Mass2Motif: motif_55

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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 0.9947328446207488. 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_95.0500 0.859
fragment_69.0500 0.127
fragment_67.0500 0.007
fragment_165.1500 0.002

Counts of Classyfire Substituent terms

Term name Count in motif Percentage in motif Percentage in experiment Absolute difference
Hydrocarbon derivative 339 100 100 0
Organooxygen compound 317 93.5 95.3 1.8
Carbonyl group 119 35.1 44.0 8.9
Alcohol 69 20.4 14.7 5.7
Organic nitrogen compound 65 19.2 55.6 36.5
Organonitrogen compound 57 16.8 54.1 37.3
Aliphatic acyclic compound 46 13.6 2.9 10.6
Organopnictogen compound 40 11.8 45.2 33.4
Secondary alcohol 26 7.7 7.7 0.0
Organoheterocyclic compound 19 5.6 13.3 7.7
Oxacycle 16 4.7 7.9 3.2
Aromatic heteropolycyclic compound 11 3.2 9.6 6.4
Heteroaromatic compound 9 2.7 5.8 3.1
Benzenoid 8 2.4 18.3 16.0
Azacycle 8 2.4 22.6 20.3
Oxane 4 1.2 1.9 0.7
Carboxylic acid ester 3 0.9 1.8 0.9
O-glycosyl compound 2 0.6 1.2 0.6
Polyol 2 0.6 1.6 1.0
Acetal 2 0.6 1.5 0.9
Glycosyl compound 2 0.6 0.7 0.2
Primary alcohol 1 0.3 0.9 0.6

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_1396 452.4250 452.4250 None 0.390 0.986
document_3438 622.2170 622.2170 None 0.377 0.973
document_2568 537.4880 537.4880 None 0.373 0.986
document_3589 638.1450 638.1450 None 0.342 0.862
document_4702 716.4150 716.4150 None 0.337 0.994
document_4848 722.4910 722.4910 None 0.322 0.986
document_4177 689.1730 689.1730 None 0.318 0.989
document_5206 744.4430 744.4430 None 0.306 0.866
document_4168 689.8060 689.8060 None 0.294 0.972
document_4205 690.4010 690.4010 None 0.280 0.993
document_3973 676.4120 676.4120 None 0.280 0.866
document_4264 690.4020 690.4020 None 0.271 0.859
document_1394 452.4250 452.4250 None 0.268 0.985
document_4518 704.4150 704.4150 None 0.260 0.986
document_4711 716.4770 716.4770 None 0.254 0.866
document_4835 720.6570 720.6570 None 0.252 0.985
document_2429 523.4710 523.4710 None 0.247 0.857
document_4670 716.8370 716.8370 None 0.247 0.972
document_4770 718.4290 718.4290 None 0.246 0.985
document_3430 622.0210 622.0210 None 0.237 0.856
document_4280 690.5070 690.5070 None 0.235 0.989
document_5081 739.5610 739.5610 None 0.233 0.987
document_4731 716.4160 716.4160 None 0.232 0.985
document_2713 551.5040 551.5040 None 0.230 0.861
document_1362 449.3240 449.3240 None 0.228 0.979
document_4505 704.4150 704.4150 None 0.227 0.859
document_4231 690.4010 690.4010 None 0.226 0.993
document_3007 579.5350 579.5350 None 0.225 0.859
document_3607 638.1570 638.1570 None 0.223 0.864
document_2570 537.4880 537.4880 None 0.220 0.988
document_4509 704.4870 704.4870 None 0.220 0.986
document_234 411.2430 411.2430 None 0.219 0.863
document_4732 716.4680 716.4680 None 0.216 0.859
document_2574 537.4880 537.4880 None 0.212 0.985
document_4203 690.4560 690.4560 None 0.212 0.858
document_4530 704.5210 704.5210 None 0.210 0.992
document_3157 595.3390 595.3390 None 0.204 0.856
document_4326 692.5210 692.5210 None 0.203 0.993
document_4531 705.5430 705.5430 None 0.200 0.859
document_4298 692.4160 692.4160 None 0.200 0.865
document_2201 503.8670 503.8670 None 0.195 0.977
document_4520 704.4700 704.4700 None 0.192 0.984
document_5193 744.4430 744.4430 None 0.191 0.985
document_75 401.2590 401.2590 Massbank:FFF00078 Stigmastanol 0.191 0.857
document_3805 656.2580 656.2580 Rifamycin W 0.188 0.858
document_4142 685.7460 685.7460 None 0.187 0.985
document_4301 692.4980 692.4980 None 0.185 0.854
document_4512 704.4150 704.4150 None 0.184 0.988
