Mass2Motif: motif_167

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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 0.9328117272014185. 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_59.0500 0.838
fragment_101.0500 0.014
fragment_687.7500 0.006
fragment_131.1500 0.006
fragment_176.1500 0.006
fragment_646.1500 0.006
loss_173.5500 0.005
fragment_688.0500 0.004
fragment_863.0500 0.004
fragment_853.8500 0.003
fragment_837.8500 0.003
fragment_645.8500 0.003
fragment_854.1500 0.003
loss_56.3500 0.002
fragment_770.4500 0.002
fragment_375.2500 0.002
fragment_576.0500 0.002
fragment_390.2500 0.002
fragment_576.3500 0.002
fragment_579.3500 0.002
fragment_710.0500 0.002
fragment_936.5500 0.002
fragment_179.0500 0.002
fragment_363.1500 0.001
fragment_837.1500 0.001
fragment_571.3500 0.001
loss_56.7500 0.001
loss_53.0500 0.001
fragment_575.6500 0.001
loss_55.6500 0.001
loss_160.7500 0.001
fragment_770.9500 0.001
fragment_88.5500 0.001
fragment_151.1500 0.001
fragment_576.7500 0.001

Counts of Classyfire Substituent terms

Term name Count in motif Percentage in motif Percentage in experiment Absolute difference
Hydrocarbon derivative 153 100 100 0
Organooxygen compound 138 90.2 95.3 5.1
Carbonyl group 55 35.9 44.0 8.1
Organic nitrogen compound 38 24.8 55.6 30.8
Organonitrogen compound 38 24.8 54.1 29.3
Organopnictogen compound 30 19.6 45.2 25.6
Alcohol 28 18.3 14.7 3.6
Benzenoid 23 15.0 18.3 3.3
Secondary alcohol 22 14.4 7.7 6.7
Oxacycle 18 11.8 7.9 3.9
Organoheterocyclic compound 14 9.2 13.3 4.2
Aliphatic acyclic compound 12 7.8 2.9 4.9
Azacycle 7 4.6 22.6 18.0
Polyol 5 3.3 1.6 1.7
Aromatic heteropolycyclic compound 5 3.3 9.6 6.4
Oxane 5 3.3 1.9 1.4
O-glycosyl compound 5 3.3 1.2 2.1
1-hydroxy-2-unsubstituted benzenoid 5 3.3 1.3 2.0
Primary alcohol 4 2.6 0.9 1.8
Carboxylic acid ester 4 2.6 1.8 0.8
Acetal 4 2.6 1.5 1.2
Glycosyl compound 2 1.3 0.7 0.6
Heteroaromatic compound 1 0.7 5.8 5.1
Amine 1 0.7 4.4 3.7
Aromatic homomonocyclic compound 1 0.7 0.1 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_1465 457.3150 457.3150 None 0.665 0.836
document_3521 632.4050 632.4050 None 0.615 0.873
document_2396 520.3150 520.3150 None 0.592 0.030
document_1845 483.3550 483.3550 None 0.553 0.852
document_1462 457.3160 457.3160 None 0.525 0.834
document_5236 748.0030 748.0030 None 0.504 0.858
document_1476 457.3290 457.3290 None 0.503 0.839
document_1468 457.3120 457.3120 None 0.498 0.836
document_2608 541.3970 541.3970 None 0.490 0.858
document_1474 457.3280 457.3280 None 0.477 0.835
document_1467 457.3120 457.3120 None 0.474 0.848
document_1245 442.6190 442.6190 None 0.470 0.843
document_3219 599.4400 599.4400 None 0.466 0.852
document_1244 442.3410 442.3410 None 0.451 0.852
document_1471 457.3200 457.3200 None 0.421 0.842
document_4660 715.5250 715.5250 None 0.395 0.844
document_1466 457.3170 457.3170 None 0.389 0.846
document_2177 500.3800 500.3800 None 0.368 0.844
document_2781 558.4250 558.4250 Massbank:EA285507 Dronedarone|N-[2-butyl-3-[4-[3-(dibutylamino)propoxy]benzoyl]-1-benzofuran-5-yl]methanesulfonamide 0.365 0.858
document_2780 558.4240 558.4240 None 0.353 0.844
document_2178 500.3870 500.3870 None 0.341 0.838
document_1469 457.3110 457.3110 None 0.337 0.849
