Mass2Motif: motif_292

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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 0.9584376681043273. 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_340.3500 0.145
fragment_519.2500 0.107
fragment_512.2500 0.045
loss_118.1500 0.032
loss_106.0500 0.031
loss_39.3500 0.026
fragment_594.2500 0.026
loss_141.3500 0.026
fragment_196.1500 0.026
fragment_341.3500 0.026
fragment_580.5500 0.023
fragment_551.2500 0.020
fragment_116.1500 0.020
fragment_249.1500 0.013
fragment_234.0500 0.013
fragment_382.1500 0.011
loss_39.7500 0.011
fragment_513.2500 0.011
loss_117.1500 0.010
loss_73.0500 0.010
fragment_595.2500 0.010
fragment_209.0500 0.010
fragment_602.7500 0.009
loss_109.6500 0.009
loss_105.0500 0.009
loss_121.7500 0.009
loss_199.1500 0.009
fragment_295.0500 0.008
fragment_520.2500 0.008
fragment_568.2500 0.008
loss_144.0500 0.008
fragment_432.0500 0.007
fragment_250.0500 0.007
loss_40.0500 0.006
fragment_884.5500 0.006
fragment_888.0500 0.006
fragment_288.9500 0.006
fragment_217.0500 0.006
fragment_57.0500 0.006
loss_21.0500 0.006
fragment_826.9500 0.004
fragment_326.1500 0.004
fragment_911.4500 0.004
fragment_366.0500 0.004
fragment_260.0500 0.004
fragment_529.4500 0.003
loss_164.1500 0.003
fragment_214.7500 0.003
fragment_558.8500 0.003
loss_170.7500 0.003
fragment_104.5500 0.003
fragment_966.9500 0.003
fragment_856.8500 0.003
fragment_224.1500 0.003
fragment_859.7500 0.003
fragment_947.8500 0.003
fragment_933.7500 0.003
loss_106.1500 0.003
fragment_623.3500 0.003
fragment_951.4500 0.002
fragment_486.4500 0.002
fragment_496.2500 0.002
fragment_124.1500 0.002
fragment_531.4500 0.002
loss_172.5500 0.002
fragment_296.3500 0.002
fragment_473.2500 0.002
fragment_87.0500 0.002
fragment_808.1500 0.002
fragment_386.3500 0.002
fragment_582.8500 0.002
loss_146.7500 0.002
fragment_510.2500 0.002
fragment_857.5500 0.002
fragment_797.1500 0.002
fragment_386.2500 0.002
loss_167.5500 0.002
loss_73.7500 0.002
fragment_655.8500 0.002
fragment_240.8500 0.002
fragment_599.1500 0.002
loss_46.7500 0.002
fragment_242.1500 0.002
fragment_794.5500 0.002
fragment_412.9500 0.002
fragment_613.8500 0.002
loss_115.7500 0.002
loss_120.3500 0.002
fragment_520.1500 0.002
loss_154.3500 0.002
fragment_491.5500 0.002
fragment_770.7500 0.002
fragment_500.2500 0.002
fragment_102.0500 0.002
fragment_526.2500 0.002
fragment_378.3500 0.002
loss_144.5500 0.002
fragment_501.2500 0.002
fragment_981.8500 0.002
loss_161.5500 0.002
loss_20.0500 0.002
fragment_61.0500 0.002
fragment_342.3500 0.002
loss_145.6500 0.002
fragment_709.4500 0.002
fragment_344.9500 0.002
fragment_791.4500 0.001
fragment_403.1500 0.001
fragment_866.4500 0.001
fragment_510.9500 0.001
fragment_480.5500 0.001
fragment_973.7500 0.001
fragment_555.2500 0.001
loss_90.5500 0.001
fragment_233.0500 0.001
fragment_274.1500 0.001
loss_35.1500 0.001
fragment_610.7500 0.001
fragment_356.1500 0.001
fragment_521.2500 0.001
fragment_636.2500 0.001
fragment_315.6500 0.001
fragment_107.9500 0.001
fragment_428.4500 0.001
fragment_431.2500 0.001

Counts of Classyfire Substituent terms

Term name Count in motif Percentage in motif Percentage in experiment Absolute difference
Hydrocarbon derivative 22 100 100 0
Organooxygen compound 21 95.5 95.3 0.1
Organic nitrogen compound 19 86.4 55.6 30.7
Organonitrogen compound 17 77.3 54.1 23.2
Carbonyl group 16 72.7 44.0 28.7
Organopnictogen compound 15 68.2 45.2 22.9
Azacycle 8 36.4 22.6 13.7
Alcohol 4 18.2 14.7 3.5
Aliphatic acyclic compound 3 13.6 2.9 10.7
Amine 3 13.6 4.4 9.3
Secondary alcohol 2 9.1 7.7 1.4
Carboxylic acid ester 1 4.5 1.8 2.7
Organoheterocyclic compound 1 4.5 13.3 8.8
Oxacycle 1 4.5 7.9 3.4
Carboxamide group 1 4.5 5.5 0.9

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_4616 712.3810 712.3810 None 1.000 0.225
document_5918 1224.2741 1224.2741 None 0.955 0.108
document_1335 446.4210 446.4210 None 0.921 0.224
document_5930 1511.6200 1511.6200 None 0.877 0.108
document_2588 540.4220 540.4220 None 0.582 0.180
document_3019 581.2870 581.2870 None 0.529 0.141
document_1958 490.4480 490.4480 None 0.528 0.167
document_3018 581.2870 581.2870 None 0.431 0.158
document_125 402.3940 402.3940 None 0.423 0.178
document_4925 729.5540 729.5540 None 0.395 0.115
document_3738 645.8780 645.8780 None 0.381 0.043
document_4841 721.8480 721.8480 None 0.292 0.057
document_2543 534.4760 534.4760 None 0.247 0.185
document_5858 1007.4430 1007.4430 None 0.200 0.056
document_1328 446.1870 446.1870 None 0.186 0.023
document_1890 486.2840 486.2840 None 0.124 0.026
document_3655 639.3280 639.3280 None 0.090 0.120
document_5548 813.4320 813.4320 None 0.080 0.055
document_1316 444.4070 444.4070 None 0.063 0.199
document_3605 637.3890 637.3890 None 0.063 0.159
document_2922 569.9730 569.9730 None 0.053 0.026
document_3004 578.5030 578.5030 None 0.051 0.212

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.