document_89 401.2860 401.2860 Massbank:FFF00098 24-Ethylcoprostanol 0.182 0.977
document_5112 740.4100 740.4100 None 0.180 0.860
document_222 409.3820 409.3820 None 0.177 0.859
document_3287 607.5660 607.5660 None 0.176 0.859
document_4517 705.0320 705.0320 None 0.176 0.980
document_4715 716.4610 716.4610 None 0.174 0.857
document_5205 744.4430 744.4430 None 0.172 0.986
document_5134 740.4760 740.4760 None 0.172 0.848
document_1068 433.2910 433.2910 None 0.172 0.858
document_4703 716.4150 716.4150 None 0.170 0.984
document_5208 744.4430 744.4430 None 0.168 0.975
document_4523 704.4150 704.4150 None 0.167 0.866
document_5010 734.3820 734.3820 None 0.165 0.979
document_4773 718.4300 718.4300 None 0.163 0.985
document_5585 819.4990 819.4990 None 0.163 0.984
document_5067 738.3950 738.3950 None 0.161 0.986
document_4717 716.4150 716.4150 None 0.161 0.866
document_3008 579.5350 579.5350 None 0.159 0.859
document_3182 595.3810 595.3810 None 0.159 0.859
document_4522 704.4150 704.4150 None 0.158 0.986
document_4256 690.4020 690.4020 None 0.157 0.993
document_4837 720.5530 720.5530 None 0.155 0.984
document_2681 551.3710 551.3710 None 0.150 0.859
document_3860 664.3420 664.3420 None 0.150 0.991
document_5201 744.4430 744.4430 None 0.150 0.992
document_4708 716.4150 716.4150 None 0.147 0.992
document_4263 690.4020 690.4020 None 0.147 0.866
document_4692 716.4150 716.4150 None 0.147 0.985
document_4071 680.4260 680.4260 None 0.147 0.860
document_4228 690.4010 690.4010 None 0.146 0.853
document_4526 704.4150 704.4150 None 0.146 0.986
document_4092 685.8220 685.8220 None 0.146 0.986
document_345 413.2570 413.2570 None 0.141 0.859
document_4253 690.4020 690.4020 None 0.141 0.977
document_2673 549.1720 549.1720 None 0.141 0.859
document_4516 704.4150 704.4150 None 0.141 0.984
document_4780 718.4290 718.4290 None 0.141 0.866
document_3850 663.2920 663.2920 None 0.140 0.986
document_4719 716.4150 716.4150 None 0.139 0.986
document_4735 716.4160 716.4160 None 0.138 0.973
document_4884 726.3950 726.3950 None 0.138 0.866
document_4725 716.4400 716.4400 None 0.138 0.993
document_4519 704.4150 704.4150 None 0.138 0.992
document_4506 704.4150 704.4150 None 0.135 0.985
document_4668 716.4140 716.4140 None 0.134 0.982
document_4766 718.4560 718.4560 None 0.134 0.992
document_5117 740.4640 740.4640 None 0.134 0.866
document_361 413.5450 413.5450 None 0.133 0.859
document_4786 718.4770 718.4770 None 0.133 0.985
document_4677 716.4320 716.4320 None 0.131 0.988
document_3715 644.4630 644.4630 None 0.131 0.857
document_4771 718.4300 718.4300 None 0.129 0.993
document_2569 537.4880 537.4880 None 0.129 0.854
document_4824 718.5370 718.5370 None 0.126 0.866
document_2572 537.4880 537.4880 None 0.126 0.858
document_4699 716.4150 716.4150 None 0.126 0.992
document_4232 690.4010 690.4010 None 0.126 0.866
document_4204 690.4010 690.4010 None 0.124 0.859
document_3677 639.4080 639.4080 None 0.123 0.859
document_3613 638.2600 638.2600 None 0.123 0.859
document_4684 716.4140 716.4140 None 0.123 0.993
document_2235 506.5280 506.5280 None 0.122 0.985
document_5174 744.4380 744.4380 None 0.121 0.983
document_3608 638.2090 638.2090 None 0.121 0.851
document_4782 718.4460 718.4460 None 0.119 0.859
document_5199 744.4430 744.4430 None 0.118 0.988
document_3163 595.3480 595.3480 None 0.117 0.859
document_4261 690.4420 690.4420 None 0.116 0.993
document_3610 638.2610 638.2610 None 0.115 0.984
document_4214 690.4010 690.4010 None 0.115 0.985
document_4686 716.4150 716.4150 None 0.115 0.985
document_5593 819.5000 819.5000 None 0.114 0.859
document_4723 716.4160 716.4160 None 0.114 0.992
