Mass2Motif: motif_26

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 0.9867327786845347. 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_140.0500 0.632
loss_141.0500 0.278
fragment_325.2500 0.020
fragment_567.5500 0.019
fragment_62.0500 0.008
fragment_109.0500 0.005
fragment_568.5500 0.005
fragment_83.0500 0.005
fragment_326.2500 0.005
fragment_332.2500 0.002
fragment_256.3500 0.002
fragment_95.0500 0.002
fragment_569.4500 0.002
fragment_315.2500 0.001
loss_138.9500 0.001

Counts of Classyfire Substituent terms

Term name Count in motif Percentage in motif Percentage in experiment Absolute difference
Hydrocarbon derivative 293 100 100 0
Organooxygen compound 264 90.1 95.3 5.2
Carbonyl group 95 32.4 44.0 11.6
Organic nitrogen compound 84 28.7 55.6 27.0
Organonitrogen compound 82 28.0 54.1 26.1
Organopnictogen compound 71 24.2 45.2 21.0
Alcohol 68 23.2 14.7 8.6
Secondary alcohol 37 12.6 7.7 4.9
Aliphatic acyclic compound 27 9.2 2.9 6.3
Organoheterocyclic compound 22 7.5 13.3 5.8
Oxacycle 14 4.8 7.9 3.1
Azacycle 10 3.4 22.6 19.2
Oxane 8 2.7 1.9 0.8
Polyol 6 2.0 1.6 0.5
Benzenoid 5 1.7 18.3 16.6
O-glycosyl compound 5 1.7 1.2 0.5
Heteroaromatic compound 5 1.7 5.8 4.0
Acetal 4 1.4 1.5 0.1
Aromatic heteropolycyclic compound 4 1.4 9.6 8.3
Glycosyl compound 2 0.7 0.7 0.1
Monosaccharide 1 0.3 0.1 0.3
1-hydroxy-2-unsubstituted benzenoid 1 0.3 1.3 0.9
1-hydroxy-4-unsubstituted benzenoid 1 0.3 0.2 0.1
Carboxylic acid ester 1 0.3 1.8 1.5

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_4577 708.5160 708.5160 None 0.856 0.939
document_1615 466.2900 466.2900 None 0.841 0.305
document_1614 466.2890 466.2890 None 0.837 0.948
document_4570 708.5160 708.5160 None 0.832 0.939
document_1616 466.2910 466.2910 None 0.819 0.945
document_1613 466.2900 466.2900 None 0.797 0.945
document_4575 708.5160 708.5160 None 0.471 0.937
document_4576 708.5160 708.5160 None 0.446 0.928
document_4581 708.5160 708.5160 None 0.336 0.939
document_4219 690.4500 690.4500 None 0.319 0.917
document_4311 692.5170 692.5170 None 0.305 0.915
document_4578 708.5160 708.5160 None 0.297 0.941
document_4945 730.5330 730.5330 None 0.275 0.926
document_4813 718.5320 718.5320 None 0.269 0.920
document_3597 636.4190 636.4190 None 0.268 0.911
document_4316 692.5170 692.5170 None 0.258 0.909
document_4810 718.5320 718.5320 None 0.256 0.912
document_4072 680.4860 680.4860 None 0.254 0.915
document_4073 680.4860 680.4860 None 0.252 0.914
document_4511 704.4740 704.4740 None 0.251 0.915
document_4789 718.5320 718.5320 None 0.246 0.906
document_4336 694.5010 694.5010 1,2-dipalmitoyl-sn-glycero-3-phosphoethanolamine 0.244 0.910
document_4317 692.5170 692.5170 None 0.241 0.909
document_4978 732.5470 732.5470 None 0.241 0.912
document_4975 732.5470 732.5470 None 0.240 0.914
document_4798 718.5330 718.5330 None 0.239 0.908
document_4322 692.5170 692.5170 None 0.237 0.910
document_4313 692.5170 692.5170 None 0.231 0.916
document_4759 718.4300 718.4300 None 0.229 0.912
document_4817 718.5320 718.5320 None 0.229 0.907
document_4985 732.5470 732.5470 None 0.229 0.922
document_4582 708.5160 708.5160 None 0.229 0.935
document_4319 692.5180 692.5180 None 0.220 0.906
document_4573 708.5160 708.5160 None 0.219 0.935
