Mass2Motif: motif_195

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 0.9801599039139876. 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_67.0500 0.379
fragment_55.0500 0.241
fragment_549.3500 0.183
loss_141.0500 0.079
fragment_280.1500 0.046
fragment_550.3500 0.025
fragment_93.0500 0.014
fragment_153.0500 0.003
fragment_339.2500 0.003
fragment_265.1500 0.002
fragment_237.1500 0.002
fragment_282.2500 0.001
fragment_304.9500 0.001
fragment_260.4500 0.001

Counts of Classyfire Substituent terms

Term name Count in motif Percentage in motif Percentage in experiment Absolute difference
Hydrocarbon derivative 233 100 100 0
Organooxygen compound 212 91.0 95.3 4.3
Carbonyl group 103 44.2 44.0 0.2
Organic nitrogen compound 80 34.3 55.6 21.3
Organonitrogen compound 71 30.5 54.1 23.6
Alcohol 58 24.9 14.7 10.2
Organopnictogen compound 46 19.7 45.2 25.5
Aliphatic acyclic compound 26 11.2 2.9 8.2
Secondary alcohol 26 11.2 7.7 3.5
Azacycle 18 7.7 22.6 14.9
Organoheterocyclic compound 11 4.7 13.3 8.6
Benzenoid 11 4.7 18.3 13.6
Oxacycle 8 3.4 7.9 4.5
Carboxylic acid ester 4 1.7 1.8 0.1
Amine 3 1.3 4.4 3.1
Carboxamide group 3 1.3 5.5 4.2
Aromatic heteropolycyclic compound 2 0.9 9.6 8.8
Heteroaromatic compound 2 0.9 5.8 4.9
Aliphatic homopolycyclic compound 1 0.4 0.0 0.4
Primary alcohol 1 0.4 0.9 0.4
Oxane 1 0.4 1.9 1.5
O-glycosyl compound 1 0.4 1.2 0.8
Polyol 1 0.4 1.6 1.2
Acetal 1 0.4 1.5 1.0
Glycosyl compound 1 0.4 0.7 0.3
1-hydroxy-2-unsubstituted benzenoid 1 0.4 1.3 0.9

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_4202 690.4000 690.4000 None 0.592 0.882
document_4215 690.4010 690.4010 None 0.584 0.547
document_4237 690.4020 690.4020 None 0.546 0.882
document_4251 690.4020 690.4020 None 0.490 0.504
document_4225 690.4020 690.4020 None 0.482 0.589
document_2407 521.3510 521.3510 None 0.480 0.046
document_4256 690.4020 690.4020 None 0.447 0.925
document_4229 690.4010 690.4010 None 0.440 0.954
document_3537 634.3070 634.3070 None 0.438 0.619
document_4673 716.4480 716.4480 None 0.421 0.708
document_4188 689.8790 689.8790 None 0.421 0.828
document_4255 690.4020 690.4020 None 0.414 0.927
document_4691 716.4150 716.4150 None 0.404 0.763
document_4224 690.4010 690.4010 None 0.399 0.323
document_3716 644.4630 644.4630 None 0.397 0.697
document_4213 690.4010 690.4010 None 0.378 0.576
document_4207 690.4010 690.4010 None 0.374 0.655
document_4209 690.4010 690.4010 None 0.372 0.724
document_4232 690.4010 690.4010 None 0.359 0.700
document_4206 690.4020 690.4020 None 0.359 0.576
document_4230 690.4010 690.4010 None 0.349 0.532
document_1797 480.2210 480.2210 None 0.347 0.701
document_4221 690.4010 690.4010 None 0.347 0.879
document_4236 690.4010 690.4010 None 0.336 0.668
document_4204 690.4010 690.4010 None 0.335 0.504
document_4240 690.4010 690.4010 None 0.333 0.517
document_4776 718.4760 718.4760 None 0.328 0.619
document_4189 689.4490 689.4490 None 0.325 0.849
document_4205 690.4010 690.4010 None 0.316 0.882
document_4216 690.4010 690.4010 None 0.315 0.312
document_4711 716.4770 716.4770 None 0.309 0.631
document_242 412.1630 412.1630 None 0.309 0.046
document_4263 690.4020 690.4020 None 0.306 0.640
document_4239 690.4010 690.4010 None 0.299 0.532
document_4702 716.4150 716.4150 None 0.298 0.381
