001
fragment_270.8500 0.001
fragment_730.3500 0.001
fragment_225.0500 0.001
loss_196.9500 0.001
fragment_903.3500 0.001
fragment_462.1500 0.001
loss_18.8500 0.001
fragment_507.1500 0.001
fragment_478.2500 0.001
fragment_421.0500 0.001
fragment_264.0500 0.001
loss_93.7500 0.001
fragment_729.4500 0.001
fragment_172.0500 0.001
fragment_563.1500 0.001
loss_88.7500 0.001
loss_142.8500 0.001
fragment_530.1500 0.001
loss_148.2500 0.001
fragment_993.1500 0.001
fragment_829.7500 0.001
fragment_385.0500 0.001
loss_76.0500 0.001
loss_29.1500 0.001
fragment_453.6500 0.001
loss_131.7500 0.001
fragment_690.7500 0.001
loss_181.6500 0.001
fragment_345.0500 0.001
fragment_616.1500 0.001
loss_197.9500 0.001
loss_48.9500 0.001

Counts of Classyfire Substituent terms

Term name Count in motif Percentage in motif Percentage in experiment Absolute difference
Hydrocarbon derivative 31 100 100 0
Organooxygen compound 30 96.8 95.3 1.4
Organic nitrogen compound 18 58.1 55.6 2.4
Organonitrogen compound 17 54.8 54.1 0.7
Organopnictogen compound 14 45.2 45.2 0.1
Carbonyl group 13 41.9 44.0 2.1
Azacycle 11 35.5 22.6 12.9
Organoheterocyclic compound 6 19.4 13.3 6.0
Alcohol 5 16.1 14.7 1.5
Oxacycle 3 9.7 7.9 1.8
Benzenoid 3 9.7 18.3 8.7
Aromatic heteropolycyclic compound 3 9.7 9.6 0.0
Secondary alcohol 2 6.5 7.7 1.3
Carboxamide group 1 3.2 5.5 2.3
1-hydroxy-2-unsubstituted benzenoid 1 3.2 1.3 1.9
Primary alcohol 1 3.2 0.9 2.4
Heteroaromatic compound 1 3.2 5.8 2.5

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_5849 987.1990 987.1990 None 0.985 0.027
document_2544 535.1530 535.1530 None 0.956 0.141
document_350 414.8200 414.8200 None 0.895 0.185
document_2530 533.1510 533.1510 None 0.887 0.117
document_5706 872.3350 872.3350 None 0.876 0.232
document_2031 497.0680 497.0680 None 0.808 0.127
document_1525 461.0640 461.0640 None 0.792 0.091
document_5910 1141.4390 1141.4390 None 0.784 0.074
document_3719 644.4810 644.4810 None 0.732 0.043
document_5908 1129.7100 1129.7100 None 0.725 0.026
document_2525 533.1430 533.1430 None 0.712 0.159
document_5705 872.3340 872.3340 None 0.662 0.149
document_3070 585.3590 585.3590 None 0.623 0.039
document_1547 463.0780 463.0780 None 0.568 0.063
document_5704 872.3340 872.3340 None 0.476 0.071
document_2188 502.2550 502.2550 None 0.419 0.060
document_223 410.1530 410.1530 None 0.405 0.070
document_3439 622.3110 622.3110 None 0.375 0.043
document_4885 726.4390 726.4390 None 0.358 0.030
document_1399 453.1380 453.1380 None 0.333 0.104
document_2549 535.2790 535.2790 None 0.280 0.082
document_3316 611.1280 611.1280 None 0.234 0.108
document_1413 456.2160 456.2160 None 0.180 0.093
document_3133 591.2920 591.2920 None 0.152 0.100
document_315 413.2370 413.2370 None 0.089 0.085
document_2946 573.0330 573.0330 None 0.074 0.098
document_2742 555.1240 555.1240 None 0.065 0.119
document_1364 450.1960 450.1960 None 0.065 0.053
document_3942 673.3250 673.3250 None 0.063 0.008
document_238 411.2710 411.2710 None 0.060 0.091
document_2970 575.3020 575.3020 None 0.052 0.014

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.