document_2176 500.3780 500.3780 None 0.333 0.837
document_3394 616.4560 616.4560 None 0.322 0.844
document_3818 657.4800 657.4800 None 0.302 0.858
document_3393 616.4660 616.4660 None 0.302 0.858
document_1422 455.2580 455.2580 None 0.300 0.839
document_1470 457.3230 457.3230 None 0.297 0.834
document_4973 732.5490 732.5490 None 0.296 0.837
document_1478 457.3300 457.3300 None 0.295 0.833
document_2169 499.3150 499.3150 None 0.284 0.852
document_4659 715.5180 715.5180 None 0.266 0.839
document_3954 674.5070 674.5070 None 0.242 0.858
document_3719 644.4810 644.4810 None 0.213 0.838
document_1475 457.3230 457.3230 None 0.185 0.838
document_340 413.2540 413.2540 None 0.184 0.838
document_5471 790.5800 790.5800 None 0.179 0.852
document_1666 469.3660 469.3660 None 0.179 0.846
document_4904 727.3830 727.3830 None 0.176 0.838
document_2705 551.3270 551.3270 None 0.174 0.856
document_1472 457.3240 457.3240 None 0.173 0.838
document_1974 492.4170 492.4170 None 0.172 0.838
document_3377 613.5220 613.5220 None 0.172 0.850
document_1134 437.2310 437.2310 None 0.169 0.844
document_2268 507.3110 507.3110 None 0.167 0.840
document_1463 457.3040 457.3040 None 0.163 0.838
document_5324 762.4960 762.4960 None 0.162 0.849
document_1569 463.2770 463.2770 None 0.151 0.838
document_1736 474.3260 474.3260 None 0.146 0.840
document_4972 732.6290 732.6290 None 0.139 0.860
document_3977 677.4100 677.4100 Lomaiviticin D 0.138 0.841
document_1425 455.2860 455.2860 None 0.138 0.833
document_5373 770.8440 770.8440 None 0.132 0.838
document_1477 457.3290 457.3290 None 0.127 0.838
document_4129 683.4390 683.4390 None 0.127 0.860
document_5326 762.4960 762.4960 None 0.124 0.847
document_2165 499.3120 499.3120 None 0.124 0.845
document_1361 449.2870 449.2870 None 0.118 0.833
document_3126 591.6130 591.6130 None 0.118 0.838
document_3174 597.0790 597.0790 None 0.115 0.853
document_754 428.4450 428.4450 None 0.115 0.837
document_4860 722.5310 722.5310 None 0.110 0.838
document_4996 734.4010 734.4010 None 0.107 0.852
document_1560 463.2750 463.2750 None 0.106 0.834
document_2669 548.8430 548.8430 None 0.102 0.838
document_1906 487.3100 487.3100 None 0.102 0.838
document_209 408.5930 408.5930 None 0.098 0.836
document_4168 689.8060 689.8060 None 0.098 0.833
document_2072 498.2660 498.2660 None 0.098 0.838
document_2163 499.3130 499.3130 None 0.097 0.840
document_3395 617.5890 617.5890 None 0.095 0.839
document_2137 498.9010 498.9010 None 0.094 0.852
document_1523 460.3100 460.3100 None 0.093 0.839
document_2168 499.3140 499.3140 None 0.093 0.841
document_2539 533.4150 533.4150 None 0.092 0.839
document_3158 595.3270 595.3270 None 0.089 0.839
document_3917 669.4160 669.4160 None 0.087 0.850
document_1559 463.2730 463.2730 None 0.086 0.838
document_435 419.0380 419.0380 None 0.085 0.844
document_4873 726.3820 726.3820 None 0.085 0.837
document_3122 591.4560 591.4560 None 0.085 0.838
document_2056 497.3060 497.3060 None 0.084 0.840
document_1397 452.4240 452.4240 None 0.083 0.838
document_3416 621.7690 621.7690 None 0.082 0.839
document_2057 498.5070 498.5070 None 0.081 0.850
document_4833 720.5870 720.5870 None 0.081 0.841
document_2050 497.3050 497.3050 None 0.080 0.845
document_4059 679.7970 679.7970 None 0.079 0.837
