Mass2Motif: motif_205

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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: Interesting motif - peptidic nature

Short Annotation: Interesting motif - peptidic nature

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 0.9276863725448814. 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_992.5500 0.097
loss_110.0500 0.087
fragment_353.0500 0.084
fragment_190.0500 0.070
fragment_993.5500 0.045
fragment_496.7500 0.034
fragment_571.2500 0.027
fragment_497.2500 0.021
fragment_612.3500 0.018
fragment_343.1500 0.018
fragment_286.1500 0.017
loss_107.0500 0.017
fragment_456.2500 0.016
fragment_319.9500 0.014
loss_109.0500 0.013
fragment_428.2500 0.013
fragment_354.0500 0.011
loss_169.5500 0.010
fragment_86.0500 0.010
fragment_321.9500 0.009
loss_112.0500 0.009
fragment_224.0500 0.009
fragment_639.3500 0.008
fragment_555.2500 0.008
fragment_152.0500 0.008
fragment_272.1500 0.008
fragment_186.0500 0.008
fragment_353.2500 0.007
loss_191.0500 0.007
loss_142.5500 0.006
fragment_526.2500 0.006
fragment_401.1500 0.006
fragment_994.5500 0.006
fragment_113.0500 0.005
fragment_543.2500 0.004
fragment_951.4500 0.004
fragment_553.2500 0.004
fragment_879.5500 0.004
loss_171.0500 0.004
loss_108.0500 0.004
fragment_143.1500 0.003
fragment_429.2500 0.003
fragment_836.4500 0.003
fragment_438.2500 0.003
loss_163.6500 0.003
fragment_762.2500 0.003
loss_19.6500 0.003
fragment_320.9500 0.003
fragment_134.4500 0.003
fragment_345.1500 0.003
fragment_145.0500 0.003
fragment_639.8500 0.003
fragment_168.0500 0.003
loss_78.8500 0.003
fragment_703.0500 0.003
fragment_354.1500 0.003
fragment_626.2500 0.003
fragment_560.7500 0.002
fragment_410.2500 0.002
loss_169.0500 0.002
fragment_130.5500 0.002
fragment_334.1500 0.002
fragment_304.1500 0.002
fragment_792.0500 0.002
fragment_470.1500 0.002
fragment_101.0500 0.002
fragment_458.1500 0.002
loss_98.1500 0.002
loss_170.5500 0.002
fragment_457.2500 0.002
fragment_393.2500 0.002
fragment_240.1500 0.002
fragment_241.1500 0.002
loss_142.0500 0.002
fragment_399.1500 0.002
fragment_553.3500 0.002
fragment_572.2500 0.002
fragment_524.1500 0.002
fragment_656.2500 0.002
loss_81.1500 0.002
fragment_709.1500 0.002
loss_72.7500 0.002
fragment_497.7500 0.002
loss_68.1500 0.001
fragment_71.0500 0.001
fragment_690.9500 0.001
loss_90.9500 0.001
fragment_643.2500 0.001
fragment_411.2500 0.001
fragment_840.7500 0.001
fragment_690.3500 0.001
loss_91.5500 0.001
fragment_430.1500 0.001
fragment_928.3500 0.001
fragment_669.2500 0.001
loss_112.6500 0.001
fragment_169.0500 0.001
fragment_153.0500 0.001
fragment_705.3500 0.001
loss_76.5500 0.001
fragment_553.8500 0.001
fragment_823.4500 0.001
fragment_429.7500 0.001
fragment_701.3500 0.001
loss_23.0500 0.001
fragment_498.2500 0.001
fragment_640.3500 0.001
fragment_909.6500 0.001
fragment_211.0500 0.001
fragment_344.1500 0.001
loss_128.0500 0.001
fragment_220.0500 0.001
fragment_273.1500 0.001
loss_190.0500 0.001
fragment_939.9500 0.001
fragment_724.8500 0.001
fragment_677.7500 0.001
loss_57.0500 0.001
loss_104.1500 0.001
fragment_701.7500 0.001
loss_22.5500 0.001
fragment_867.4500 0.001
fragment_326.1500 0.001
fragment_322.9500 0.001
loss_103.2500 0.001
fragment_621.1500 0.001
loss_126.0500 0.001
fragment_230.1500 0.001
fragment_722.9500 0.001
loss_58.8500 0.001
fragment_849.0500 0.001
fragment_150.0500 0.001
fragment_315.1500 0.001
fragment_640.9500 0.001
loss_140.9500 0.001
fragment_439.2500 0.001
fragment_418.2500 0.001
fragment_933.5500 0.001
fragment_596.2500 0.001
fragment_400.2500 0.001
loss_84.0500 0.001
fragment_148.0500 0.001

Counts of Classyfire Substituent terms

Term name Count in motif Percentage in motif Percentage in experiment Absolute difference
Hydrocarbon derivative 23 100 100 0
Organooxygen compound 23 100 95.3 4.7
Organic nitrogen compound 17 73.9 55.6 18.3
Organonitrogen compound 16 69.6 54.1 15.5
Azacycle 15 65.2 22.6 42.6
Carbonyl group 14 60.9 44.0 16.8
Organopnictogen compound 14 60.9 45.2 15.6
Organoheterocyclic compound 8 34.8 13.3 21.5
Benzenoid 7 30.4 18.3 12.1
Aromatic heteropolycyclic compound 6 26.1 9.6 16.4
Alcohol 4 17.4 14.7 2.7
Oxacycle 4 17.4 7.9 9.5
Carboxamide group 3 13.0 5.5 7.6
Heteroaromatic compound 3 13.0 5.8 7.3
Secondary alcohol 2 8.7 7.7 1.0
Polyol 1 4.3 1.6 2.8
Acetal 1 4.3 1.5 2.9
Carboxylic acid ester 1 4.3 1.8 2.5
Amine 1 4.3 4.4 0.0

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_2990 577.0540 577.0540 None 0.992 0.030
document_5445 781.8940 781.8940 None 0.977 0.310
document_5447 781.9010 781.9010 None 0.961 0.337
document_4867 724.3780 724.3780 None 0.957 0.392
document_4868 724.3840 724.3840 None 0.940 0.324
document_1548 463.1510 463.1510 None 0.935 0.322
document_5444 781.8940 781.8940 None 0.931 0.356
document_1515 460.1400 460.1400 None 0.924 0.211
document_4869 724.3820 724.3820 None 0.919 0.357
document_1550 463.1520 463.1520 None 0.909 0.314
document_1549 463.1500 463.1500 None 0.816 0.287
document_1503 459.2090 459.2090 None 0.138 0.103
document_248 412.2360 412.2360 None 0.134 0.071
document_1714 473.2300 473.2300 None 0.096 0.091
document_2771 557.3250 557.3250 None 0.089 0.086
document_199 408.2330 408.2330 None 0.082 0.074
document_5446 781.8930 781.8930 None 0.082 0.149
document_1504 459.2140 459.2140 None 0.077 0.113
document_294 413.2150 413.2150 MLS001060855-01! 0.065 0.165
document_161 405.2700 405.2700 None 0.062 0.102
document_4056 679.3160 679.3160 None 0.057 0.060
document_1303 443.3310 443.3310 None 0.053 0.090
document_373 413.3020 413.3020 None 0.051 0.070

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.