document_4234 690.4020 690.4020 None 0.293 0.532
document_4253 690.4020 690.4020 None 0.285 0.527
document_4730 716.4740 716.4740 None 0.284 0.633
document_4728 716.4160 716.4160 None 0.279 0.744
document_5206 744.4430 744.4430 None 0.279 0.619
document_4766 718.4560 718.4560 None 0.275 0.691
document_4208 690.4010 690.4010 None 0.274 0.339
document_4245 690.4020 690.4020 None 0.272 0.336
document_4220 690.4010 690.4010 None 0.270 0.334
document_4231 690.4010 690.4010 None 0.256 0.882
document_4214 690.4010 690.4010 None 0.252 0.264
document_4679 716.4150 716.4150 None 0.252 0.682
document_4184 689.6260 689.6260 None 0.251 0.802
document_4218 690.4010 690.4010 None 0.249 0.553
document_4699 716.4150 716.4150 None 0.242 0.740
document_4178 690.3150 690.3150 None 0.231 0.561
document_4254 690.4020 690.4020 None 0.229 0.617
document_2573 537.4880 537.4880 None 0.228 0.619
document_4248 690.4020 690.4020 None 0.224 0.552
document_4530 704.5210 704.5210 None 0.217 0.453
document_4210 690.4010 690.4010 None 0.211 0.423
document_4274 691.4420 691.4420 None 0.203 0.619
document_392 415.2690 415.2690 None 0.200 0.240
document_4179 690.2540 690.2540 None 0.198 0.695
document_4510 704.4150 704.4150 None 0.196 0.698
document_2186 502.2110 502.2110 None 0.196 0.620
document_4252 690.4450 690.4450 None 0.193 0.619
document_4710 716.4570 716.4570 None 0.192 0.615
document_4402 703.8040 703.8040 None 0.191 0.377
document_4513 704.4150 704.4150 None 0.188 0.694
document_4222 690.4020 690.4020 None 0.178 0.313
document_5149 740.5140 740.5140 None 0.175 0.319
document_4778 718.4290 718.4290 None 0.172 0.697
document_4724 716.4160 716.4160 None 0.172 0.472
document_1724 473.3040 473.3040 None 0.169 0.393
document_4177 689.1730 689.1730 None 0.169 0.619
document_3973 676.4120 676.4120 None 0.166 0.379
document_4676 716.4310 716.4310 None 0.165 0.745
document_219 409.2550 409.2550 None 0.164 0.046
document_4243 690.4440 690.4440 None 0.159 0.698
document_4187 690.0880 690.0880 None 0.158 0.666
document_4185 688.4920 688.4920 None 0.154 0.714
document_5211 744.4860 744.4860 None 0.152 0.318
document_4228 690.4010 690.4010 None 0.152 0.264
document_4162 688.4700 688.4700 None 0.150 0.695
document_4997 734.4320 734.4320 None 0.150 0.255
document_4674 716.4150 716.4150 None 0.146 0.752
document_4720 716.4150 716.4150 None 0.144 0.506
document_5117 740.4640 740.4640 None 0.141 0.619
document_5014 734.4260 734.4260 None 0.140 0.460
document_3942 673.3250 673.3250 None 0.137 0.619
document_5118 740.4090 740.4090 None 0.134 0.617
document_1286 443.8120 443.8120 None 0.134 0.241
document_5196 744.4430 744.4430 None 0.133 0.240
document_2822 563.4650 563.4650 None 0.132 0.378
document_5581 819.5000 819.5000 None 0.132 0.619
document_4727 716.4160 716.4160 None 0.131 0.697
document_5129 740.4900 740.4900 None 0.131 0.456
document_1350 448.2400 448.2400 None 0.130 0.378
document_4725 716.4400 716.4400 None 0.124 0.747
document_4512 704.4150 704.4150 None 0.124 0.458
document_3975 676.4660 676.4660 None 0.122 0.457
document_4680 716.4150 716.4150 None 0.122 0.701
document_3607 638.1570 638.1570 None 0.122 0.378
document_5064 738.3950 738.3950 None 0.121 0.460
document_3354 613.2480 613.2480 None 0.120 0.241