document_4221 690.4010 690.4010 None 0.113 0.866
document_4690 716.4150 716.4150 None 0.113 0.979
document_4589 711.5790 711.5790 None 0.113 0.987
document_4355 696.1880 696.1880 None 0.113 0.856
document_4687 716.4150 716.4150 None 0.112 0.984
document_4701 716.4430 716.4430 None 0.112 0.855
document_1554 463.2450 463.2450 None 0.112 0.866
document_4710 716.4570 716.4570 None 0.112 0.991
document_4716 716.4150 716.4150 None 0.111 0.983
document_4507 704.4150 704.4150 None 0.111 0.994
document_4778 718.4290 718.4290 None 0.111 0.866
document_5188 744.4430 744.4430 None 0.110 0.985
document_1636 467.3050 467.3050 None 0.110 0.986
document_4554 706.3970 706.3970 None 0.110 0.979
document_4774 718.4300 718.4300 None 0.110 0.985
document_4838 720.5540 720.5540 None 0.110 0.985
document_3164 595.3660 595.3660 None 0.109 0.859
document_4676 716.4310 716.4310 None 0.109 0.991
document_4259 690.4450 690.4450 None 0.109 0.986
document_159 405.2930 405.2930 None 0.107 0.856
document_4222 690.4020 690.4020 None 0.107 0.859
document_1773 477.2610 477.2610 None 0.106 0.981
document_4230 690.4010 690.4010 None 0.106 0.851
document_4234 690.4020 690.4020 None 0.106 0.983
document_4779 718.4300 718.4300 None 0.106 0.984
document_4683 716.4150 716.4150 None 0.106 0.992
document_5071 738.3960 738.3960 None 0.106 0.985
document_2092 498.8960 498.8960 None 0.106 0.859
document_3964 676.2690 676.2690 None 0.106 0.977
document_3972 676.4560 676.4560 None 0.106 0.984
document_3858 664.3400 664.3400 None 0.105 0.859
document_5181 744.4430 744.4430 None 0.105 0.994
document_3823 658.3930 658.3930 None 0.104 0.991
document_4674 716.4150 716.4150 None 0.103 0.992
document_5085 738.3950 738.3950 None 0.103 0.985
document_4245 690.4020 690.4020 None 0.103 0.984
document_4210 690.4010 690.4010 None 0.102 0.984
document_4208 690.4010 690.4010 None 0.102 0.852
document_5164 740.5190 740.5190 None 0.102 0.858
document_5088 738.4170 738.4170 None 0.102 0.985
document_5180 744.4430 744.4430 None 0.101 0.984
document_5184 744.4430 744.4430 None 0.101 0.857
document_5198 744.4430 744.4430 None 0.101 0.976
document_4218 690.4010 690.4010 None 0.101 0.851
document_4513 704.4150 704.4150 None 0.101 0.865
document_4165 688.7960 688.7960 None 0.100 0.993
document_1461 458.9730 458.9730 None 0.100 0.852
document_5200 744.4430 744.4430 None 0.100 0.979
document_4508 704.4150 704.4150 None 0.100 0.986
document_5187 744.4520 744.4520 None 0.100 0.985
document_4777 718.4300 718.4300 None 0.100 0.986
document_5189 744.4430 744.4430 None 0.099 0.977
document_4747 716.5220 716.5220 None 0.099 0.984
document_4666 716.4140 716.4140 None 0.099 0.986
document_4247 690.4260 690.4260 None 0.099 0.980
document_3186 595.3810 595.3810 None 0.098 0.859
document_4926 730.4440 730.4440 None 0.098 0.992
document_4178 690.3150 690.3150 None 0.098 0.992
document_5108 740.4560 740.4560 None 0.097 0.978
document_3432 621.9570 621.9570 None 0.097 0.986
document_4759 718.4300 718.4300 None 0.096 0.855
document_4067 680.2700 680.2700 None 0.096 0.856
document_4688 716.4150 716.4150 None 0.095 0.995
document_5109 740.4330 740.4330 None 0.095 0.984
document_2571 537.4870 537.4870 None 0.095 0.853
document_4255 690.4020 690.4020 None 0.095 0.866
document_4249 690.4640 690.4640 None 0.095 0.866
document_4685 716.4150 716.4150 None 0.095 0.979
document_4706 716.4150 716.4150 None 0.094 0.857
document_339 413.2460 413.2460 None 0.094 0.859
document_4181 689.6100 689.6100 None 0.093 0.985
document_4276 690.5060 690.5060 None 0.093 0.983
document_5119 740.4100 740.4100 None 0.093 0.866
