Mass2Motif: motif_91

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: Peptidic motif - S. arenicola related

Short Annotation: Peptidic motif - S. arenicola related

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 0.9803429044429395. 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_111.0500 0.268
fragment_199.0500 0.121
fragment_142.0500 0.072
fragment_215.0500 0.070
fragment_287.1500 0.067
fragment_98.0500 0.054
fragment_112.0500 0.045
fragment_331.1500 0.040
fragment_52.9500 0.036
loss_126.1500 0.027
fragment_156.0500 0.023
fragment_243.1500 0.021
fragment_375.1500 0.019
fragment_303.1500 0.015
fragment_171.0500 0.014
fragment_347.1500 0.014
loss_125.1500 0.011
loss_85.1500 0.009
fragment_170.0500 0.007
fragment_259.1500 0.007
fragment_186.0500 0.007
fragment_141.0500 0.004
fragment_200.1500 0.004
fragment_419.2500 0.003
fragment_376.1500 0.003
fragment_96.9500 0.002
fragment_425.1500 0.002
fragment_510.2500 0.002
fragment_96.0500 0.002
fragment_220.9500 0.002
loss_99.1500 0.002
fragment_452.1500 0.001
fragment_419.1500 0.001
fragment_238.4500 0.001
fragment_227.1500 0.001
fragment_510.1500 0.001
fragment_184.1500 0.001

Counts of Classyfire Substituent terms

Term name Count in motif Percentage in motif Percentage in experiment Absolute difference
Hydrocarbon derivative 132 100 100 0
Organooxygen compound 128 97.0 95.3 1.6
Organic nitrogen compound 46 34.8 55.6 20.8
Organonitrogen compound 45 34.1 54.1 20.0
Carbonyl group 43 32.6 44.0 11.5
Heteroaromatic compound 29 22.0 5.8 16.2
Organopnictogen compound 28 21.2 45.2 24.0
Organoheterocyclic compound 27 20.5 13.3 7.1
Oxacycle 24 18.2 7.9 10.3
Aromatic heteropolycyclic compound 17 12.9 9.6 3.2
Benzenoid 17 12.9 18.3 5.5
Azacycle 16 12.1 22.6 10.5
Alcohol 16 12.1 14.7 2.5
Secondary alcohol 7 5.3 7.7 2.4
1-hydroxy-4-unsubstituted benzenoid 4 3.0 0.2 2.8
1-hydroxy-2-unsubstituted benzenoid 3 2.3 1.3 1.0
Oxane 3 2.3 1.9 0.4
Polyol 3 2.3 1.6 0.7
Vinylogous acid 3 2.3 0.1 2.2
Phenol 3 2.3 0.5 1.8
Aliphatic acyclic compound 3 2.3 2.9 0.7
Amine 2 1.5 4.4 2.9
O-glycosyl compound 2 1.5 1.2 0.3
1-benzopyran 1 0.8 0.1 0.7
Pyranone 1 0.8 0.0 0.7
Pyran 1 0.8 0.1 0.7
Primary alcohol 1 0.8 0.9 0.1
Acetal 1 0.8 1.5 0.7
Glycosyl compound 1 0.8 0.7 0.0
Carboxamide group 1 0.8 5.5 4.7

