Mass2Motif: motif_131

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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 0.9962678097037622. 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
loss_141.0500 0.970
fragment_83.0500 0.016
loss_140.0500 0.004
fragment_523.4500 0.003
fragment_109.0500 0.002
fragment_524.4500 0.001

Counts of Classyfire Substituent terms

Term name Count in motif Percentage in motif Percentage in experiment Absolute difference
Hydrocarbon derivative 484 100 100 0
Organooxygen compound 433 89.5 95.3 5.9
Carbonyl group 168 34.7 44.0 9.3
Organic nitrogen compound 125 25.8 55.6 29.8
Alcohol 116 24.0 14.7 9.3
Organonitrogen compound 116 24.0 54.1 30.1
Organopnictogen compound 95 19.6 45.2 25.6
Secondary alcohol 60 12.4 7.7 4.7
Aliphatic acyclic compound 56 11.6 2.9 8.6
Organoheterocyclic compound 32 6.6 13.3 6.7
Azacycle 18 3.7 22.6 18.9
Oxacycle 18 3.7 7.9 4.2
Oxane 11 2.3 1.9 0.4
Polyol 8 1.7 1.6 0.1
Benzenoid 7 1.4 18.3 16.9
O-glycosyl compound 7 1.4 1.2 0.2
Acetal 6 1.2 1.5 0.2
Heteroaromatic compound 5 1.0 5.8 4.7
Aromatic heteropolycyclic compound 5 1.0 9.6 8.6
Glycosyl compound 3 0.6 0.7 0.1
Carboxylic acid ester 2 0.4 1.8 1.4
1-hydroxy-2-unsubstituted benzenoid 1 0.2 1.3 1.1
1-hydroxy-4-unsubstituted benzenoid 1 0.2 0.2 0.0
Aliphatic homopolycyclic compound 1 0.2 0.0 0.2
Amine 1 0.2 4.4 4.2
Primary alcohol 1 0.2 0.9 0.7

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_3871 664.4790 664.4790 None 0.845 0.981
document_4038 678.5060 678.5060 None 0.454 0.986
document_4343 694.5010 694.5010 None 0.443 0.986
document_4321 692.5170 692.5170 None 0.426 0.984
document_1184 440.2770 440.2770 None 0.389 0.970
document_4580 708.5160 708.5160 None 0.385 0.970
document_1652 468.3070 468.3070 None 0.363 0.986
document_1181 440.3100 440.3100 None 0.348 0.977
document_1177 440.2770 440.2770 None 0.338 0.973
document_4300 692.4910 692.4910 None 0.336 0.986
document_4045 678.5070 678.5070 None 0.333 0.990
document_4026 678.5070 678.5070 None 0.333 0.990
document_1408 454.2930 454.2930 None 0.333 0.984
document_4303 692.5030 692.5030 None 0.328 0.970
document_4309 692.5170 692.5170 None 0.324 0.972
document_4037 678.5060 678.5060 None 0.324 0.972
document_4043 678.5060 678.5060 None 0.322 0.975
document_4025 678.5070 678.5070 None 0.322 0.975
document_4020 678.5060 678.5060 None 0.313 0.972
document_4816 718.5320 718.5320 None 0.312 0.975
document_1410 454.2910 454.2910 None 0.310 0.970
document_4035 678.5070 678.5070 None 0.309 0.974
document_4040 678.5070 678.5070 None 0.309 0.990
document_4023 678.5070 678.5070 None 0.309 0.975
document_4013 678.5070 678.5070 None 0.306 0.986
document_4818 718.5320 718.5320 None 0.306 0.973
document_1651 468.3090 468.3090 None 0.306 0.977
document_1445 456.2700 456.2700 None 0.306 0.990
document_4052 678.5070 678.5070 None 0.305 0.975
document_4044 678.5070 678.5070 None 0.304 0.975
document_4014 678.5070 678.5070 None 0.302 0.973
document_4053 678.5070 678.5070 None 0.301 0.990
document_4022 678.5070 678.5070 None 0.301 0.975
document_4008 678.5060 678.5060 None 0.300 0.990
document_4051 678.5070 678.5070 None 0.298 0.992
document_4977 732.5470 732.5470 None 0.297 0.969
document_4017 678.5070 678.5070 None 0.296 0.975
document_4046 678.5070 678.5070 None 0.295 0.975
document_4054 678.5080 678.5080 None 0.294 0.990
document_1390 452.2740 452.2740 None 0.294 0.974
