Mass2Motif: motif_19

Return to experiment crusemann

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 0.9799376408615972. 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_93.0500 0.210
fragment_69.0500 0.195
fragment_81.0500 0.152
fragment_83.0500 0.107
fragment_547.4500 0.066
fragment_67.0500 0.055
fragment_548.4500 0.034
fragment_54.9500 0.027
loss_140.3500 0.023
fragment_280.2500 0.018
fragment_95.0500 0.011
loss_141.5500 0.011
loss_139.5500 0.011
loss_136.3500 0.008
loss_141.3500 0.008
fragment_194.9500 0.004
fragment_543.3500 0.004
fragment_430.1500 0.004
loss_140.4500 0.004
fragment_434.0500 0.003
fragment_478.6500 0.003
fragment_52.3500 0.002
fragment_216.0500 0.002
loss_138.5500 0.002
fragment_288.9500 0.002
loss_142.3500 0.002
fragment_521.3500 0.002
fragment_237.1500 0.002
fragment_136.8500 0.001
fragment_427.1500 0.001
fragment_153.1500 0.001
fragment_550.5500 0.001
fragment_372.8500 0.001
loss_138.4500 0.001

Counts of Classyfire Substituent terms

Term name Count in motif Percentage in motif Percentage in experiment Absolute difference
Hydrocarbon derivative 120 100 100 0
Organooxygen compound 115 95.8 95.3 0.5
Carbonyl group 46 38.3 44.0 5.7
Organic nitrogen compound 33 27.5 55.6 28.1
Organonitrogen compound 32 26.7 54.1 27.4
Organopnictogen compound 22 18.3 45.2 26.9
Alcohol 16 13.3 14.7 1.3
Aliphatic acyclic compound 10 8.3 2.9 5.4
Secondary alcohol 5 4.2 7.7 3.5
Azacycle 3 2.5 22.6 20.1
Organoheterocyclic compound 2 1.7 13.3 11.7
Heteroaromatic compound 1 0.8 5.8 4.9

