Mass2Motif: motif_207

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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 0.9696047835500864. 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_209.0500 0.191
fragment_211.0500 0.082
fragment_496.7500 0.056
fragment_145.0500 0.045
fragment_94.0500 0.037
loss_142.5500 0.028
fragment_588.2500 0.024
fragment_686.1500 0.023
loss_150.1500 0.023
loss_82.0500 0.019
fragment_754.2500 0.019
loss_194.0500 0.018
fragment_164.9500 0.013
loss_81.0500 0.013
fragment_755.2500 0.012
fragment_600.1500 0.011
fragment_351.8500 0.011
loss_75.3500 0.011
fragment_555.2500 0.011
fragment_235.1500 0.010
fragment_459.0500 0.010
fragment_244.0500 0.009
fragment_192.0500 0.008
fragment_78.9500 0.008
loss_192.0500 0.008
fragment_589.2500 0.007
fragment_155.1500 0.007
fragment_174.0500 0.007
fragment_528.7500 0.006
loss_110.5500 0.006
fragment_412.2500 0.006
fragment_257.0500 0.006
fragment_328.6500 0.006
loss_98.5500 0.006
loss_169.5500 0.005
fragment_197.1500 0.005
fragment_70.0500 0.005
fragment_234.5500 0.004
loss_192.6500 0.004
fragment_454.0500 0.004
fragment_925.9500 0.004
fragment_172.0500 0.004
fragment_816.0500 0.004
loss_141.5500 0.004
fragment_497.7500 0.004
fragment_438.0500 0.004
fragment_499.0500 0.004
loss_159.0500 0.004
fragment_268.1500 0.004
fragment_412.7500 0.004
fragment_714.2500 0.004
loss_122.0500 0.004
loss_195.2500 0.004
fragment_795.6500 0.003
fragment_413.7500 0.003
loss_117.1500 0.003
fragment_719.1500 0.003
fragment_901.9500 0.003
fragment_510.2500 0.003
fragment_487.1500 0.003
loss_118.1500 0.003
fragment_394.8500 0.003
loss_186.9500 0.003
fragment_154.0500 0.003
fragment_508.1500 0.003
fragment_855.8500 0.003
fragment_224.0500 0.003
fragment_418.3500 0.003
loss_163.4500 0.003
fragment_718.1500 0.003
loss_182.3500 0.003
fragment_491.1500 0.003
fragment_69.0500 0.003
loss_148.1500 0.002
fragment_138.0500 0.002
fragment_508.8500 0.002
fragment_632.1500 0.002
fragment_451.2500 0.002
fragment_602.1500 0.002
loss_37.1500 0.002
fragment_242.1500 0.002
fragment_501.7500 0.002
loss_196.0500 0.002
loss_149.3500 0.002
fragment_370.2500 0.002
fragment_72.9500 0.002
fragment_399.2500 0.002
loss_182.5500 0.002
fragment_518.2500 0.002
loss_149.1500 0.002
fragment_687.1500 0.002
fragment_525.0500 0.002
loss_107.5500 0.002
fragment_113.1500 0.002
fragment_446.0500 0.002
loss_65.2500 0.002
fragment_666.0500 0.002
fragment_694.0500 0.002
loss_37.2500 0.002
fragment_749.7500 0.002
fragment_808.7500 0.001
fragment_324.6500 0.001
fragment_772.6500 0.001
fragment_590.2500 0.001
loss_94.6500 0.001
fragment_210.0500 0.001
fragment_503.8500 0.001
fragment_304.9500 0.001
fragment_399.1500 0.001
fragment_474.2500 0.001
fragment_216.1500 0.001
fragment_596.7500 0.001
loss_134.5500 0.001
fragment_582.9500 0.001
loss_148.3500 0.001
fragment_919.7500 0.001
fragment_862.9500 0.001
fragment_869.1500 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 14 50 55.6 5.6
Organonitrogen compound 14 50 54.1 4.1
Carbonyl group 13 46.4 44.0 2.4
Organopnictogen compound 13 46.4 45.2 1.2
Azacycle 9 32.1 22.6 9.5
Amine 2 7.1 4.4 2.8
Alcohol 2 7.1 14.7 7.5
Organoheterocyclic compound 2 7.1 13.3 6.2
Aromatic heteropolycyclic compound 2 7.1 9.6 2.5
Aliphatic acyclic compound 2 7.1 2.9 4.2
Benzenoid 2 7.1 18.3 11.2
Carboxamide group 1 3.6 5.5 1.9
Primary amine 1 3.6 0.5 3.1
Heteroaromatic compound 1 3.6 5.8 2.2
Oxacycle 1 3.6 7.9 4.3

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_5614 836.2960 836.2960 None 0.940 0.273
document_3653 639.3270 639.3270 None 0.813 0.177
document_737 427.1970 427.1970 None 0.782 0.346
document_4955 731.3390 731.3390 None 0.548 0.087
document_3024 581.8110 581.8110 None 0.523 0.096
document_173 406.3870 406.3870 None 0.408 0.167
document_1380 453.1130 453.1130 None 0.284 0.333
document_490 419.2760 419.2760 None 0.271 0.239
document_216 409.1840 409.1840 None 0.211 0.279
document_1599 464.3690 464.3690 None 0.196 0.088
document_2415 522.2560 522.2560 None 0.188 0.190
document_4870 724.3780 724.3780 None 0.182 0.079
document_1753 475.3790 475.3790 None 0.106 0.191
document_1750 475.3570 475.3570 None 0.091 0.196
document_1777 477.3050 477.3050 None 0.090 0.204
document_1754 475.3800 475.3800 None 0.085 0.194
document_1898 487.2380 487.2380 None 0.085 0.068
document_3091 588.3020 588.3020 None 0.077 0.202
document_199 408.2330 408.2330 None 0.076 0.085
document_1343 447.8060 447.8060 None 0.076 0.202
document_1376 451.1200 451.1200 None 0.069 0.082
document_4135 684.2020 684.2020 None 0.068 0.191
document_1437 456.2570 456.2570 None 0.063 0.087
document_3379 614.2690 614.2690 None 0.059 0.194
document_2406 521.3450 521.3450 None 0.059 0.191
document_342 413.2580 413.2580 None 0.059 0.045
document_271 413.2030 413.2030 None 0.056 0.087
document_2389 519.3140 519.3140 None 0.056 0.046

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.