Mass2Motif: motif_200

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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 0.9536731989389239. 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_112.0500 0.247
loss_86.0500 0.134
fragment_597.2500 0.075
fragment_748.4500 0.041
fragment_331.1500 0.033
fragment_641.2500 0.030
fragment_141.0500 0.028
fragment_749.4500 0.026
loss_67.8500 0.025
loss_66.8500 0.018
loss_128.0500 0.018
fragment_200.0500 0.018
fragment_873.4500 0.015
fragment_789.4500 0.015
fragment_248.0500 0.015
fragment_772.4500 0.009
loss_50.5500 0.008
fragment_273.1500 0.008
fragment_65.8500 0.008
fragment_950.9500 0.008
fragment_741.3500 0.006
fragment_243.1500 0.006
loss_25.2500 0.006
fragment_976.2500 0.006
loss_135.6500 0.005
fragment_780.5500 0.005
fragment_379.4500 0.005
fragment_53.0500 0.005
fragment_865.8500 0.005
fragment_125.9500 0.005
loss_127.0500 0.004
loss_79.6500 0.004
fragment_921.8500 0.004
loss_65.8500 0.004
fragment_103.0500 0.004
fragment_816.4500 0.004
fragment_874.4500 0.004
fragment_270.0500 0.004
fragment_496.2500 0.004
fragment_681.3500 0.003
fragment_750.4500 0.003
fragment_330.1500 0.003
fragment_558.7500 0.003
loss_124.5500 0.003
fragment_464.1500 0.003
fragment_244.1500 0.003
loss_58.5500 0.003
fragment_942.9500 0.003
fragment_817.4500 0.003
fragment_230.0500 0.003
loss_197.0500 0.003
fragment_941.4500 0.003
fragment_884.0500 0.003
loss_117.4500 0.003
loss_131.9500 0.003
fragment_227.0500 0.002
loss_193.6500 0.002
fragment_489.7500 0.002
fragment_436.2500 0.002
fragment_142.9500 0.002
fragment_303.0500 0.002
fragment_214.0500 0.002
fragment_557.2500 0.002
fragment_547.2500 0.002
fragment_331.0500 0.002
fragment_695.3500 0.002
fragment_67.0500 0.001
fragment_244.0500 0.001
fragment_261.0500 0.001
fragment_111.1500 0.001
fragment_463.1500 0.001
fragment_391.2500 0.001
fragment_124.8500 0.001
fragment_400.9500 0.001
fragment_679.3500 0.001
fragment_462.9500 0.001
fragment_794.2500 0.001
loss_22.0500 0.001
loss_135.0500 0.001
fragment_375.1500 0.001

Counts of Classyfire Substituent terms

Term name Count in motif Percentage in motif Percentage in experiment Absolute difference
Hydrocarbon derivative 37 100 100 0
Organooxygen compound 35 94.6 95.3 0.7
Organic nitrogen compound 25 67.6 55.6 11.9
Organonitrogen compound 23 62.2 54.1 8.0
Organopnictogen compound 20 54.1 45.2 8.8
Azacycle 14 37.8 22.6 15.2
Carbonyl group 10 27.0 44.0 17.0
Benzenoid 7 18.9 18.3 0.6
Organoheterocyclic compound 6 16.2 13.3 2.9
Heteroaromatic compound 5 13.5 5.8 7.8
Amine 4 10.8 4.4 6.4
Oxacycle 3 8.1 7.9 0.2
Alcohol 2 5.4 14.7 9.2
Secondary alcohol 2 5.4 7.7 2.3
Aromatic heteropolycyclic compound 2 5.4 9.6 4.2

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_5857 1001.4990 1001.4990 None 0.978 0.131
document_5558 816.3210 816.3210 None 0.965 0.124
document_4894 727.3870 727.3870 None 0.747 0.447
document_5554 816.3570 816.3570 None 0.648 0.120
document_5531 807.4210 807.4210 None 0.587 0.048
document_4096 683.3760 683.3760 None 0.553 0.258
document_5723 884.4550 884.4550 None 0.545 0.077
document_2348 514.1270 514.1270 None 0.534 0.025
document_4895 727.3940 727.3940 None 0.492 0.375
document_4102 683.4170 683.4170 None 0.485 0.404
document_4103 683.3910 683.3910 None 0.409 0.153
document_4101 683.3950 683.3950 None 0.374 0.251
document_4100 683.4160 683.4160 None 0.354 0.360
document_3188 595.3820 595.3820 None 0.229 0.276
document_694 425.1930 425.1930 None 0.224 0.251
document_3185 595.3810 595.3810 None 0.220 0.279
document_3725 645.3580 645.3580 None 0.196 0.135
document_4915 727.4600 727.4600 None 0.194 0.251
document_3153 595.3630 595.3630 None 0.180 0.424
document_3640 639.3360 639.3360 None 0.163 0.247
document_3674 639.4080 639.4080 None 0.163 0.255
document_3677 639.4080 639.4080 None 0.149 0.253
document_4121 683.4340 683.4340 None 0.143 0.271
document_44 401.7300 401.7300 None 0.138 0.247
document_5279 757.3230 757.3230 None 0.123 0.247
document_3159 595.3460 595.3460 None 0.103 0.247
document_3639 639.3470 639.3470 None 0.100 0.135
document_2442 525.3020 525.3020 None 0.093 0.134
document_442 418.9680 418.9680 None 0.088 0.247
document_1793 479.2050 479.2050 None 0.082 0.133
document_498 419.2780 419.2780 None 0.081 0.247
document_41 401.4800 401.4800 None 0.080 0.247
document_738 427.2040 427.2040 None 0.066 0.134
document_475 419.2750 419.2750 None 0.066 0.247
document_3236 601.2920 601.2920 None 0.061 0.152
document_5862 1020.4960 1020.4960 None 0.060 0.134
document_862 430.1760 430.1760 None 0.056 0.133

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.