document_4042 678.5070 678.5070 None 0.294 0.977
document_4032 678.5060 678.5060 None 0.294 0.975
document_4801 718.5320 718.5320 None 0.292 0.973
document_4012 678.5060 678.5060 None 0.292 0.975
document_4986 732.5470 732.5470 None 0.292 0.970
document_4006 678.5070 678.5070 None 0.292 0.977
document_4019 678.5070 678.5070 None 0.291 0.990
document_4055 678.5080 678.5080 None 0.290 0.990
document_4033 678.5060 678.5060 None 0.290 0.990
document_1182 440.2770 440.2770 None 0.289 0.990
document_4041 678.5070 678.5070 None 0.288 0.975
document_4031 678.5070 678.5070 None 0.288 0.973
document_4048 678.5080 678.5080 None 0.288 0.975
document_4796 718.5320 718.5320 None 0.288 0.969
document_4794 718.5330 718.5330 None 0.287 0.970
document_4930 730.4840 730.4840 None 0.287 0.970
document_4009 678.5060 678.5060 None 0.287 0.975
document_5302 758.5620 758.5620 None 0.287 0.970
document_4809 718.5320 718.5320 None 0.285 0.986
document_4034 678.5070 678.5070 None 0.285 0.975
document_4027 678.5070 678.5070 None 0.285 0.977
document_4021 678.5070 678.5070 None 0.285 0.986
document_4047 678.5060 678.5060 None 0.285 0.977
document_4024 678.5060 678.5060 None 0.283 0.990
document_5300 758.5620 758.5620 None 0.283 0.970
document_1179 440.2750 440.2750 None 0.282 0.990
document_1391 452.2720 452.2720 None 0.282 0.965
document_1187 440.2780 440.2780 None 0.281 0.975
document_4018 678.5070 678.5070 None 0.281 0.975
document_4039 678.5070 678.5070 None 0.281 0.975
document_714 426.2600 426.2600 None 0.278 0.990
document_1176 440.2760 440.2760 None 0.277 0.967
document_4015 678.5070 678.5070 None 0.277 0.972
document_4077 680.4860 680.4860 None 0.275 0.990
document_4788 718.5320 718.5320 None 0.275 0.990
document_1647 468.3090 468.3090 None 0.274 0.974
document_4504 704.4870 704.4870 None 0.272 0.992
document_4803 718.5320 718.5320 None 0.271 0.990
document_4805 718.5320 718.5320 None 0.271 0.975
document_4807 718.5320 718.5320 None 0.270 0.990
document_4050 678.5070 678.5070 None 0.270 0.975
document_4806 718.5320 718.5320 None 0.270 0.986
document_1407 454.2910 454.2910 None 0.270 0.977
document_4049 678.5070 678.5070 None 0.270 0.975
document_4814 718.5320 718.5320 None 0.267 0.970
document_4984 732.5470 732.5470 None 0.267 0.990
document_716 426.2600 426.2600 None 0.266 0.971
document_4943 730.5330 730.5330 None 0.265 0.990
document_4344 694.5010 694.5010 None 0.265 0.975
document_4948 730.5330 730.5330 None 0.264 0.975
document_715 426.2600 426.2600 None 0.264 0.975
document_4983 732.5470 732.5470 None 0.263 0.977
document_4942 730.5320 730.5320 None 0.263 0.990
document_1649 468.3070 468.3070 None 0.262 0.969
document_4271 690.5060 690.5060 None 0.262 0.974
document_3595 636.4180 636.4180 None 0.262 0.977
document_4016 678.5060 678.5060 None 0.262 0.975
document_5301 758.5620 758.5620 None 0.261 0.986
document_4800 718.5320 718.5320 None 0.261 0.990
document_4330 692.5230 692.5230 None 0.261 0.987
document_5186 744.4430 744.4430 None 0.260 0.988
document_4347 694.5010 694.5010 None 0.260 0.975
document_4928 730.4760 730.4760 None 0.260 0.970
document_4989 732.5470 732.5470 None 0.259 0.972
document_4337 694.5010 694.5010 None 0.259 0.990
document_4812 718.5320 718.5320 None 0.259 0.975
document_4964 732.5690 732.5690 None 0.259 0.992
document_5202 744.5050 744.5050 None 0.258 0.962
document_4974 732.5470 732.5470 None 0.257 0.974
