Mass2Motif: motif_198

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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 0.9524469390262177. 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_100.1500 0.371
fragment_313.1500 0.167
fragment_312.1500 0.144
fragment_169.0500 0.031
fragment_412.2500 0.024
fragment_101.1500 0.020
fragment_281.1500 0.016
fragment_113.0500 0.016
loss_171.0500 0.014
loss_157.0500 0.013
fragment_269.1500 0.011
loss_128.0500 0.009
fragment_365.2500 0.008
loss_88.0500 0.007
fragment_525.3500 0.007
loss_75.0500 0.007
fragment_384.2500 0.006
fragment_220.9500 0.005
loss_114.1500 0.005
loss_160.0500 0.005
fragment_270.1500 0.005
fragment_511.3500 0.005
loss_60.2500 0.004
loss_165.1500 0.004
fragment_208.1500 0.003
fragment_172.0500 0.003
fragment_341.2500 0.003
loss_189.2500 0.003
fragment_254.1500 0.003
fragment_74.1500 0.003
loss_103.0500 0.003
loss_156.0500 0.002
fragment_64.2500 0.002
loss_59.0500 0.002
fragment_424.1500 0.002
fragment_109.9500 0.002
loss_188.7500 0.002
fragment_174.1500 0.002
fragment_55.0500 0.001
fragment_331.2500 0.001
loss_116.0500 0.001
fragment_148.0500 0.001
loss_108.0500 0.001
loss_179.1500 0.001
loss_159.9500 0.001
fragment_471.1500 0.001
fragment_340.2500 0.001
fragment_480.3500 0.001

Counts of Classyfire Substituent terms

Term name Count in motif Percentage in motif Percentage in experiment Absolute difference
Hydrocarbon derivative 73 100 100 0
Organooxygen compound 70 95.9 95.3 0.6
Organonitrogen compound 46 63.0 54.1 8.9
Organic nitrogen compound 46 63.0 55.6 7.4
Carbonyl group 33 45.2 44.0 1.2
Organopnictogen compound 31 42.5 45.2 2.8
Azacycle 16 21.9 22.6 0.7
Benzenoid 8 11.0 18.3 7.4
Organoheterocyclic compound 8 11.0 13.3 2.4
Alcohol 7 9.6 14.7 5.1
Aromatic heteropolycyclic compound 7 9.6 9.6 0.1
Oxacycle 5 6.8 7.9 1.1
Heteroaromatic compound 3 4.1 5.8 1.6
Carboxamide group 3 4.1 5.5 1.4
Amine 3 4.1 4.4 0.3
Secondary alcohol 2 2.7 7.7 5.0

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_3768 650.3900 650.3900 None 0.965 0.393
document_690 425.4380 425.4380 None 0.842 0.421
document_704 425.8140 425.8140 None 0.789 0.411
document_2691 551.0860 551.0860 None 0.758 0.313
document_2187 502.3360 502.3360 None 0.756 0.393
document_705 425.2280 425.2280 None 0.733 0.392
document_718 426.3190 426.3190 MLS000830274-01!Ethmozine 0.697 0.391
document_701 425.2270 425.2270 None 0.691 0.419
document_250 412.2610 412.2610 None 0.682 0.392
document_717 426.3190 426.3190 None 0.680 0.395
document_1842 483.2040 483.2040 None 0.660 0.363
document_1667 469.1940 469.1940 None 0.595 0.714
document_3382 614.3880 614.3880 None 0.553 0.051
document_700 425.2270 425.2270 None 0.536 0.420
document_3929 671.4140 671.4140 None 0.528 0.212
document_1196 441.1920 441.1920 None 0.520 0.720
document_702 425.9320 425.9320 None 0.515 0.375
document_249 412.4860 412.4860 None 0.510 0.372
document_1195 441.1930 441.1930 None 0.508 0.367
document_1197 441.1950 441.1950 None 0.503 0.352
document_719 426.3190 426.3190 None 0.467 0.375
document_1734 473.5190 473.5190 None 0.371 0.379
document_219 409.2550 409.2550 None 0.300 0.081
document_238 411.2710 411.2710 None 0.296 0.056
document_217 409.1940 409.1940 None 0.284 0.086
document_3901 667.4760 667.4760 None 0.282 0.374
document_2364 516.3000 516.3000 None 0.241 0.371
document_2800 561.3640 561.3640 None 0.240 0.372
document_1352 449.2410 449.2410 None 0.224 0.316
document_2790 560.8770 560.8770 None 0.216 0.391
document_4861 722.8320 722.8320 None 0.192 0.544
document_101 402.2770 402.2770 None 0.168 0.371
document_5538 809.5480 809.5480 None 0.168 0.391
document_5715 880.5880 880.5880 None 0.165 0.391
document_2076 498.4060 498.4060 None 0.162 0.371
document_106 402.7470 402.7470 None 0.162 0.371
document_2582 540.3410 540.3410 None 0.156 0.311
document_1156 439.1760 439.1760 None 0.156 0.159
document_4920 727.8360 727.8360 None 0.153 0.537
document_3346 613.2470 613.2470 None 0.151 0.371
document_4919 727.8360 727.8360 None 0.147 0.537
document_1278 443.2760 443.2760 None 0.145 0.316
document_1311 443.3470 443.3470 None 0.140 0.371
document_1151 439.1040 439.1040 None 0.115 0.322
document_3266 604.8600 604.8600 None 0.114 0.311
document_754 428.4450 428.4450 None 0.112 0.371
document_4610 712.0180 712.0180 None 0.107 0.537
document_698 425.2210 425.2210 None 0.102 0.390
document_4533 704.8330 704.8330 None 0.098 0.537
document_20 400.4140 400.4140 None 0.096 0.387
document_3137 592.2670 592.2670 None 0.095 0.176
document_22 400.4140 400.4140 None 0.094 0.371
document_4210 690.4010 690.4010 None 0.088 0.167
document_102 402.2810 402.2810 None 0.085 0.371
document_3356 613.2480 613.2480 None 0.084 0.376
document_3344 613.2480 613.2480 None 0.084 0.388
document_3348 613.2480 613.2480 None 0.078 0.371
document_3401 617.3460 617.3460 None 0.077 0.179
document_4764 718.4290 718.4290 None 0.075 0.168
document_1601 464.3860 464.3860 None 0.074 0.381
document_2936 570.7160 570.7160 None 0.071 0.198
document_4254 690.4020 690.4020 None 0.064 0.184
document_1665 469.1820 469.1820 None 0.063 0.371
document_1996 495.2120 495.2120 None 0.062 0.167
document_2893 566.8970 566.8970 None 0.062 0.371
document_3762 649.5080 649.5080 None 0.059 0.144
document_5928 1431.5950 1431.5950 None 0.057 0.371
document_771 429.1790 429.1790 None 0.055 0.144
document_5013 734.3870 734.3870 None 0.055 0.168
document_5670 848.6400 848.6400 None 0.055 0.167
document_1982 493.2780 493.2780 None 0.055 0.206
document_3642 639.3540 639.3540 None 0.054 0.167
document_4499 704.3310 704.3310 None 0.053 0.170

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.