Mass2Motif: motif_271

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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 0.9889978004369114. 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_69.0500 0.812
fragment_55.0500 0.134
fragment_550.3500 0.025
loss_140.6500 0.011
loss_141.6500 0.005
fragment_145.0500 0.002

Counts of Classyfire Substituent terms

Term name Count in motif Percentage in motif Percentage in experiment Absolute difference
Hydrocarbon derivative 188 100 100 0
Organooxygen compound 164 87.2 95.3 8.1
Carbonyl group 51 27.1 44.0 16.9
Organic nitrogen compound 51 27.1 55.6 28.5
Organonitrogen compound 42 22.3 54.1 31.8
Organopnictogen compound 40 21.3 45.2 24.0
Aliphatic acyclic compound 30 16.0 2.9 13.0
Alcohol 22 11.7 14.7 3.0
Heteroaromatic compound 18 9.6 5.8 3.8
Azacycle 15 8.0 22.6 14.6
Aromatic heteropolycyclic compound 12 6.4 9.6 3.3
Benzenoid 9 4.8 18.3 13.6
Secondary alcohol 4 2.1 7.7 5.6
Organoheterocyclic compound 3 1.6 13.3 11.7
Oxacycle 2 1.1 7.9 6.8
1-hydroxy-2-unsubstituted benzenoid 1 0.5 1.3 0.7
Phenol 1 0.5 0.5 0.1
1-hydroxy-4-unsubstituted benzenoid 1 0.5 0.2 0.3