document_4308 692.5180 692.5180 None 0.257 0.988
document_4790 718.5320 718.5320 None 0.257 0.990
document_4323 692.5170 692.5170 None 0.256 0.988
document_4076 680.4870 680.4870 None 0.255 0.992
document_4074 680.4860 680.4860 None 0.255 0.990
document_4705 716.4150 716.4150 None 0.254 0.988
document_4036 678.5060 678.5060 None 0.254 0.975
document_4327 692.5240 692.5240 None 0.254 0.987
document_1650 468.3060 468.3060 None 0.253 0.992
document_4004 678.4970 678.4970 None 0.252 0.970
document_4981 732.5470 732.5470 None 0.252 0.975
document_4331 692.5240 692.5240 None 0.252 0.987
document_4761 718.4960 718.4960 None 0.251 0.970
document_4011 678.5070 678.5070 None 0.250 0.990
document_4797 718.5320 718.5320 None 0.250 0.975
document_4324 692.5170 692.5170 None 0.248 0.983
document_4820 718.5320 718.5320 None 0.248 0.975
document_4929 730.5100 730.5100 None 0.248 0.973
document_4704 716.4750 716.4750 None 0.247 0.984
document_4328 692.5240 692.5240 None 0.247 0.972
document_4951 730.5330 730.5330 None 0.247 0.975
document_4980 732.5470 732.5470 None 0.246 0.971
document_4030 678.5050 678.5050 None 0.246 0.977
document_4952 730.5330 730.5330 None 0.245 0.975
document_3598 636.4180 636.4180 None 0.245 0.975
document_4579 708.5160 708.5160 None 0.245 0.975
document_4345 694.5010 694.5010 None 0.244 0.990
document_5298 758.5620 758.5620 None 0.241 0.991
document_4318 692.5170 692.5170 None 0.240 0.972
document_4811 718.5320 718.5320 None 0.240 0.990
document_4808 718.5320 718.5320 None 0.239 0.989
document_4802 718.5320 718.5320 None 0.238 0.977
document_4329 692.5230 692.5230 None 0.238 0.972
document_5295 758.5620 758.5620 None 0.238 0.990
document_5297 758.5620 758.5620 None 0.237 0.977
document_5299 758.5620 758.5620 None 0.236 0.975
document_4778 718.4290 718.4290 None 0.236 0.970
document_4976 732.5470 732.5470 None 0.236 0.990
document_4822 718.5340 718.5340 None 0.236 0.975
document_4799 718.5320 718.5320 None 0.235 0.975
document_4722 716.4150 716.4150 None 0.234 0.970
document_1446 456.2700 456.2700 None 0.234 0.972
document_5296 758.5620 758.5620 None 0.233 0.975
document_4762 718.4290 718.4290 None 0.233 0.970
document_4734 716.4700 716.4700 None 0.232 0.970
document_4990 732.5470 732.5470 None 0.231 0.975
document_3596 636.4180 636.4180 None 0.231 0.975
document_4988 732.5470 732.5470 None 0.231 0.974
document_4793 718.5330 718.5330 None 0.230 0.972
document_4949 730.5330 730.5330 None 0.230 0.990
document_4795 718.5320 718.5320 None 0.227 0.990
document_3104 590.4020 590.4020 None 0.227 0.989
document_1183 440.2900 440.2900 None 0.226 0.975
document_4987 732.5470 732.5470 None 0.226 0.977
document_5219 744.5470 744.5470 None 0.225 0.987
document_4028 678.5060 678.5060 None 0.225 0.992
document_4804 718.5320 718.5320 None 0.225 0.975
document_1178 440.2760 440.2760 None 0.224 0.970
document_4780 718.4290 718.4290 None 0.223 0.986
document_4946 730.5330 730.5330 None 0.222 0.975
document_4338 694.5000 694.5000 None 0.222 0.974
document_4310 692.5170 692.5170 None 0.221 0.989
document_4341 694.5010 694.5010 1,2-dipalmitoyl-sn-glycero-3-phosphoethanolamine 0.220 0.975
document_4792 718.5330 718.5330 None 0.219 0.972
document_4075 680.4860 680.4860 None 0.217 0.975
document_4685 716.4150 716.4150 None 0.215 0.986
document_1653 468.3230 468.3230 None 0.215 0.970
document_5294 758.5620 758.5620 None 0.215 0.990