document_4762 718.4290 718.4290 None 0.120 0.699
document_4392 702.4100 702.4100 None 0.119 0.745
document_4170 690.0860 690.0860 None 0.118 0.232
document_4692 716.4150 716.4150 None 0.117 0.504
document_1730 473.8560 473.8560 None 0.116 0.239
document_4839 720.5540 720.5540 None 0.115 0.458
document_4717 716.4150 716.4150 None 0.115 0.458
document_4069 680.4260 680.4260 None 0.114 0.619
document_4261 690.4420 690.4420 None 0.113 0.459
document_1312 444.2500 444.2500 None 0.113 0.238
document_4928 730.4760 730.4760 None 0.113 0.707
document_4176 690.1880 690.1880 None 0.111 0.451
document_4824 718.5370 718.5370 None 0.110 0.378
document_5112 740.4100 740.4100 None 0.110 0.699
document_4171 689.9070 689.9070 None 0.110 0.620
document_4246 690.4320 690.4320 None 0.107 0.462
document_4883 726.4120 726.4120 None 0.106 0.695
document_4708 716.4150 716.4150 None 0.106 0.746
document_4212 690.4150 690.4150 None 0.106 0.457
document_5203 744.4430 744.4430 None 0.106 0.460
document_5097 739.4220 739.4220 None 0.104 0.379
document_4244 690.4230 690.4230 None 0.104 0.506
document_4557 706.4490 706.4490 None 0.103 0.240
document_3317 611.4100 611.4100 None 0.103 0.183
document_1638 467.3860 467.3860 None 0.103 0.380
document_4275 690.5060 690.5060 None 0.101 0.698
document_5073 738.3950 738.3950 None 0.101 0.381
document_4771 718.4300 718.4300 None 0.101 0.698
document_4249 690.4640 690.4640 None 0.100 0.460
document_4967 732.4060 732.4060 None 0.099 0.378
document_4175 689.7530 689.7530 None 0.099 0.616
document_4507 704.4150 704.4150 None 0.097 0.698
document_1300 443.3320 443.3320 None 0.097 0.241
document_4235 690.4480 690.4480 None 0.096 0.457
document_4707 716.4150 716.4150 None 0.095 0.742
document_5047 738.3960 738.3960 None 0.095 0.619
document_4523 704.4150 704.4150 None 0.094 0.698
document_4712 716.4150 716.4150 None 0.093 0.458
document_3903 667.5980 667.5980 None 0.093 0.378
document_4070 680.4260 680.4260 None 0.090 0.376
document_4519 704.4150 704.4150 None 0.090 0.695
document_4703 716.4150 716.4150 None 0.090 0.366
document_4684 716.4140 716.4140 None 0.090 0.518
document_3301 609.3020 609.3020 None 0.089 0.378
document_4930 730.4840 730.4840 None 0.089 0.364
document_5183 744.4440 744.4440 None 0.089 0.703
document_29 401.1930 401.1930 None 0.088 0.240
document_5190 744.4430 744.4430 None 0.088 0.701
document_4697 716.4150 716.4150 None 0.088 0.748
document_4174 690.0700 690.0700 None 0.087 0.379
document_1857 485.2670 485.2670 None 0.086 0.240
document_4689 716.4150 716.4150 None 0.086 0.510
document_4780 718.4290 718.4290 None 0.085 0.460
document_1961 491.2120 491.2120 None 0.085 0.239
document_4280 690.5070 690.5070 None 0.084 0.379
document_4682 716.4150 716.4150 None 0.084 0.701
document_4182 690.0640 690.0640 None 0.083 0.644
document_3870 664.4010 664.4010 None 0.083 0.458
document_1345 447.7660 447.7660 None 0.082 0.380
document_5161 740.5190 740.5190 None 0.081 0.378
document_3813 657.3920 657.3920 None 0.079 0.209
document_4669 716.4140 716.4140 None 0.078 0.458
document_4227 690.4010 690.4010 None 0.077 0.319
document_4767 718.5070 718.5070 None 0.077 0.376
document_4598 710.4380 710.4380 None 0.076 0.457
document_1406 453.7830 453.7830 None 0.075 0.378
document_2708 551.3280 551.3280 None 0.075 0.379