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_4193 690.0760 690.0760 None 0.424 0.951
document_3147 593.3160 593.3160 None 0.341 0.025
document_4238 690.4440 690.4440 None 0.325 0.945
document_4679 716.4150 716.4150 None 0.322 0.946
document_2186 502.2110 502.2110 None 0.230 0.941
document_4902 727.3820 727.3820 None 0.229 0.804
document_5211 744.4860 744.4860 None 0.220 0.944
document_3537 634.3070 634.3070 None 0.219 0.944
document_644 421.2370 421.2370 None 0.218 0.946
document_3534 634.2070 634.2070 None 0.218 0.809
document_4278 690.5070 690.5070 None 0.212 0.946
document_4730 716.4740 716.4740 None 0.209 0.946
document_2431 524.1530 524.1530 None 0.205 0.811
document_4517 705.0320 705.0320 None 0.200 0.827
document_1648 468.3060 468.3060 None 0.189 0.812
document_529 421.1620 421.1620 None 0.189 0.946
document_4182 690.0640 690.0640 None 0.187 0.982
document_4526 704.4150 704.4150 None 0.185 0.946
document_4786 718.4770 718.4770 None 0.184 0.948
document_1636 467.3050 467.3050 None 0.182 0.945
document_4233 690.4080 690.4080 None 0.180 0.969
document_1147 437.2410 437.2410 None 0.177 0.810
document_1328 446.1870 446.1870 None 0.177 0.812
document_3873 664.3880 664.3880 None 0.176 0.946
document_4747 716.5220 716.5220 None 0.174 0.946
document_4515 704.4150 704.4150 None 0.171 0.945
document_4173 689.9500 689.9500 None 0.168 0.971
document_4700 716.4670 716.4670 None 0.166 0.945
document_1584 463.3010 463.3010 None 0.164 0.808
document_4241 690.4020 690.4020 None 0.160 0.944
document_2263 507.2980 507.2980 None 0.155 0.812
document_3943 673.2710 673.2710 None 0.154 0.814
document_1454 457.2720 457.2720 None 0.154 0.812
document_4763 718.4290 718.4290 None 0.154 0.946
document_4762 718.4290 718.4290 None 0.148 0.946
document_4169 690.2770 690.2770 None 0.146 0.970
document_2353 515.2020 515.2020 None 0.144 0.812
document_1044 433.2120 433.2120 None 0.143 0.946
document_532 421.1700 421.1700 None 0.142 0.945
document_960 433.0190 433.0190 None 0.140 0.946
document_1042 433.1940 433.1940 None 0.140 0.812
document_4170 690.0860 690.0860 None 0.139 0.016
document_4629 712.4880 712.4880 None 0.135 0.945
document_3089 588.3080 588.3080 None 0.134 0.812
document_1129 437.2340 437.2340 None 0.134 0.811
document_4210 690.4010 690.4010 None 0.133 0.812
document_1909 487.3130 487.3130 None 0.133 0.811
document_1173 440.2480 440.2480 None 0.133 0.808
document_1715 473.2310 473.2310 None 0.132 0.812
document_1041 433.1930 433.1930 None 0.131 0.812
document_3972 676.4560 676.4560 None 0.131 0.946
document_1043 433.2070 433.2070 None 0.130 0.944
document_1552 463.2760 463.2760 None 0.130 0.944
document_5011 734.4090 734.4090 None 0.130 0.811
document_4774 718.4300 718.4300 None 0.129 0.946
document_534 421.1580 421.1580 None 0.129 0.811
document_403 415.8210 415.8210 None 0.127 0.946
document_4769 718.4710 718.4710 None 0.126 0.945
document_1395 452.4250 452.4250 None 0.126 0.808
document_5186 744.4430 744.4430 None 0.125 0.945
document_4225 690.4020 690.4020 None 0.124 0.971
document_4841 721.8480 721.8480 None 0.123 0.810
document_4665 716.4150 716.4150 None 0.123 0.945
document_5197 744.4430 744.4430 None 0.123 0.946
document_4262 690.4600 690.4600 None 0.122 0.946
document_4508 704.4150 704.4150 None 0.120 0.945
document_4260 690.4300 690.4300 None 0.120 0.946
document_4212 690.4150 690.4150 None 0.119 0.812
document_4237 690.4020 690.4020 None 0.118 0.944
document_1020 432.1920 432.1920 None 0.117 0.812
document_5587 819.5000 819.5000 None 0.117 0.812
document_535 421.1840 421.1840 None 0.114 0.812
document_4275 690.5060 690.5060 None 0.114 0.946
document_1605 465.2320 465.2320 None 0.113 0.945
document_4609 711.4000 711.4000 None 0.113 0.812
document_4837 720.5530 720.5530 None 0.113 0.812
document_4206 690.4020 690.4020 None 0.112 0.970
document_2513 531.3840 531.3840 None 0.111 0.942
document_1624 467.1220 467.1220 None 0.110 0.812
document_4234 690.4020 690.4020 None 0.110 0.970
document_4267 690.4560 690.4560 None 0.109 0.812
document_4623 712.4340 712.4340 None 0.108 0.940
document_1172 440.2490 440.2490 None 0.108 0.811
document_1589 463.3010 463.3010 None 0.106 0.812
document_470 419.2650 419.2650 None 0.106 0.946
document_4849 722.4910 722.4910 None 0.105 0.938
document_4838 720.5540 720.5540 None 0.105 0.946
document_1148 437.2410 437.2410 None 0.104 0.809
document_1733 473.3440 473.3440 None 0.103 0.946
document_4519 704.4150 704.4150 None 0.103 0.945
document_642 421.2350 421.2350 None 0.103 0.811
document_4266 690.4520 690.4520 None 0.102 0.946
document_3975 676.4660 676.4660 None 0.101 0.812
document_5210 744.4800 744.4800 None 0.100 0.812
