Mass2Motif: motif_226

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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 0.940837837188702. 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_104.0500 0.134
fragment_625.5500 0.130
fragment_626.5500 0.058
fragment_56.0500 0.042
fragment_788.5500 0.035
fragment_521.4500 0.035
loss_57.8500 0.034
fragment_164.9500 0.033
fragment_373.2500 0.030
fragment_789.5500 0.027
fragment_723.4500 0.022
fragment_581.4500 0.020
fragment_321.2500 0.019
fragment_463.3500 0.018
loss_82.0500 0.018
fragment_385.2500 0.018
loss_40.0500 0.014
fragment_373.3500 0.012
fragment_374.2500 0.011
fragment_627.5500 0.011
fragment_790.5500 0.011
fragment_323.2500 0.010
fragment_582.4500 0.009
loss_56.8500 0.009
fragment_148.0500 0.009
loss_39.0500 0.006
fragment_856.5500 0.006
fragment_389.2500 0.006
fragment_365.2500 0.006
fragment_271.2500 0.006
fragment_464.3500 0.005
fragment_103.0500 0.004
loss_158.0500 0.004
fragment_55.0500 0.004
fragment_884.4500 0.004
fragment_375.2500 0.004
fragment_80.0500 0.004
fragment_857.4500 0.004
fragment_322.2500 0.004
fragment_306.2500 0.003
fragment_71.0500 0.003
loss_199.6500 0.003
fragment_383.2500 0.003
fragment_481.1500 0.003
fragment_54.0500 0.003
fragment_424.1500 0.003
fragment_550.8500 0.003
fragment_481.8500 0.002
loss_65.0500 0.002
fragment_785.4500 0.002
fragment_885.4500 0.002
fragment_231.1500 0.002
loss_81.0500 0.002
fragment_340.1500 0.002
fragment_122.0500 0.002
fragment_228.0500 0.002
fragment_604.2500 0.002
loss_59.5500 0.002
fragment_303.1500 0.002
loss_55.8500 0.002
fragment_775.6500 0.002
fragment_407.1500 0.002
loss_19.3500 0.002
loss_154.1500 0.002
fragment_272.2500 0.002
fragment_305.4500 0.002
loss_115.7500 0.002
fragment_644.5500 0.002
fragment_81.0500 0.002
fragment_121.0500 0.002
fragment_96.0500 0.002
fragment_527.3500 0.002
loss_136.5500 0.002
fragment_807.9500 0.002
fragment_445.1500 0.001
fragment_69.0500 0.001
fragment_491.7500 0.001
loss_172.1500 0.001
fragment_179.0500 0.001
loss_85.3500 0.001
fragment_479.2500 0.001
loss_71.1500 0.001
fragment_612.3500 0.001
fragment_624.5500 0.001
loss_58.8500 0.001
fragment_305.1500 0.001
fragment_421.1500 0.001
fragment_482.2500 0.001
fragment_899.6500 0.001
loss_181.5500 0.001
loss_177.6500 0.001
loss_61.6500 0.001
fragment_257.9500 0.001
fragment_345.5500 0.001
fragment_486.2500 0.001
fragment_698.9500 0.001

Counts of Classyfire Substituent terms

Term name Count in motif Percentage in motif Percentage in experiment Absolute difference
Hydrocarbon derivative 34 100 100 0
Organooxygen compound 27 79.4 95.3 15.9
Carbonyl group 19 55.9 44.0 11.9
Alcohol 9 26.5 14.7 11.8
Organoheterocyclic compound 7 20.6 13.3 7.3
Oxacycle 6 17.6 7.9 9.7
Organic nitrogen compound 6 17.6 55.6 38.0
Organonitrogen compound 6 17.6 54.1 36.5
Organopnictogen compound 5 14.7 45.2 30.5
Aromatic heteropolycyclic compound 4 11.8 9.6 2.1
Azacycle 4 11.8 22.6 10.8
Heteroaromatic compound 3 8.8 5.8 3.1
Oxane 3 8.8 1.9 6.9
Secondary alcohol 3 8.8 7.7 1.1
Polyol 3 8.8 1.6 7.2
Benzenoid 2 5.9 18.3 12.5
Carboxamide group 2 5.9 5.5 0.4
Aliphatic acyclic compound 2 5.9 2.9 2.9
O-glycosyl compound 2 5.9 1.2 4.7
Acetal 2 5.9 1.5 4.4
Primary alcohol 2 5.9 0.9 5.0
Amine 1 2.9 4.4 1.4

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_4119 683.4330 683.4330 None 0.874 0.263
document_4114 683.4250 683.4250 None 0.755 0.301
document_3892 666.6040 666.6040 None 0.653 0.302
document_3885 666.5980 666.5980 None 0.556 0.287
document_5679 856.4970 856.4970 None 0.539 0.076
document_3868 663.8630 663.8630 None 0.533 0.053
document_4850 722.4910 722.4910 None 0.533 0.211
document_5780 924.4830 924.4830 None 0.508 0.083
document_2426 523.3230 523.3230 None 0.491 0.045
document_3709 643.5850 643.5850 None 0.487 0.237
document_5246 750.5280 750.5280 None 0.428 0.181
document_4848 722.4910 722.4910 None 0.377 0.106
document_4849 722.4910 722.4910 None 0.345 0.179
document_5247 750.5280 750.5280 None 0.329 0.148
document_5346 766.5290 766.5290 None 0.329 0.223
document_619 421.2320 421.2320 None 0.268 0.031
document_5338 766.5240 766.5240 None 0.250 0.227
document_152 405.6540 405.6540 None 0.143 0.138
document_5320 762.4700 762.4700 None 0.139 0.158
document_5339 766.4890 766.4890 None 0.129 0.116
document_5348 766.5290 766.5290 None 0.127 0.130
document_1031 433.2670 433.2670 None 0.113 0.041
document_472 419.2680 419.2680 None 0.113 0.033
document_4241 690.4020 690.4020 None 0.109 0.048
document_5330 763.5060 763.5060 None 0.097 0.132
document_5337 766.4940 766.4940 None 0.091 0.099
document_5340 766.4820 766.4820 None 0.091 0.081
document_1722 473.2840 473.2840 None 0.085 0.176
document_138 404.1330 404.1330 None 0.084 0.038
document_2575 537.4890 537.4890 None 0.077 0.036
document_1815 481.2590 481.2590 None 0.076 0.134
document_5526 805.3360 805.3360 None 0.074 0.130
document_1347 448.1750 448.1750 None 0.069 0.134
document_1612 466.2400 466.2400 None 0.055 0.137

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.