document_4979 732.5470 732.5470 None 0.218 0.913
document_4804 718.5320 718.5320 None 0.217 0.906
document_4315 692.5170 692.5170 None 0.216 0.910
document_5296 758.5620 758.5620 None 0.212 0.905
document_4949 730.5330 730.5330 None 0.210 0.910
document_4076 680.4870 680.4870 None 0.209 0.915
document_4579 708.5160 708.5160 None 0.207 0.911
document_4314 692.5170 692.5170 None 0.207 0.908
document_5299 758.5620 758.5620 None 0.205 0.916
document_4306 692.5170 692.5170 None 0.204 0.906
document_4808 718.5320 718.5320 None 0.204 0.910
document_4819 718.5340 718.5340 None 0.203 0.907
document_4799 718.5320 718.5320 None 0.203 0.907
document_4791 718.5320 718.5320 None 0.201 0.913
document_4339 694.5010 694.5010 1,2-dipalmitoyl-sn-glycero-3-phosphoethanolamine 0.201 0.913
document_4384 700.4870 700.4870 None 0.200 0.910
document_5304 758.5620 758.5620 None 0.198 0.903
document_4538 705.3980 705.3980 None 0.198 0.026
document_5297 758.5620 758.5620 None 0.198 0.913
document_5298 758.5620 758.5620 None 0.194 0.916
document_4802 718.5320 718.5320 None 0.192 0.913
document_4795 718.5320 718.5320 None 0.192 0.912
document_3594 636.4180 636.4180 None 0.191 0.908
document_4792 718.5330 718.5330 None 0.191 0.905
document_4951 730.5330 730.5330 None 0.189 0.906
document_4811 718.5320 718.5320 None 0.188 0.912
document_4265 690.4660 690.4660 None 0.187 0.911
document_4312 692.5170 692.5170 None 0.187 0.906
document_4340 694.5010 694.5010 None 0.185 0.911
document_4948 730.5330 730.5330 None 0.185 0.904
document_4696 716.4150 716.4150 None 0.184 0.913
document_4318 692.5170 692.5170 None 0.183 0.905
document_4307 692.5170 692.5170 None 0.183 0.904
document_5226 744.5470 744.5470 None 0.181 0.913
document_4976 732.5470 732.5470 None 0.181 0.912
document_4964 732.5690 732.5690 None 0.180 0.917
document_4345 694.5010 694.5010 None 0.179 0.911
document_4812 718.5320 718.5320 None 0.179 0.913
document_4950 730.5330 730.5330 None 0.179 0.916
document_5223 744.5470 744.5470 None 0.178 0.908
document_4029 678.5060 678.5060 None 0.178 0.918
document_5222 744.5480 744.5480 None 0.178 0.910
document_4797 718.5320 718.5320 None 0.178 0.906
document_5303 758.5630 758.5630 None 0.178 0.924
document_5295 758.5620 758.5620 None 0.178 0.909
document_4807 718.5320 718.5320 None 0.178 0.912
document_4980 732.5470 732.5470 None 0.178 0.906
document_4329 692.5230 692.5230 None 0.177 0.904
document_4984 732.5470 732.5470 None 0.176 0.909
document_5221 744.5470 744.5470 None 0.176 0.911
document_4234 690.4020 690.4020 None 0.176 0.910
document_4820 718.5320 718.5320 None 0.175 0.905
document_4947 730.5330 730.5330 None 0.174 0.904
document_4765 718.5180 718.5180 None 0.173 0.910
document_4990 732.5470 732.5470 None 0.172 0.905
document_4982 732.5470 732.5470 None 0.172 0.905
document_4327 692.5240 692.5240 None 0.172 0.910
document_4790 718.5320 718.5320 None 0.171 0.911
document_4693 716.4150 716.4150 None 0.171 0.921
document_5215 744.5480 744.5480 None 0.170 0.907
document_4478 703.4980 703.4980 None 0.170 0.635
document_4987 732.5470 732.5470 None 0.169 0.912
document_1650 468.3060 468.3060 None 0.169 0.930
document_4330 692.5230 692.5230 None 0.169 0.910
document_4347 694.5010 694.5010 None 0.169 0.910