document_4213 690.4010 690.4010 None 0.093 0.857
document_5750 902.3390 902.3390 None 0.093 0.851
document_4698 716.4150 716.4150 None 0.092 0.985
document_4734 716.4700 716.4700 None 0.091 0.992
document_5182 744.4480 744.4480 None 0.091 0.861
document_5452 783.2040 783.2040 None 0.091 0.852
document_4528 704.4150 704.4150 None 0.090 0.866
document_4246 690.4320 690.4320 None 0.090 0.992
document_4839 720.5540 720.5540 None 0.090 0.865
document_5577 819.5000 819.5000 None 0.090 0.865
document_5069 738.4120 738.4120 None 0.090 0.855
document_5582 819.5000 819.5000 None 0.090 0.985
document_4967 732.4060 732.4060 None 0.090 0.862
document_4308 692.5180 692.5180 None 0.089 0.859
document_4623 712.4340 712.4340 None 0.089 0.983
document_4991 734.3870 734.3870 None 0.089 0.986
document_5124 740.4430 740.4430 None 0.088 0.859
document_4319 692.5180 692.5180 None 0.088 0.972
document_2291 510.3740 510.3740 None 0.087 0.985
document_4721 716.4150 716.4150 None 0.087 0.985
document_4689 716.4150 716.4150 None 0.086 0.993
document_4930 730.4840 730.4840 None 0.086 0.859
document_3870 664.4010 664.4010 None 0.085 0.862
document_1393 452.4240 452.4240 None 0.084 0.982
document_5204 744.4430 744.4430 None 0.084 0.980
document_4733 716.4340 716.4340 None 0.084 0.860
document_1299 443.3310 443.3310 None 0.084 0.859
document_5037 738.5770 738.5770 None 0.084 0.977
document_4714 716.4500 716.4500 None 0.084 0.993
document_2241 506.5280 506.5280 None 0.084 0.986
document_5044 738.3950 738.3950 None 0.083 0.859
document_2744 555.2920 555.2920 None 0.083 0.858
document_2575 537.4890 537.4890 None 0.083 0.859
document_5207 744.4430 744.4430 None 0.082 0.859
document_3614 638.2680 638.2680 None 0.082 0.859
document_3925 670.2730 670.2730 Lomaiviticin C 0.082 0.992
document_4267 690.4560 690.4560 None 0.081 0.986
document_4305 692.4740 692.4740 None 0.081 0.859
document_5202 744.5050 744.5050 None 0.081 0.991
document_4822 718.5340 718.5340 None 0.081 0.983
document_5091 738.3960 738.3960 None 0.081 0.985
document_5183 744.4440 744.4440 None 0.080 0.990
document_3547 636.4050 636.4050 None 0.080 0.858
document_4258 690.4350 690.4350 None 0.080 0.984
document_4997 734.4320 734.4320 None 0.079 0.859
document_4525 704.4150 704.4150 None 0.079 0.859
document_4672 716.4150 716.4150 None 0.079 0.982
document_4175 689.7530 689.7530 None 0.079 0.992
document_5076 738.4330 738.4330 None 0.079 0.859
document_4772 718.4300 718.4300 None 0.079 0.856
document_4763 718.4290 718.4290 None 0.078 0.982
document_4488 703.3840 703.3840 None 0.078 0.986
document_4239 690.4010 690.4010 None 0.078 0.857
document_4709 716.4150 716.4150 None 0.078 0.987
document_4594 712.3760 712.3760 None 0.077 0.978
document_5209 744.4430 744.4430 None 0.077 0.985
document_4783 718.4800 718.4800 None 0.077 0.985
document_5203 744.4430 744.4430 None 0.077 0.990
document_5013 734.3870 734.3870 None 0.076 0.985
document_4673 716.4480 716.4480 None 0.076 0.865
document_4760 718.4590 718.4590 None 0.076 0.970
document_4233 690.4080 690.4080 None 0.076 0.983
document_4266 690.4520 690.4520 None 0.076 0.986
document_4865 724.3240 724.3240 None 0.076 0.992
document_203 409.5200 409.5200 None 0.075 0.983
document_5077 738.4280 738.4280 None 0.075 0.859
document_2825 563.5490 563.5490 None 0.075 0.855
document_4768 718.4290 718.4290 None 0.075 0.853
document_4727 716.4160 716.4160 None 0.075 0.991
document_4248 690.4020 690.4020 None 0.075 0.983
document_3661 639.4070 639.4070 None 0.075 0.859
document_4515 704.4150 704.4150 None 0.074 0.985
document_4966 733.2420 733.2420 None 0.074 0.851