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_2699 551.3180 551.3180 None 0.826 0.505
document_3670 639.4080 639.4080 None 0.808 0.635
document_3184 595.3820 595.3820 None 0.781 0.573
document_1593 463.3050 463.3050 None 0.750 0.667
document_2697 551.3430 551.3430 None 0.736 0.766
document_3457 625.3930 625.3930 None 0.712 0.825
document_3638 639.3520 639.3520 None 0.660 0.251
document_3672 639.4080 639.4080 None 0.646 0.367
document_3155 595.3390 595.3390 None 0.645 0.558
document_3661 639.4070 639.4070 None 0.635 0.636
document_3634 639.3570 639.3570 None 0.635 0.233
document_2711 551.3550 551.3550 None 0.633 0.496
document_2566 537.3400 537.3400 None 0.629 0.659
document_3154 595.3560 595.3560 None 0.601 0.769
document_3918 669.4190 669.4190 None 0.569 0.716
document_3663 639.4080 639.4080 None 0.567 0.278
document_2710 551.3550 551.3550 None 0.565 0.565
document_3637 639.3550 639.3550 None 0.564 0.375
document_3674 639.4080 639.4080 None 0.543 0.556
document_3168 595.3600 595.3600 None 0.540 0.621
document_3021 581.3660 581.3660 None 0.538 0.644
document_2567 537.3400 537.3400 None 0.537 0.489
document_3178 595.3810 595.3810 None 0.534 0.536
document_3187 595.3810 595.3810 None 0.509 0.370
document_4120 683.4340 683.4340 None 0.497 0.373
document_477 419.2750 419.2750 None 0.492 0.235
document_2698 551.3340 551.3340 None 0.481 0.746
document_4099 683.4190 683.4190 None 0.476 0.729
document_2700 551.3060 551.3060 None 0.466 0.320
document_3458 625.3920 625.3920 None 0.460 0.594
document_469 419.2660 419.2660 None 0.454 0.074
document_4647 713.4450 713.4450 None 0.451 0.385
document_3183 595.3810 595.3810 None 0.445 0.339
document_4123 683.4340 683.4340 None 0.440 0.510
document_4646 713.4450 713.4450 None 0.439 0.668
document_4911 727.4600 727.4600 None 0.435 0.194
document_3671 639.4080 639.4080 None 0.422 0.621
document_3164 595.3660 595.3660 None 0.421 0.483
document_3645 639.3570 639.3570 None 0.412 0.385
document_3669 639.4080 639.4080 None 0.403 0.294
document_3630 639.3930 639.3930 None 0.391 0.706
document_503 419.2780 419.2780 None 0.367 0.205
document_3676 639.4080 639.4080 None 0.339 0.379
document_3631 639.3970 639.3970 None 0.330 0.755
document_3635 639.3990 639.3990 None 0.326 0.585
document_3456 625.3920 625.3920 None 0.322 0.466
document_4914 727.4600 727.4600 None 0.311 0.432
document_3180 595.3810 595.3810 None 0.311 0.233
document_3675 639.4090 639.4090 None 0.310 0.534
document_4913 727.4600 727.4600 None 0.307 0.458
document_3158 595.3270 595.3270 None 0.297 0.288
document_3660 639.4080 639.4080 None 0.297 0.459
document_3153 595.3630 595.3630 None 0.295 0.799
document_3185 595.3810 595.3810 None 0.293 0.176
document_4893 727.4230 727.4230 None 0.292 0.516
document_4896 727.4010 727.4010 None 0.278 0.519
document_3644 639.3850 639.3850 None 0.266 0.466
document_498 419.2780 419.2780 None 0.266 0.348
document_5681 859.5370 859.5370 None 0.258 0.268
document_4121 683.4340 683.4340 None 0.252 0.492
document_3163 595.3480 595.3480 None 0.252 0.272
document_4103 683.3910 683.3910 None 0.247 0.286
document_4648 713.4460 713.4460 None 0.240 0.428
document_3677 639.4080 639.4080 None 0.235 0.465
document_3643 639.3550 639.3550 None 0.229 0.197
document_3632 639.3060 639.3060 None 0.222 0.409
document_1590 463.3020 463.3020 None 0.213 0.081
document_4124 683.4340 683.4340 None 0.209 0.336
document_3165 595.3520 595.3520 None 0.199 0.089
document_18 400.7330 400.7330 None 0.191 0.388
document_4104 683.3960 683.3960 None 0.188 0.397
document_4118 683.4340 683.4340 None 0.185 0.522
document_1583 463.3010 463.3010 None 0.182 0.072
document_3662 639.4070 639.4070 None 0.173 0.618
document_4101 683.3950 683.3950 None 0.171 0.488
document_319 413.2340 413.2340 None 0.171 0.268
document_1584 463.3010 463.3010 None 0.169 0.388
document_3659 639.4070 639.4070 None 0.164 0.433
document_81 403.1630 403.1630 None 0.158 0.281
document_517 420.2340 420.2340 None 0.157 0.388
document_4096 683.3760 683.3760 None 0.155 0.345
document_2658 547.1200 547.1200 None 0.154 0.322
document_4164 688.3860 688.3860 None 0.151 0.268
document_4895 727.3940 727.3940 None 0.143 0.457
document_4097 683.4200 683.4200 None 0.138 0.385
document_4098 683.4160 683.4160 None 0.134 0.424
document_1361 449.2870 449.2870 None 0.133 0.403
document_1598 464.2620 464.2620 None 0.125 0.126
document_3636 639.3630 639.3630 None 0.124 0.238
document_4823 718.5370 718.5370 None 0.123 0.056
document_4930 730.4840 730.4840 None 0.122 0.268
document_4910 727.4590 727.4590 None 0.119 0.268
document_3805 656.2580 656.2580 Rifamycin W 0.119 0.268
document_3188 595.3820 595.3820 None 0.117 0.355
document_3232 601.2420 601.2420 None 0.116 0.268
document_51 401.2470 401.2470 None 0.114 0.027
document_4848 722.4910 722.4910 None 0.110 0.288
document_4126 683.4370 683.4370 None 0.108 0.440
document_4679 716.4150 716.4150 None 0.105 0.268
document_1396 452.4250 452.4250 None 0.104 0.054
document_4100 683.4160 683.4160 None 0.100 0.348
document_1365 450.2180 450.2180 None 0.094 0.148
document_2263 507.2980 507.2980 None 0.089 0.268
document_3161 595.3300 595.3300 None 0.088 0.140
document_5411 771.3750 771.3750 None 0.086 0.167
document_1582 463.3010 463.3010 None 0.085 0.218
document_1828 482.1830 482.1830 None 0.079 0.078
document_1337 447.2060 447.2060 None 0.079 0.268
document_3807 656.3100 656.3100 Rifamycin W 0.075 0.268
document_1395 452.4250 452.4250 None 0.074 0.268
document_4732 716.4680 716.4680 None 0.070 0.268
document_5244 749.4440 749.4440 None 0.068 0.070
document_191 407.2550 407.2550 None 0.068 0.268
document_4555 706.3940 706.3940 None 0.068 0.268
document_1611 466.2210 466.2210 None 0.067 0.084
document_2840 565.3720 565.3720 None 0.066 0.288
document_4265 690.4660 690.4660 None 0.066 0.274
document_3641 639.3700 639.3700 None 0.066 0.312
document_5814 956.3420 956.3420 None 0.066 0.070
document_1277 443.2710 443.2710 None 0.064 0.128
document_845 429.3180 429.3180 None 0.063 0.268
document_4129 683.4390 683.4390 None 0.063 0.195
document_665 422.1530 422.1530 None 0.063 0.072
document_1356 449.2380 449.2380 None 0.059 0.268
document_1237 443.2630 443.2630 None 0.058 0.128
document_5064 738.3950 738.3950 None 0.058 0.268
document_1475 457.3230 457.3230 None 0.055 0.084
document_3287 607.5660 607.5660 None 0.053 0.070
document_365 413.2700 413.2700 None 0.053 0.093
document_339 413.2460 413.2460 None 0.053 0.268
document_5413 771.4860 771.4860 None 0.052 0.334
document_1592 463.3020 463.3020 None 0.050 0.199

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.