document_4965 732.4050 732.4050 None 0.074 0.696
document_4677 716.4320 716.4320 None 0.073 0.743
document_2699 551.3180 551.3180 None 0.073 0.379
document_4665 716.4150 716.4150 None 0.073 0.700
document_5115 740.4100 740.4100 None 0.073 0.375
document_4071 680.4260 680.4260 None 0.072 0.379
document_1489 457.4010 457.4010 None 0.072 0.240
document_4678 716.4250 716.4250 None 0.072 0.747
document_5194 744.4430 744.4430 None 0.070 0.700
document_1209 441.2640 441.2640 None 0.070 0.241
document_4683 716.4150 716.4150 None 0.070 0.505
document_5580 819.4990 819.4990 None 0.068 0.378
document_4688 716.4150 716.4150 None 0.067 0.700
document_5003 734.3930 734.3930 None 0.067 0.389
document_4226 690.4350 690.4350 None 0.067 0.458
document_2556 535.8170 535.8170 None 0.067 0.375
document_2428 523.4190 523.4190 None 0.066 0.243
document_4709 716.4150 716.4150 None 0.066 0.459
document_2063 497.8090 497.8090 None 0.066 0.376
document_4395 702.4010 702.4010 None 0.066 0.320
document_5130 740.4520 740.4520 None 0.065 0.319
document_5593 819.5000 819.5000 None 0.064 0.240
document_3860 664.3420 664.3420 None 0.064 0.380
document_4618 712.3820 712.3820 None 0.063 0.346
document_5120 740.4100 740.4100 None 0.063 0.711
document_4600 710.4110 710.4110 None 0.063 0.881
document_3872 664.3880 664.3880 None 0.062 0.459
document_1882 485.3780 485.3780 None 0.062 0.377
document_3430 622.0210 622.0210 None 0.062 0.633
document_5048 738.3950 738.3950 None 0.062 0.472
document_2922 569.9730 569.9730 None 0.062 0.241
document_2956 573.2520 573.2520 None 0.061 0.241
document_3158 595.3270 595.3270 None 0.061 0.241
document_542 421.2300 421.2300 None 0.061 0.241
document_1295 443.3310 443.3310 None 0.060 0.241
document_4355 696.1880 696.1880 None 0.060 0.633
document_4714 716.4500 716.4500 None 0.060 0.698
document_4628 712.4880 712.4880 None 0.059 0.694
document_3902 667.5340 667.5340 None 0.059 0.241
document_4403 702.6810 702.6810 None 0.058 0.239
document_1239 442.1810 442.1810 None 0.058 0.046
document_2762 557.4880 557.4880 None 0.057 0.378
document_4765 718.5180 718.5180 None 0.057 0.458
document_2331 513.1650 513.1650 None 0.057 0.241
document_4729 716.4160 716.4160 None 0.057 0.458
document_1457 457.2640 457.2640 None 0.056 0.239
document_4371 699.2020 699.2020 None 0.056 0.241
document_4648 713.4460 713.4460 None 0.056 0.378
document_5252 752.4090 752.4090 None 0.056 0.378
document_4183 690.1000 690.1000 None 0.056 0.440
document_4794 718.5330 718.5330 None 0.055 0.458
document_5201 744.4430 744.4430 None 0.055 0.460
document_4217 690.4010 690.4010 None 0.054 0.239
document_4734 716.4700 716.4700 None 0.054 0.458
document_1344 447.7670 447.7670 None 0.054 0.379
document_4375 701.1200 701.1200 None 0.054 0.377
document_4277 692.3710 692.3710 None 0.053 0.378
document_4759 718.4300 718.4300 None 0.052 0.321
document_3602 636.9010 636.9010 None 0.052 0.378
document_5060 738.3950 738.3950 None 0.052 0.698
document_4706 716.4150 716.4150 None 0.052 0.504
document_4624 712.4700 712.4700 None 0.051 0.741
document_4527 704.4150 704.4150 None 0.051 0.319
document_5104 739.5900 739.5900 None 0.051 0.241
document_4733 716.4340 716.4340 None 0.051 0.459

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.