document_4323 692.5170 692.5170 None 0.168 0.907
document_4697 716.4150 716.4150 None 0.168 0.910
document_4077 680.4860 680.4860 None 0.167 0.915
document_4395 702.4010 702.4010 None 0.167 0.914
document_5198 744.4430 744.4430 None 0.166 0.915
document_4974 732.5470 732.5470 None 0.166 0.906
document_4010 678.5060 678.5060 None 0.166 0.917
document_4788 718.5320 718.5320 None 0.166 0.909
document_4803 718.5320 718.5320 None 0.165 0.910
document_4952 730.5330 730.5330 None 0.165 0.904
document_4310 692.5170 692.5170 None 0.164 0.916
document_4793 718.5330 718.5330 None 0.163 0.904
document_4989 732.5470 732.5470 None 0.163 0.903
document_4260 690.4300 690.4300 None 0.162 0.914
document_5224 744.5470 744.5470 None 0.160 0.905
document_4337 694.5010 694.5010 None 0.159 0.915
document_4328 692.5240 692.5240 None 0.159 0.905
document_4341 694.5010 694.5010 1,2-dipalmitoyl-sn-glycero-3-phosphoethanolamine 0.158 0.905
document_4800 718.5320 718.5320 None 0.158 0.910
document_5200 744.4430 744.4430 None 0.157 0.914
document_4983 732.5470 732.5470 None 0.156 0.909
document_4672 716.4150 716.4150 None 0.156 0.915
document_5346 766.5290 766.5290 None 0.156 0.911
document_4942 730.5320 730.5320 None 0.155 0.935
document_4331 692.5240 692.5240 None 0.155 0.910
document_1647 468.3090 468.3090 None 0.154 0.910
document_4189 689.4490 689.4490 None 0.154 0.637
document_4716 716.4150 716.4150 None 0.153 0.910
document_5294 758.5620 758.5620 None 0.152 0.911
document_4768 718.4290 718.4290 None 0.152 0.915
document_4943 730.5330 730.5330 None 0.151 0.915
document_4248 690.4020 690.4020 None 0.149 0.909
document_3715 644.4630 644.4630 None 0.148 0.907
document_4338 694.5000 694.5000 None 0.148 0.903
document_4028 678.5060 678.5060 None 0.148 0.916
document_3396 616.4320 616.4320 None 0.148 0.912
document_4504 704.4870 704.4870 None 0.147 0.920
document_4074 680.4860 680.4860 None 0.146 0.918
document_4763 718.4290 718.4290 None 0.146 0.913
document_4941 730.5330 730.5330 None 0.144 0.908
document_5183 744.4440 744.4440 None 0.143 0.913
document_5218 744.5470 744.5470 None 0.140 0.912
document_1649 468.3070 468.3070 None 0.139 0.917
document_1445 456.2700 456.2700 None 0.138 0.916
document_4796 718.5320 718.5320 None 0.138 0.908
document_4226 690.4350 690.4350 None 0.138 0.905
document_4262 690.4600 690.4600 None 0.134 0.914
document_4342 694.5010 694.5010 1,2-dipalmitoyl-sn-glycero-3-phosphoethanolamine 0.134 0.916
document_4981 732.5470 732.5470 None 0.133 0.911
document_5184 744.4430 744.4430 None 0.133 0.910
document_5216 744.5470 744.5470 None 0.129 0.908
document_4946 730.5330 730.5330 None 0.129 0.904
document_4745 716.4830 716.4830 None 0.129 0.910
document_4850 722.4910 722.4910 None 0.129 0.908
document_4805 718.5320 718.5320 None 0.128 0.910
document_1407 454.2910 454.2910 None 0.127 0.927
document_5729 887.9150 887.9150 None 0.127 0.632
document_4816 718.5320 718.5320 None 0.126 0.912
document_4233 690.4080 690.4080 None 0.124 0.912
document_4818 718.5320 718.5320 None 0.124 0.909
document_4011 678.5070 678.5070 None 0.123 0.912
document_1179 440.2750 440.2750 None 0.121 0.913
document_1446 456.2700 456.2700 None 0.120 0.915
document_4677 716.4320 716.4320 None 0.120 0.907
