Mass2Motif: motif_215

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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 0.9661050797794153. 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_253.1500 0.375
loss_138.0500 0.146
loss_180.1500 0.067
loss_168.0500 0.062
fragment_329.1500 0.046
loss_150.1500 0.029
fragment_207.0500 0.026
fragment_991.6500 0.023
loss_108.0500 0.022
fragment_325.1500 0.017
fragment_371.2500 0.014
loss_137.0500 0.012
fragment_208.1500 0.010
loss_104.0500 0.009
loss_148.0500 0.008
fragment_330.1500 0.007
loss_99.1500 0.007
fragment_178.0500 0.006
loss_179.1500 0.005
fragment_992.6500 0.005
loss_160.1500 0.004
fragment_289.2500 0.004
fragment_288.0500 0.004
loss_167.0500 0.004
loss_92.0500 0.003
loss_107.0500 0.003
loss_134.1500 0.003
fragment_254.1500 0.003
loss_62.6500 0.003
fragment_444.6500 0.003
loss_122.1500 0.003
loss_116.9500 0.002
fragment_310.1500 0.002
fragment_252.6500 0.002
fragment_192.9500 0.002
fragment_372.2500 0.002
loss_66.0500 0.002
loss_133.1500 0.002
fragment_211.0500 0.002
loss_132.1500 0.002
loss_149.7500 0.002
loss_103.7500 0.002
loss_172.1500 0.001
fragment_136.9500 0.001
fragment_442.2500 0.001
loss_179.7500 0.001
loss_136.0500 0.001
fragment_331.2500 0.001
fragment_260.8500 0.001
fragment_326.2500 0.001
fragment_709.4500 0.001
fragment_68.9500 0.001
fragment_112.9500 0.001
fragment_595.3500 0.001

Counts of Classyfire Substituent terms

Term name Count in motif Percentage in motif Percentage in experiment Absolute difference
Hydrocarbon derivative 119 100 100 0
Organooxygen compound 118 99.2 95.3 3.8
Benzenoid 73 61.3 18.3 43.0
Aromatic heteropolycyclic compound 68 57.1 9.6 47.5
Organic nitrogen compound 32 26.9 55.6 28.7
Organonitrogen compound 21 17.6 54.1 36.5
Heteroaromatic compound 20 16.8 5.8 11.1
Organopnictogen compound 19 16.0 45.2 29.3
Oxacycle 13 10.9 7.9 3.0
Carbonyl group 10 8.4 44.0 35.6
Azacycle 9 7.6 22.6 15.1
Organoheterocyclic compound 4 3.4 13.3 10.0
Amine 3 2.5 4.4 1.8
1-hydroxy-2-unsubstituted benzenoid 2 1.7 1.3 0.4
Aliphatic acyclic compound 1 0.8 2.9 2.1
Chromone 1 0.8 0.0 0.8
1-benzopyran 1 0.8 0.1 0.7
Pyran 1 0.8 0.1 0.7
Vinylogous acid 1 0.8 0.1 0.8
Phenol 1 0.8 0.5 0.4