document_4315 692.5170 692.5170 None 0.214 0.987
document_4982 732.5470 732.5470 None 0.214 0.974
document_4342 694.5010 694.5010 1,2-dipalmitoyl-sn-glycero-3-phosphoethanolamine 0.214 0.990
document_4216 690.4010 690.4010 None 0.214 0.970
document_5303 758.5630 758.5630 None 0.213 0.975
document_4713 716.4150 716.4150 None 0.213 0.970
document_4340 694.5010 694.5010 None 0.213 0.977
document_5227 744.5470 744.5470 None 0.212 0.970
document_5194 744.4430 744.4430 None 0.212 0.970
document_5217 744.5470 744.5470 None 0.212 0.970
document_4010 678.5060 678.5060 None 0.212 0.975
document_4726 716.4160 716.4160 None 0.210 0.973
document_4769 718.4710 718.4710 None 0.208 0.990
document_4322 692.5170 692.5170 None 0.208 0.987
document_4947 730.5330 730.5330 None 0.207 0.972
document_5208 744.4430 744.4430 None 0.207 0.988
document_4810 718.5320 718.5320 None 0.206 0.977
document_4281 690.5070 690.5070 None 0.205 0.961
document_4250 690.4750 690.4750 None 0.205 0.986
document_5182 744.4480 744.4480 None 0.205 0.988
document_4682 716.4150 716.4150 None 0.205 0.986
document_4689 716.4150 716.4150 None 0.205 0.986
document_4525 704.4150 704.4150 None 0.204 0.977
document_4307 692.5170 692.5170 None 0.203 0.965
document_4765 718.5180 718.5180 None 0.202 0.990
document_5185 744.4430 744.4430 None 0.202 0.986
document_4782 718.4460 718.4460 None 0.200 0.986
document_4695 716.4150 716.4150 None 0.199 0.988
document_4717 716.4150 716.4150 None 0.199 0.986
document_4773 718.4300 718.4300 None 0.199 0.970
document_4512 704.4150 704.4150 None 0.199 0.973
document_4718 716.4150 716.4150 None 0.198 0.986
document_3873 664.3880 664.3880 None 0.198 0.970
document_4834 720.5170 720.5170 None 0.198 0.988
document_5225 744.5470 744.5470 None 0.197 0.975
document_5205 744.4430 744.4430 None 0.196 0.986
document_4320 692.5180 692.5180 None 0.196 0.986
document_4789 718.5320 718.5320 None 0.195 0.973
document_4207 690.4010 690.4010 None 0.194 0.970
document_1400 454.3250 454.3250 None 0.194 0.983
document_4926 730.4440 730.4440 None 0.194 0.986
document_4257 690.4330 690.4330 None 0.194 0.986
document_5180 744.4430 744.4430 None 0.193 0.990
document_4506 704.4150 704.4150 None 0.191 0.975
document_4242 690.4290 690.4290 None 0.191 0.978
document_4694 716.4510 716.4510 None 0.191 0.988
document_3882 664.4900 664.4900 None 0.190 0.996
document_5304 758.5620 758.5620 None 0.190 0.965
document_4313 692.5170 692.5170 None 0.189 0.989
document_4978 732.5470 732.5470 None 0.189 0.990
document_5181 744.4430 744.4430 None 0.189 0.970
document_4729 716.4160 716.4160 None 0.189 0.970
document_4524 704.4150 704.4150 None 0.188 0.977
document_5193 744.4430 744.4430 None 0.188 0.986
document_5199 744.4430 744.4430 None 0.188 0.992
document_4267 690.4560 690.4560 None 0.188 0.970
document_4791 718.5320 718.5320 None 0.188 0.977
document_4950 730.5330 730.5330 None 0.186 0.992
document_4772 718.4300 718.4300 None 0.186 0.977
document_5207 744.4430 744.4430 None 0.186 0.988
document_5226 744.5470 744.5470 None 0.185 0.990
document_4513 704.4150 704.4150 None 0.185 0.975
document_4813 718.5320 718.5320 None 0.184 0.990
document_4975 732.5470 732.5470 None 0.183 0.990
document_5203 744.4430 744.4430 None 0.183 0.975
document_4675 716.4260 716.4260 None 0.183 0.986
document_4256 690.4020 690.4020 None 0.183 0.970
document_5201 744.4430 744.4430 None 0.182 0.986