document_4938 730.4990 730.4990 None 0.118 0.910
document_4944 730.5320 730.5320 None 0.117 0.657
document_714 426.2600 426.2600 None 0.115 0.915
document_4744 716.4830 716.4830 None 0.115 0.910
document_5155 740.5140 740.5140 None 0.112 0.907
document_5225 744.5470 744.5470 None 0.111 0.905
document_1390 452.2740 452.2740 None 0.111 0.918
document_4772 718.4300 718.4300 None 0.109 0.911
document_5083 738.4390 738.4390 None 0.109 0.915
document_5063 738.4070 738.4070 None 0.106 0.915
document_4344 694.5010 694.5010 None 0.106 0.912
document_4209 690.4010 690.4010 None 0.106 0.910
document_4206 690.4020 690.4020 None 0.106 0.907
document_5219 744.5470 744.5470 None 0.105 0.908
document_4690 716.4150 716.4150 None 0.104 0.922
document_4036 678.5060 678.5060 None 0.104 0.906
document_1176 440.2760 440.2760 None 0.103 0.917
document_4676 716.4310 716.4310 None 0.103 0.926
document_4075 680.4860 680.4860 None 0.103 0.910
document_4516 704.4150 704.4150 None 0.103 0.911
document_4779 718.4300 718.4300 None 0.102 0.911
document_5728 887.9080 887.9080 None 0.102 0.632
document_4024 678.5060 678.5060 None 0.101 0.909
document_4039 678.5070 678.5070 None 0.100 0.906
document_1651 468.3090 468.3090 None 0.100 0.912
document_4213 690.4010 690.4010 None 0.100 0.906
document_5203 744.4430 744.4430 None 0.100 0.916
document_4027 678.5070 678.5070 None 0.100 0.909
document_1408 454.2930 454.2930 None 0.098 0.915
document_4018 678.5070 678.5070 None 0.096 0.906
document_4239 690.4010 690.4010 None 0.096 0.912
document_4392 702.4100 702.4100 None 0.095 0.921
document_4687 716.4150 716.4150 None 0.095 0.912
document_4651 714.5000 714.5000 None 0.095 0.912
document_4220 690.4010 690.4010 None 0.094 0.915
document_4591 710.4430 710.4430 None 0.094 0.917
document_4712 716.4150 716.4150 None 0.094 0.904
document_4230 690.4010 690.4010 None 0.092 0.907
document_4707 716.4150 716.4150 None 0.091 0.911
document_5190 744.4430 744.4430 None 0.091 0.917
document_4055 678.5080 678.5080 None 0.091 0.917
document_4015 678.5070 678.5070 None 0.090 0.905
document_4008 678.5060 678.5060 None 0.090 0.915
document_4706 716.4150 716.4150 None 0.089 0.922
document_4017 678.5070 678.5070 None 0.089 0.912
document_3397 616.4320 616.4320 None 0.089 0.909
document_4048 678.5080 678.5080 None 0.089 0.905
document_4244 690.4230 690.4230 None 0.088 0.918
document_5080 738.3950 738.3950 None 0.086 0.913
document_715 426.2600 426.2600 None 0.086 0.920
document_4245 690.4020 690.4020 None 0.085 0.912
document_4034 678.5070 678.5070 None 0.085 0.903
document_3872 664.3880 664.3880 None 0.084 0.915
document_4769 718.4710 718.4710 None 0.084 0.915
document_3972 676.4560 676.4560 None 0.084 0.911
document_5189 744.4430 744.4430 None 0.084 0.917
document_5727 887.9150 887.9150 None 0.084 0.632
document_4747 716.5220 716.5220 None 0.084 0.908
document_4822 718.5340 718.5340 None 0.084 0.911
document_5197 744.4430 744.4430 None 0.083 0.917
document_5078 738.3960 738.3960 None 0.083 0.915
document_5093 738.3960 738.3960 None 0.082 0.912
document_4740 716.4830 716.4830 None 0.082 0.912
document_5204 744.4430 744.4430 None 0.081 0.922
document_4041 678.5070 678.5070 None 0.081 0.910