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_2271 507.3040 507.3040 None 0.649 0.074
document_4192 689.5320 689.5320 None 0.415 0.159
document_1693 474.9670 474.9670 None 0.373 0.488
document_1057 433.2750 433.2750 None 0.365 0.601
document_528 421.1640 421.1640 None 0.348 0.458
document_2269 507.3050 507.3050 None 0.342 0.467
document_1059 433.2760 433.2760 None 0.319 0.620
document_2221 505.3460 505.3460 None 0.315 0.573
document_1061 433.2770 433.2770 None 0.311 0.555
document_1047 433.2770 433.2770 None 0.310 0.636
document_1551 463.2860 463.2860 None 0.307 0.735
document_1051 433.2760 433.2760 None 0.305 0.604
document_1055 433.2750 433.2750 None 0.305 0.553
document_2512 531.3850 531.3850 None 0.300 0.430
document_1048 433.2760 433.2760 None 0.300 0.611
document_1053 433.2760 433.2760 None 0.298 0.621
document_1050 433.2740 433.2740 None 0.297 0.571
document_1064 433.2780 433.2780 None 0.287 0.613
document_1054 433.2800 433.2800 None 0.277 0.539
document_1748 475.3240 475.3240 None 0.277 0.534
document_1386 451.2500 451.2500 None 0.275 0.527
document_1065 433.2800 433.2800 None 0.269 0.581
document_1138 437.2310 437.2310 None 0.258 0.168
document_1062 433.2810 433.2810 None 0.249 0.563
document_2547 535.3080 535.3080 None 0.248 0.489
document_2510 531.3850 531.3850 None 0.246 0.466
document_1052 433.2760 433.2760 None 0.239 0.602
document_1063 433.2770 433.2770 None 0.233 0.527
document_2270 507.3030 507.3030 None 0.226 0.421
document_624 421.2330 421.2330 None 0.214 0.602
document_2803 561.3970 561.3970 None 0.212 0.391
document_1058 433.2760 433.2760 None 0.204 0.522
document_185 407.2230 407.2230 None 0.204 0.437
document_1023 431.2940 431.2940 None 0.196 0.130
document_552 421.2370 421.2370 None 0.195 0.698
document_1056 433.2760 433.2760 None 0.194 0.500
document_635 421.2340 421.2340 None 0.192 0.680
document_2638 545.4010 545.4010 None 0.191 0.488
document_184 407.2230 407.2230 None 0.179 0.110
document_654 421.2370 421.2370 None 0.178 0.563
document_2311 511.3180 511.3180 None 0.173 0.372
document_634 421.2390 421.2390 None 0.172 0.682
document_636 421.2350 421.2350 None 0.171 0.677
document_2495 529.4080 529.4080 None 0.170 0.197
document_433 421.2020 421.2020 None 0.169 0.681
document_648 421.2380 421.2380 None 0.169 0.692
document_643 421.2350 421.2350 None 0.166 0.612
document_621 421.2370 421.2370 None 0.165 0.691
document_426 421.2110 421.2110 None 0.160 0.687
document_649 421.2410 421.2410 None 0.158 0.660
document_1049 433.2760 433.2760 None 0.156 0.556
document_593 421.2390 421.2390 None 0.154 0.636
document_71 401.2500 401.2500 None 0.144 0.435
document_660 421.2430 421.2430 None 0.142 0.605
document_638 421.2400 421.2400 None 0.139 0.623
document_625 421.2370 421.2370 None 0.134 0.627
document_183 407.2240 407.2240 None 0.131 0.258
document_2392 520.1980 520.1980 None 0.129 0.168
document_657 421.2360 421.2360 None 0.127 0.629
document_633 421.2360 421.2360 None 0.126 0.673
document_3418 619.4370 619.4370 None 0.126 0.375
document_1165 439.2890 439.2890 None 0.120 0.375
document_650 421.2360 421.2360 None 0.119 0.612
document_651 421.2390 421.2390 None 0.118 0.241
document_655 421.2370 421.2370 None 0.115 0.613
document_653 421.2380 421.2380 None 0.115 0.549
document_2354 515.2500 515.2500 None 0.114 0.378
document_2345 513.3740 513.3740 None 0.113 0.412
document_1045 433.2430 433.2430 None 0.112 0.178
document_2405 521.3300 521.3300 None 0.111 0.397
document_599 421.2320 421.2320 None 0.110 0.172
document_944 430.9140 430.9140 None 0.109 0.481
document_658 421.2390 421.2390 None 0.108 0.178
document_662 421.2410 421.2410 None 0.107 0.200
document_504 420.1530 420.1530 None 0.106 0.403
document_974 430.9140 430.9140 None 0.101 0.471
document_1753 475.3790 475.3790 None 0.094 0.092
document_13 401.1760 401.1760 None 0.093 0.416
document_1574 463.2850 463.2850 None 0.091 0.381
document_3401 617.3460 617.3460 None 0.087 0.420
document_3749 647.3540 647.3540 None 0.086 0.375
document_917 430.9130 430.9130 None 0.085 0.491
document_3721 645.2730 645.2730 None 0.082 0.398
document_1034 432.2780 432.2780 None 0.082 0.400
document_844 430.9090 430.9090 None 0.080 0.488
document_476 419.2760 419.2760 None 0.080 0.521
document_54 401.2480 401.2480 None 0.080 0.381
document_1018 431.2500 431.2500 None 0.080 0.473
document_2184 501.3660 501.3660 None 0.078 0.398
document_1281 443.3000 443.3000 None 0.078 0.380
document_817 429.2430 429.2430 None 0.075 0.400
document_661 421.2400 421.2400 None 0.075 0.199
document_347 414.8470 414.8470 None 0.071 0.392
document_1224 443.1010 443.1010 None 0.070 0.421
document_525 421.2000 421.2000 None 0.068 0.259
document_889 430.7120 430.7120 None 0.068 0.481
document_811 429.2420 429.2420 None 0.067 0.447
document_2553 535.3370 535.3370 None 0.065 0.380
document_292 413.2320 413.2320 None 0.062 0.062
document_949 430.9130 430.9130 None 0.062 0.404
document_388 415.1720 415.1720 None 0.062 0.375
document_1860 485.2700 485.2700 None 0.062 0.408
document_1746 475.3230 475.3230 Loperamide hydrochloride 0.062 0.454
document_904 430.9100 430.9100 None 0.060 0.400
document_4393 703.6900 703.6900 None 0.060 0.449
document_1915 487.3630 487.3630 None 0.060 0.375
document_1731 474.6890 474.6890 None 0.060 0.407
document_954 430.9130 430.9130 None 0.060 0.420
document_2016 496.1600 496.1600 None 0.059 0.163
document_454 418.3920 418.3920 None 0.059 0.375
document_307 413.2160 413.2160 None 0.057 0.062
document_47 401.2470 401.2470 None 0.057 0.381
document_2514 531.3860 531.3860 None 0.055 0.374
document_3383 615.3300 615.3300 None 0.054 0.397
document_2388 519.2840 519.2840 None 0.053 0.408
document_799 429.1920 429.1920 None 0.052 0.192
document_94 401.3000 401.3000 None 0.052 0.375
document_532 421.1700 421.1700 None 0.052 0.661
document_333 413.2440 413.2440 None 0.050 0.375

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.