Mass2Motif: motif_283

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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: Peptidic motif?

Short Annotation: Peptidic motif?

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 0.9683466559537863. 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_200.9500 0.219
fragment_265.9500 0.198
fragment_129.9500 0.064
fragment_197.9500 0.056
fragment_336.9500 0.049
fragment_803.5500 0.040
fragment_270.9500 0.032
fragment_420.8500 0.024
loss_139.4500 0.022
fragment_804.0500 0.022
fragment_488.8500 0.021
fragment_64.9500 0.015
fragment_226.8500 0.014
fragment_291.1500 0.013
fragment_542.9500 0.012
fragment_406.9500 0.010
fragment_90.9500 0.008
fragment_56.8500 0.008
fragment_268.9500 0.006
fragment_689.4500 0.006
loss_183.6500 0.006
fragment_353.8500 0.006
fragment_676.4500 0.006
fragment_333.1500 0.006
fragment_311.7500 0.005
fragment_103.6500 0.005
fragment_282.9500 0.005
fragment_440.9500 0.005
fragment_215.2500 0.005
fragment_307.5500 0.005
fragment_158.9500 0.004
fragment_630.9500 0.004
loss_164.0500 0.004
fragment_712.4500 0.004
fragment_418.8500 0.004
fragment_86.1500 0.003
fragment_691.4500 0.003
fragment_641.7500 0.003
fragment_375.2500 0.003
fragment_219.9500 0.003
fragment_252.1500 0.003
fragment_404.9500 0.003
fragment_212.0500 0.003
fragment_352.8500 0.003
fragment_325.2500 0.002
loss_135.1500 0.002
fragment_266.9500 0.002
fragment_266.1500 0.002
fragment_198.9500 0.002
fragment_694.9500 0.002
fragment_236.9500 0.002
loss_133.6500 0.002
fragment_296.9500 0.002
fragment_307.1500 0.002
loss_147.5500 0.002
fragment_159.9500 0.002
fragment_654.6500 0.002
fragment_174.9500 0.001
fragment_335.0500 0.001
fragment_101.0500 0.001

Counts of Classyfire Substituent terms

Term name Count in motif Percentage in motif Percentage in experiment Absolute difference
Hydrocarbon derivative 28 100 100 0
Organooxygen compound 28 100 95.3 4.7
Organic nitrogen compound 18 64.3 55.6 8.7
Organonitrogen compound 18 64.3 54.1 10.2
Organopnictogen compound 14 50 45.2 4.8
Carbonyl group 12 42.9 44.0 1.2
Azacycle 7 25 22.6 2.4
Benzenoid 7 25 18.3 6.7
Aromatic heteropolycyclic compound 2 7.1 9.6 2.5
Alcohol 2 7.1 14.7 7.5
Organoheterocyclic compound 1 3.6 13.3 9.8
Carboxylic acid ester 1 3.6 1.8 1.8
Oxacycle 1 3.6 7.9 4.3
Secondary alcohol 1 3.6 7.7 4.1
Heteroaromatic compound 1 3.6 5.8 2.2

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_2586 540.3570 540.3570 None 0.915 0.334
document_2587 540.3570 540.3570 None 0.818 0.332
document_5178 743.4350 743.4350 None 0.751 0.306
document_3276 605.4550 605.4550 None 0.695 0.600
document_3277 605.4240 605.4240 None 0.680 0.565
document_2552 535.4410 535.4410 None 0.663 0.385
document_5287 757.4700 757.4700 None 0.641 0.165
document_2565 537.4740 537.4740 None 0.637 0.558
document_1728 473.3440 473.3440 None 0.372 0.282
document_900 430.6050 430.6050 None 0.315 0.052
document_1627 466.5340 466.5340 None 0.217 0.133
document_1644 468.2940 468.2940 None 0.216 0.265
document_2557 536.1640 536.1640 None 0.206 0.269
document_2547 535.3080 535.3080 None 0.156 0.275
document_2473 527.3170 527.3170 None 0.121 0.272
document_3279 606.3950 606.3950 None 0.118 0.466
document_3302 609.3020 609.3020 None 0.116 0.047
document_3306 610.0140 610.0140 None 0.115 0.221
document_2571 537.4870 537.4870 None 0.105 0.417
document_3303 609.3020 609.3020 None 0.099 0.219
document_2597 541.1950 541.1950 None 0.082 0.234
document_3435 622.0290 622.0290 None 0.079 0.198
document_5641 838.8400 838.8400 MS_Contaminant_Sodium_Formate_Cluster 0.077 0.044
document_73 401.2700 401.2700 None 0.073 0.124
document_3280 606.3950 606.3950 None 0.063 0.418
document_723 427.0730 427.0730 None 0.061 0.223
document_3963 675.6740 675.6740 None 0.054 0.268
document_5531 807.4210 807.4210 None 0.052 0.197

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.