document_4054 678.5080 678.5080 None 0.080 0.914
document_1181 440.3100 440.3100 None 0.080 0.914
document_4031 678.5070 678.5070 None 0.079 0.911
document_4247 690.4260 690.4260 None 0.079 0.911
document_4021 678.5070 678.5070 None 0.078 0.913
document_4006 678.5070 678.5070 None 0.078 0.925
document_1391 452.2720 452.2720 None 0.078 0.915
document_5180 744.4430 744.4430 None 0.077 0.917
document_1421 455.2570 455.2570 None 0.077 0.630
document_4032 678.5060 678.5060 None 0.077 0.910
document_4050 678.5070 678.5070 None 0.077 0.910
document_5062 738.3950 738.3950 None 0.076 0.912
document_4016 678.5060 678.5060 None 0.076 0.911
document_5199 744.4430 744.4430 None 0.076 0.922
document_4014 678.5070 678.5070 None 0.076 0.911
document_4053 678.5070 678.5070 None 0.075 0.917
document_1400 454.3250 454.3250 None 0.075 0.922
document_1177 440.2770 440.2770 None 0.075 0.911
document_4049 678.5070 678.5070 None 0.075 0.904
document_4229 690.4010 690.4010 None 0.074 0.917
document_4236 690.4010 690.4010 None 0.074 0.915
document_4037 678.5060 678.5060 None 0.074 0.910
document_4013 678.5070 678.5070 None 0.074 0.914
document_1182 440.2770 440.2770 None 0.073 0.916
document_4040 678.5070 678.5070 None 0.073 0.916
document_4246 690.4320 690.4320 None 0.072 0.917
document_4051 678.5070 678.5070 None 0.072 0.922
document_1183 440.2900 440.2900 None 0.072 0.910
document_4225 690.4020 690.4020 None 0.072 0.906
document_4046 678.5070 678.5070 None 0.072 0.912
document_4185 688.4920 688.4920 None 0.072 0.915
document_4042 678.5070 678.5070 None 0.071 0.915
document_1178 440.2760 440.2760 None 0.071 0.917
document_5074 738.3950 738.3950 None 0.070 0.910
document_4653 714.5020 714.5020 None 0.070 0.634
document_4009 678.5060 678.5060 None 0.069 0.910
document_4019 678.5070 678.5070 None 0.069 0.915
document_4047 678.5060 678.5060 None 0.069 0.915
document_4524 704.4150 704.4150 None 0.068 0.920
document_5059 738.3950 738.3950 None 0.066 0.904
document_716 426.2600 426.2600 None 0.065 0.917
document_5056 738.3950 738.3950 None 0.065 0.914
document_4686 716.4150 716.4150 None 0.063 0.917
document_4035 678.5070 678.5070 None 0.063 0.911
document_4162 688.4700 688.4700 None 0.063 0.912
document_5259 752.5140 752.5140 None 0.063 0.905
document_5439 780.5440 780.5440 None 0.063 0.909
document_4271 690.5060 690.5060 None 0.062 0.905
document_4033 678.5060 678.5060 None 0.062 0.915
document_4532 704.5220 704.5220 None 0.060 0.918
document_4022 678.5070 678.5070 None 0.058 0.910
document_4223 690.4170 690.4170 None 0.058 0.923
document_4253 690.4020 690.4020 None 0.058 0.922
document_5338 766.5240 766.5240 None 0.056 0.900
document_3547 636.4050 636.4050 None 0.056 0.917
document_5052 738.4060 738.4060 None 0.055 0.913
document_5045 738.4040 738.4040 None 0.055 0.907
document_4269 690.5040 690.5040 None 0.054 0.906
document_4045 678.5070 678.5070 None 0.054 0.915
document_4881 726.5000 726.5000 None 0.054 0.906
document_4282 690.5070 690.5070 None 0.054 0.905
document_4774 718.4300 718.4300 None 0.052 0.912
document_4608 710.4730 710.4730 None 0.052 0.910
document_1786 478.2520 478.2520 None 0.051 0.907
document_161 405.2700 405.2700 None 0.050 0.632

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.