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_4731 716.4160 716.4160 None 0.640 0.572
document_4163 688.9450 688.9450 None 0.631 0.471
document_4165 688.7960 688.7960 None 0.628 0.727
document_4153 688.3830 688.3830 None 0.579 0.666
document_4190 688.9900 688.9900 None 0.514 0.584
document_4185 688.4920 688.4920 None 0.501 0.579
document_4142 685.7460 685.7460 None 0.451 0.436
document_5115 740.4100 740.4100 None 0.444 0.371
document_4730 716.4740 716.4740 None 0.429 0.568
document_4128 685.7380 685.7380 None 0.399 0.491
document_5131 740.4680 740.4680 None 0.385 0.507
document_4139 684.3880 684.3880 None 0.379 0.557
document_4092 685.8220 685.8220 None 0.352 0.501
document_4175 689.7530 689.7530 None 0.351 0.537
document_1397 452.4240 452.4240 None 0.321 0.556
document_4326 692.5210 692.5210 None 0.311 0.519
document_5082 738.3950 738.3950 None 0.291 0.664
document_4991 734.3870 734.3870 None 0.280 0.544
document_5123 740.4100 740.4100 None 0.280 0.226
document_4518 704.4150 704.4150 None 0.268 0.523
document_5073 738.3950 738.3950 None 0.267 0.355
document_4599 710.4140 710.4140 None 0.248 0.484
document_4186 689.8020 689.8020 None 0.237 0.165
document_4181 689.6100 689.6100 None 0.215 0.504
document_4591 710.4430 710.4430 None 0.214 0.554
document_4711 716.4770 716.4770 None 0.211 0.384
document_4593 710.5440 710.5440 None 0.209 0.565
document_4180 689.0870 689.0870 None 0.208 0.480
document_4926 730.4440 730.4440 None 0.189 0.545
document_5116 740.4100 740.4100 None 0.188 0.662
document_4240 690.4010 690.4010 None 0.178 0.469
document_4597 712.1910 712.1910 None 0.174 0.455
document_4257 690.4330 690.4330 None 0.173 0.675
document_2204 504.2670 504.2670 None 0.172 0.210
document_4672 716.4150 716.4150 None 0.172 0.676
document_2570 537.4880 537.4880 None 0.172 0.358
document_4189 689.4490 689.4490 None 0.171 0.458
document_4600 710.4110 710.4110 None 0.171 0.504
document_5193 744.4430 744.4430 None 0.169 0.522
document_4777 718.4300 718.4300 None 0.169 0.464
document_4732 716.4680 716.4680 None 0.167 0.377
document_5127 740.4310 740.4310 None 0.167 0.510
document_4628 712.4880 712.4880 None 0.156 0.507
document_4590 710.4210 710.4210 None 0.153 0.503
document_4747 716.5220 716.5220 None 0.147 0.483
document_5188 744.4430 744.4430 None 0.144 0.416
document_5060 738.3950 738.3950 None 0.142 0.354
document_4224 690.4010 690.4010 None 0.141 0.468
document_4886 726.5030 726.5030 None 0.138 0.404
document_4592 710.4650 710.4650 None 0.132 0.566
document_450 419.0340 419.0340 None 0.132 0.210
document_4722 716.4150 716.4150 None 0.131 0.562
document_4679 716.4150 716.4150 None 0.131 0.459
document_3805 656.2580 656.2580 Rifamycin W 0.127 0.303
document_4684 716.4140 716.4140 None 0.125 0.623
document_4168 689.8060 689.8060 None 0.125 0.358
document_4696 716.4150 716.4150 None 0.122 0.665
document_1362 449.3240 449.3240 None 0.120 0.357
document_5049 738.4150 738.4150 None 0.119 0.266
document_5068 738.4120 738.4120 None 0.119 0.270
document_4674 716.4150 716.4150 None 0.117 0.470
document_4162 688.4700 688.4700 None 0.116 0.466
document_4598 710.4380 710.4380 None 0.115 0.513
document_4602 710.4560 710.4560 None 0.115 0.517
document_4882 726.5540 726.5540 None 0.114 0.520
document_4258 690.4350 690.4350 None 0.111 0.464
document_4997 734.4320 734.4320 None 0.111 0.221
document_5111 740.4100 740.4100 None 0.108 0.623
document_5015 734.4700 734.4700 None 0.105 0.416
document_4066 680.2680 680.2680 None 0.105 0.210
document_5081 739.5610 739.5610 None 0.104 0.413
document_4183 690.1000 690.1000 None 0.104 0.559
document_5207 744.4430 744.4430 None 0.101 0.327
document_4220 690.4010 690.4010 None 0.100 0.453
document_4606 710.4740 710.4740 None 0.100 0.240
document_4604 712.3530 712.3530 None 0.100 0.539
document_3438 622.2170 622.2170 None 0.099 0.463
document_4595 710.4200 710.4200 None 0.097 0.285
document_2240 506.5860 506.5860 None 0.096 0.270
document_5086 738.4330 738.4330 None 0.096 0.210
document_5040 738.3680 738.3680 None 0.095 0.482
document_5174 744.4380 744.4380 None 0.095 0.568
document_5054 738.4300 738.4300 None 0.094 0.313
document_5097 739.4220 739.4220 None 0.091 0.082
document_232 411.1490 411.1490 None 0.091 0.479
document_4735 716.4160 716.4160 None 0.091 0.399
document_4601 710.4350 710.4350 None 0.090 0.276
document_4207 690.4010 690.4010 None 0.089 0.477
document_89 401.2860 401.2860 Massbank:FFF00098 24-Ethylcoprostanol 0.088 0.568
document_5061 738.3950 738.3950 None 0.088 0.316
document_4585 712.0540 712.0540 None 0.087 0.348
document_5134 740.4760 740.4760 None 0.087 0.373
document_5246 750.5280 750.5280 None 0.086 0.453
document_2393 520.2400 520.2400 None 0.084 0.210
document_221 409.3820 409.3820 None 0.082 0.344
document_871 430.3880 430.3880 None 0.082 0.404
document_3546 634.4520 634.4520 None 0.081 0.405
document_4617 712.4290 712.4290 None 0.081 0.378
document_4605 712.4060 712.4060 None 0.081 0.412
document_438 418.7540 418.7540 None 0.080 0.361
document_109 402.3530 402.3530 None 0.079 0.301
document_1395 452.4250 452.4250 None 0.078 0.299
document_4210 690.4010 690.4010 None 0.071 0.289
document_4280 690.5070 690.5070 None 0.070 0.519
document_3964 676.2690 676.2690 None 0.069 0.428
document_4603 712.3600 712.3600 None 0.069 0.377
document_2520 532.3840 532.3840 None 0.066 0.209
document_4589 711.5790 711.5790 None 0.065 0.469
document_5037 738.5770 738.5770 None 0.064 0.415
document_4968 733.7800 733.7800 None 0.064 0.551
document_5250 752.4320 752.4320 None 0.062 0.492
document_2201 503.8670 503.8670 None 0.060 0.311
document_5048 738.3950 738.3950 None 0.060 0.458
document_4594 712.3760 712.3760 None 0.059 0.484
document_5038 738.3850 738.3850 None 0.057 0.413
document_1040 433.2140 433.2140 None 0.056 0.222
document_837 429.3010 429.3010 None 0.056 0.221
document_4760 718.4590 718.4590 None 0.055 0.356
document_5172 744.2910 744.2910 None 0.053 0.345
document_5152 740.5140 740.5140 None 0.052 0.404

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.