Mass2Motif: motif_286

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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 0.9439452059701389. 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_228.0500 0.089
fragment_411.2500 0.077
fragment_569.3500 0.076
fragment_228.1500 0.063
fragment_62.9500 0.041
loss_131.1500 0.032
fragment_570.3500 0.032
fragment_298.1500 0.031
fragment_357.2500 0.027
fragment_323.2500 0.023
fragment_439.2500 0.022
fragment_339.1500 0.021
loss_128.2500 0.019
loss_150.2500 0.017
fragment_457.2500 0.017
loss_197.0500 0.016
fragment_404.9500 0.016
fragment_271.0500 0.015
loss_105.0500 0.014
fragment_183.0500 0.014
fragment_402.9500 0.013
loss_130.0500 0.012
loss_156.0500 0.012
fragment_247.0500 0.010
loss_195.3500 0.009
fragment_234.1500 0.009
fragment_841.4500 0.008
loss_85.9500 0.008
fragment_355.2500 0.008
fragment_329.2500 0.008
fragment_461.2500 0.007
fragment_458.2500 0.007
fragment_307.1500 0.007
fragment_328.2500 0.007
fragment_412.2500 0.007
fragment_651.2500 0.007
fragment_437.2500 0.007
fragment_885.3500 0.006
fragment_229.0500 0.006
fragment_330.1500 0.006
fragment_684.2500 0.006
fragment_571.3500 0.005
loss_168.0500 0.005
fragment_186.0500 0.005
fragment_103.9500 0.005
loss_171.3500 0.005
fragment_683.9500 0.005
fragment_124.4500 0.004
fragment_496.2500 0.004
loss_134.8500 0.004
loss_193.3500 0.003
fragment_273.1500 0.003
fragment_348.1500 0.003
fragment_344.1500 0.003
loss_123.0500 0.003
loss_133.0500 0.003
fragment_542.3500 0.003
fragment_358.2500 0.003
fragment_552.3500 0.003
fragment_403.9500 0.002
fragment_384.6500 0.002
loss_66.7500 0.002
fragment_153.4500 0.002
fragment_340.1500 0.002
fragment_106.0500 0.002
fragment_187.0500 0.002
fragment_343.3500 0.002
loss_108.1500 0.002
fragment_287.8500 0.002
loss_154.5500 0.002
fragment_405.9500 0.002
fragment_181.3500 0.002
fragment_309.0500 0.002
fragment_574.7500 0.002
loss_129.4500 0.002
fragment_321.9500 0.002
loss_114.2500 0.002
fragment_358.1500 0.001
fragment_356.2500 0.001
loss_178.7500 0.001
fragment_572.3500 0.001
fragment_417.3500 0.001
fragment_440.2500 0.001
fragment_381.3500 0.001
loss_64.5500 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 34 100 95.3 4.7
Organonitrogen compound 20 58.8 54.1 4.7
Carbonyl group 19 55.9 44.0 11.9
Organic nitrogen compound 19 55.9 55.6 0.2
Organopnictogen compound 18 52.9 45.2 7.7
Azacycle 9 26.5 22.6 3.9
Benzenoid 9 26.5 18.3 8.1
Carboxamide group 7 20.6 5.5 15.1
Organoheterocyclic compound 5 14.7 13.3 1.4
Oxacycle 3 8.8 7.9 0.9
Aromatic heteropolycyclic compound 3 8.8 9.6 0.8
Alcohol 2 5.9 14.7 8.8
1-hydroxy-2-unsubstituted benzenoid 2 5.9 1.3 4.6
Carboxylic acid ester 1 2.9 1.8 1.1
Secondary alcohol 1 2.9 7.7 4.8
Heteroaromatic compound 1 2.9 5.8 2.8
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_4382 700.4090 700.4090 None 1.000 0.313
document_3920 669.4290 669.4290 None 0.886 0.163
document_3958 675.3900 675.3900 None 0.713 0.147
document_692 425.1890 425.1890 None 0.673 0.200
document_2319 512.2590 512.2590 None 0.673 0.102
document_1221 442.4490 442.4490 None 0.635 0.060
document_1382 451.4220 451.4220 None 0.570 0.096
document_4370 699.0890 699.0890 None 0.486 0.033
document_1849 484.2290 484.2290 None 0.485 0.095
document_3657 639.3720 639.3720 None 0.445 0.140
document_5870 1041.4860 1041.4860 None 0.433 0.051
document_2067 498.2440 498.2440 None 0.349 0.100
document_3189 596.1040 596.1040 None 0.337 0.040
document_3329 612.3980 612.3980 None 0.273 0.116
document_3900 667.4330 667.4330 None 0.224 0.109
document_2798 561.3020 561.3020 None 0.208 0.063
document_738 427.2040 427.2040 None 0.184 0.054
document_35 401.2050 401.2050 None 0.158 0.102
document_1635 467.3030 467.3030 None 0.157 0.086
document_4877 725.4000 725.4000 None 0.154 0.083
document_4590 710.4210 710.4210 None 0.099 0.108
document_789 429.1790 429.1790 None 0.076 0.063
document_4556 706.3940 706.3940 None 0.071 0.100
document_3084 587.3040 587.3040 None 0.068 0.088
document_2482 528.4530 528.4530 None 0.068 0.154
document_3181 595.3800 595.3800 None 0.064 0.045
document_4065 679.8490 679.8490 None 0.063 0.112
document_504 420.1530 420.1530 None 0.060 0.069
document_5244 749.4440 749.4440 None 0.059 0.076
document_1687 471.2790 471.2790 None 0.057 0.089
document_1340 447.2460 447.2460 None 0.053 0.031
document_1035 432.2780 432.2780 None 0.053 0.032
document_5378 770.8470 770.8470 None 0.051 0.089
document_2266 507.3000 507.3000 None 0.050 0.077

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.