document_531 421.1580 421.1580 None 0.100 0.812
document_1045 433.2430 433.2430 None 0.099 0.812
document_530 421.2010 421.2010 None 0.099 0.812
document_1483 458.0550 458.0550 None 0.099 0.812
document_5181 744.4430 744.4430 None 0.098 0.945
document_4764 718.4290 718.4290 None 0.098 0.946
document_4667 716.4150 716.4150 None 0.097 0.812
document_4253 690.4020 690.4020 None 0.095 0.968
document_5195 744.4430 744.4430 None 0.095 0.943
document_1747 475.3230 475.3230 None 0.094 0.943
document_645 421.2380 421.2380 None 0.094 0.812
document_4220 690.4010 690.4010 None 0.092 0.837
document_4172 690.1360 690.1360 None 0.092 0.948
document_1235 441.3520 441.3520 None 0.092 0.807
document_1566 463.2770 463.2770 None 0.091 0.812
document_4215 690.4010 690.4010 None 0.091 0.944
document_689 425.1270 425.1270 None 0.090 0.812
document_4250 690.4750 690.4750 None 0.090 0.946
document_4281 690.5070 690.5070 None 0.090 0.812
document_4771 718.4300 718.4300 None 0.089 0.946
document_1797 480.2210 480.2210 None 0.089 0.946
document_2981 576.3890 576.3890 None 0.088 0.945
document_1490 458.2580 458.2580 None 0.086 0.808
document_4728 716.4160 716.4160 None 0.086 0.946
document_5194 744.4430 744.4430 None 0.085 0.946
document_4874 726.4010 726.4010 None 0.085 0.944
document_4268 690.4490 690.4490 None 0.085 0.809
document_891 430.3880 430.3880 None 0.085 0.809
document_4189 689.4490 689.4490 None 0.085 0.944
document_4695 716.4150 716.4150 None 0.084 0.944
document_5582 819.5000 819.5000 None 0.084 0.946
document_5090 738.3960 738.3960 None 0.083 0.812
document_2241 506.5280 506.5280 None 0.082 0.812
document_1040 433.2140 433.2140 None 0.081 0.812
document_4261 690.4420 690.4420 None 0.080 0.812
document_533 421.1580 421.1580 None 0.080 0.812
document_4276 690.5060 690.5060 None 0.079 0.812
document_1730 473.8560 473.8560 None 0.079 0.944
document_4850 722.4910 722.4910 None 0.078 0.946
document_4162 688.4700 688.4700 None 0.078 0.943
document_4392 702.4100 702.4100 None 0.077 0.945
document_4688 716.4150 716.4150 None 0.077 0.946
document_2649 546.2920 546.2920 None 0.077 0.812
document_3332 612.3990 612.3990 None 0.076 0.943
document_53 401.2480 401.2480 None 0.076 0.804
document_1127 437.2360 437.2360 None 0.074 0.812
document_4216 690.4010 690.4010 None 0.073 0.812
document_1258 443.2290 443.2290 None 0.073 0.809
document_4507 704.4150 704.4150 None 0.072 0.945
document_3269 604.3790 604.3790 None 0.071 0.811
document_845 429.3180 429.3180 None 0.071 0.812
document_4246 690.4320 690.4320 None 0.071 0.812
document_5209 744.4430 744.4430 None 0.070 0.944
document_4257 690.4330 690.4330 None 0.069 0.812
document_4178 690.3150 690.3150 None 0.068 0.806
document_4236 690.4010 690.4010 None 0.068 0.837
document_5200 744.4430 744.4430 None 0.067 0.944
document_1194 441.1730 441.1730 None 0.065 0.812
document_3113 590.4170 590.4170 None 0.064 0.946
document_869 430.3870 430.3870 None 0.064 0.808
document_4226 690.4350 690.4350 None 0.064 0.811
document_4524 704.4150 704.4150 None 0.064 0.812
document_2202 505.3090 505.3090 MLS000563039-01! 0.062 0.943
document_4247 690.4260 690.4260 None 0.062 0.810
document_4532 704.5220 704.5220 None 0.062 0.806
document_5093 738.3960 738.3960 None 0.061 0.943
document_4669 716.4140 716.4140 None 0.061 0.811
document_1379 451.1210 451.1210 None 0.061 0.808
document_324 413.2300 413.2300 None 0.060 0.812
document_4779 718.4300 718.4300 None 0.060 0.811
document_4624 712.4700 712.4700 None 0.060 0.944
document_4259 690.4450 690.4450 None 0.059 0.812
document_1582 463.3010 463.3010 None 0.059 0.812
document_5201 744.4430 744.4430 None 0.059 0.811
document_5190 744.4430 744.4430 None 0.059 0.943
document_32 401.2550 401.2550 None 0.058 0.812
document_4245 690.4020 690.4020 None 0.058 0.837
document_4671 716.4150 716.4150 None 0.057 0.809
document_5126 740.4340 740.4340 None 0.056 0.810
document_849 429.3180 429.3180 None 0.056 0.805
document_3210 598.3560 598.3560 None 0.056 0.812
document_2748 555.2930 555.2930 None 0.055 0.811
document_1590 463.3020 463.3020 None 0.055 0.812
document_1915 487.3630 487.3630 None 0.055 0.811
document_2933 570.3630 570.3630 None 0.055 0.806
document_4248 690.4020 690.4020 None 0.054 0.944
document_4666 716.4140 716.4140 None 0.053 0.812
document_4720 716.4150 716.4150 None 0.052 0.812
document_4761 718.4960 718.4960 None 0.052 0.808
document_1463 457.3040 457.3040 None 0.051 0.811
document_4709 716.4150 716.4150 None 0.051 0.811
document_1447 457.0300 457.0300 None 0.051 0.812
document_65 401.2470 401.2470 None 0.051 0.803
document_5083 738.4390 738.4390 None 0.050 0.805

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.