document_3699 645.7760 645.7760 None 0.078 0.834
document_1473 457.7520 457.7520 None 0.077 0.840
document_2995 578.1710 578.1710 None 0.077 0.851
document_1420 455.2580 455.2580 None 0.077 0.829
document_4612 713.6350 713.6350 None 0.077 0.839
document_1295 443.3310 443.3310 None 0.077 0.838
document_3498 629.9460 629.9460 None 0.075 0.838
document_2167 499.3150 499.3150 None 0.074 0.852
document_4332 694.2360 694.2360 None 0.074 0.841
document_348 413.2600 413.2600 None 0.074 0.838
document_3937 674.3370 674.3370 None 0.074 0.839
document_2569 537.4880 537.4880 None 0.073 0.838
document_86 401.6480 401.6480 None 0.072 0.838
document_2164 499.3120 499.3120 None 0.071 0.851
document_933 430.9120 430.9120 None 0.071 0.837
document_4375 701.1200 701.1200 None 0.071 0.843
document_3425 621.0610 621.0610 None 0.071 0.839
document_746 427.3390 427.3390 None 0.071 0.849
document_3603 638.5970 638.5970 None 0.070 0.838
document_3012 582.6040 582.6040 None 0.069 0.842
document_2386 518.7780 518.7780 None 0.069 0.838
document_3551 634.8690 634.8690 None 0.069 0.834
document_1336 446.7750 446.7750 None 0.068 0.838
document_2791 560.3460 560.3460 None 0.067 0.839
document_2802 561.8250 561.8250 None 0.067 0.844
document_2404 521.3150 521.3150 None 0.066 0.840
document_3328 614.2010 614.2010 None 0.065 0.837
document_3449 627.4910 627.4910 None 0.065 0.837
document_4198 690.2760 690.2760 None 0.065 0.837
document_5583 819.5000 819.5000 None 0.065 0.838
document_2166 499.3130 499.3130 None 0.065 0.848
document_5415 773.0530 773.0530 None 0.064 0.839
document_2700 551.3060 551.3060 None 0.064 0.838
document_3541 636.4970 636.4970 None 0.063 0.837
document_1419 455.2580 455.2580 None 0.063 0.831
document_1763 476.2770 476.2770 None 0.061 0.838
document_3905 667.5980 667.5980 None 0.061 0.838
document_4565 708.9600 708.9600 None 0.061 0.838
document_2142 499.3080 499.3080 None 0.061 0.849
document_3225 601.1660 601.1660 None 0.061 0.837
document_2618 542.8870 542.8870 None 0.061 0.852
document_5137 742.2350 742.2350 None 0.060 0.837
document_1173 440.2480 440.2480 None 0.059 0.836
document_3109 592.1030 592.1030 None 0.059 0.837
document_4496 704.3630 704.3630 None 0.058 0.836
document_2023 496.8160 496.8160 None 0.057 0.837
document_5593 819.5000 819.5000 None 0.056 0.838
document_324 413.2300 413.2300 None 0.056 0.850
document_2143 498.9010 498.9010 None 0.056 0.832
document_5496 796.9550 796.9550 None 0.056 0.837
document_2075 498.2670 498.2670 None 0.055 0.851
document_4152 686.4710 686.4710 None 0.055 0.837
document_2762 557.4880 557.4880 None 0.054 0.837
document_3808 658.9970 658.9970 None 0.054 0.833
document_1558 463.2770 463.2770 None 0.054 0.838
document_5572 819.4800 819.4800 None 0.053 0.830
document_3815 657.4530 657.4530 None 0.053 0.838
document_1150 437.9640 437.9640 None 0.053 0.834
document_5429 777.5970 777.5970 None 0.053 0.837
document_227 410.2150 410.2150 None 0.052 0.848
document_5241 748.4730 748.4730 None 0.051 0.837
document_2609 544.1160 544.1160 None 0.051 0.837
document_2696 552.2490 552.2490 None 0.051 0.839
document_4837 720.5530 720.5530 None 0.050 0.838
document_2156 499.1970 499.1970 None 0.050 0.852

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.