document_4392 702.4100 702.4100 None 0.074 0.990
document_4927 730.4530 730.4530 None 0.074 0.980
document_4257 690.4330 690.4330 None 0.073 0.986
document_5055 738.3950 738.3950 None 0.073 0.851
document_5195 744.4430 744.4430 None 0.073 0.985
document_5115 740.4100 740.4100 None 0.073 0.992
document_1842 483.2040 483.2040 None 0.073 0.979
document_4678 716.4250 716.4250 None 0.072 0.992
document_4169 690.2770 690.2770 None 0.072 0.986
document_4671 716.4150 716.4150 None 0.071 0.985
document_5079 738.3950 738.3950 None 0.071 0.859
document_4605 712.4060 712.4060 None 0.070 0.992
document_5353 767.2130 767.2130 None 0.070 0.855
document_2240 506.5860 506.5860 None 0.069 0.859
document_4275 690.5060 690.5060 None 0.069 0.989
document_4369 698.4390 698.4390 None 0.069 0.858
document_4707 716.4150 716.4150 None 0.069 0.990
document_4882 726.5540 726.5540 None 0.069 0.992
document_3670 639.4080 639.4080 None 0.069 0.859
document_4603 712.3600 712.3600 None 0.068 0.984
document_3595 636.4180 636.4180 None 0.068 0.849
document_4527 704.4150 704.4150 None 0.068 0.859
document_232 411.1490 411.1490 None 0.068 0.859
document_5190 744.4430 744.4430 None 0.068 0.990
document_4250 690.4750 690.4750 None 0.068 0.985
document_5110 740.4400 740.4400 None 0.067 0.991
document_2728 554.1510 554.1510 None 0.067 0.859
document_2997 577.4820 577.4820 None 0.067 0.858
document_3785 652.1740 652.1740 None 0.067 0.854
document_4333 694.2650 694.2650 None 0.066 0.985
document_4511 704.4740 704.4740 None 0.066 0.852
document_5121 740.4420 740.4420 None 0.066 0.983
document_4874 726.4010 726.4010 None 0.065 0.985
document_5197 744.4430 744.4430 None 0.063 0.983
document_4128 685.7380 685.7380 None 0.063 0.986
document_5252 752.4090 752.4090 None 0.062 0.866
document_5107 740.4220 740.4220 None 0.062 0.858
document_3612 638.2590 638.2590 None 0.061 0.859
document_5058 738.3950 738.3950 None 0.061 0.861
document_2238 506.5270 506.5270 None 0.061 0.859
document_4713 716.4150 716.4150 None 0.060 0.986
document_5004 734.4020 734.4020 None 0.060 0.986
document_4596 712.1900 712.1900 None 0.060 0.985
document_4617 712.4290 712.4290 None 0.060 0.984
document_5033 738.3000 738.3000 None 0.060 0.985
document_5132 740.4820 740.4820 None 0.059 0.859
document_2644 547.0900 547.0900 None 0.059 0.863
document_3597 636.4190 636.4190 None 0.056 0.850
document_4775 718.4600 718.4600 None 0.056 0.858
document_3290 608.2930 608.2930 None 0.056 0.858
document_4291 691.4180 691.4180 None 0.055 0.859
document_3871 664.4790 664.4790 None 0.055 0.986
document_435 419.0380 419.0380 None 0.054 0.859
document_4758 718.5070 718.5070 None 0.054 0.866
document_4607 712.4100 712.4100 None 0.054 0.984
document_4260 690.4300 690.4300 None 0.054 0.983
document_4229 690.4010 690.4010 None 0.053 0.989
document_4403 702.6810 702.6810 None 0.053 0.854
document_2004 495.2690 495.2690 None 0.053 0.856
document_1177 440.2770 440.2770 None 0.052 0.982
document_1623 467.1460 467.1460 None 0.052 0.859
document_5824 959.5150 959.5150 None 0.052 0.853
document_5185 744.4430 744.4430 None 0.052 0.985
document_3851 664.3170 664.3170 None 0.052 0.858
document_4309 692.5170 692.5170 None 0.052 0.859
document_1382 451.4220 451.4220 None 0.052 0.855
document_5056 738.3950 738.3950 None 0.052 0.975
document_4693 716.4150 716.4150 None 0.051 0.979
document_5001 734.4040 734.4040 None 0.051 0.992
document_3659 639.4070 639.4070 None 0.051 0.859
document_4478 703.4980 703.4980 None 0.050 0.979
document_1250 443.2210 443.2210 None 0.050 0.859

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.