document_4515 704.4150 704.4150 None 0.182 0.973
document_4527 704.4150 704.4150 None 0.181 0.973
document_5195 744.4430 744.4430 None 0.180 0.973
document_4709 716.4150 716.4150 None 0.180 0.973
document_5216 744.5470 744.5470 None 0.180 0.975
document_5197 744.4430 744.4430 None 0.179 0.990
document_4798 718.5330 718.5330 None 0.179 0.974
document_4508 704.4150 704.4150 None 0.179 0.970
document_5224 744.5470 744.5470 None 0.179 0.972
document_5209 744.4430 744.4430 None 0.179 0.986
document_4510 704.4150 704.4150 None 0.179 0.973
document_4774 718.4300 718.4300 None 0.179 0.975
document_5220 744.5470 744.5470 None 0.178 0.970
document_4945 730.5330 730.5330 None 0.177 0.970
document_5221 744.5470 744.5470 None 0.177 0.990
document_4688 716.4150 716.4150 None 0.177 0.970
document_4275 690.5060 690.5060 None 0.176 0.969
document_4771 718.4300 718.4300 None 0.176 0.970
document_4724 716.4160 716.4160 None 0.176 0.973
document_4979 732.5470 732.5470 None 0.175 0.968
document_4336 694.5010 694.5010 1,2-dipalmitoyl-sn-glycero-3-phosphoethanolamine 0.175 0.975
document_1241 442.2540 442.2540 None 0.175 0.975
document_3879 664.4920 664.4920 None 0.174 0.978
document_5223 744.5470 744.5470 None 0.174 0.975
document_4720 716.4150 716.4150 None 0.173 0.973
document_4578 708.5160 708.5160 None 0.173 0.990
document_4684 716.4140 716.4140 None 0.172 0.970
document_5204 744.4430 744.4430 None 0.172 0.992
document_4522 704.4150 704.4150 None 0.172 0.973
document_4266 690.4520 690.4520 None 0.172 0.961
document_4276 690.5060 690.5060 None 0.171 0.970
document_5189 744.4430 744.4430 None 0.170 0.977
document_4519 704.4150 704.4150 None 0.170 0.970
document_4029 678.5060 678.5060 None 0.170 0.992
document_4671 716.4150 716.4150 None 0.168 0.988
document_4073 680.4860 680.4860 None 0.167 0.990
document_4735 716.4160 716.4160 None 0.167 0.970
document_4278 690.5070 690.5070 None 0.166 0.986
document_4680 716.4150 716.4150 None 0.165 0.988
document_4985 732.5470 732.5470 None 0.165 0.977
document_4714 716.4500 716.4500 None 0.164 0.986
document_4526 704.4150 704.4150 None 0.163 0.970
document_3972 676.4560 676.4560 None 0.161 0.981
document_4205 690.4010 690.4010 None 0.161 0.970
document_4683 716.4150 716.4150 None 0.159 0.988
document_4235 690.4480 690.4480 None 0.159 0.988
document_4261 690.4420 690.4420 None 0.158 0.970
document_4725 716.4400 716.4400 None 0.158 0.970
document_4240 690.4010 690.4010 None 0.158 0.986
document_4221 690.4010 690.4010 None 0.157 0.970
document_4263 690.4020 690.4020 None 0.156 0.973
document_4214 690.4010 690.4010 None 0.156 0.986
document_5190 744.4430 744.4430 None 0.155 0.977
document_4255 690.4020 690.4020 None 0.154 0.986
document_4005 678.4840 678.4840 None 0.154 0.970
document_4247 690.4260 690.4260 None 0.153 0.977
document_3975 676.4660 676.4660 None 0.152 0.961
document_4764 718.4290 718.4290 None 0.152 0.986
document_4817 718.5320 718.5320 None 0.152 0.975
document_3547 636.4050 636.4050 None 0.151 0.977
document_4723 716.4160 716.4160 None 0.151 0.986
document_4392 702.4100 702.4100 None 0.151 0.990
document_4686 716.4150 716.4150 None 0.150 0.990
document_3870 664.4010 664.4010 None 0.149 0.976
document_3718 644.4630 644.4630 None 0.149 0.970
document_4236 690.4010 690.4010 None 0.149 0.990
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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.