Mass2Motif: motif_234

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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 0.9885415541425597. 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_86.0500 0.940
fragment_70.0500 0.036
fragment_72.0500 0.010
fragment_87.1500 0.002
fragment_199.1500 0.002

Counts of Classyfire Substituent terms

Term name Count in motif Percentage in motif Percentage in experiment Absolute difference
Hydrocarbon derivative 533 100 100 0
Organooxygen compound 529 99.2 95.3 3.9
Organonitrogen compound 485 91.0 54.1 36.9
Organic nitrogen compound 481 90.2 55.6 34.6
Carbonyl group 471 88.4 44.0 44.3
Organopnictogen compound 437 82.0 45.2 36.7
Azacycle 285 53.5 22.6 30.9
Carboxamide group 117 22.0 5.5 16.5
Organoheterocyclic compound 83 15.6 13.3 2.3
Amine 72 13.5 4.4 9.1
Alcohol 49 9.2 14.7 5.5
Carboxylic acid ester 23 4.3 1.8 2.5
Secondary alcohol 20 3.8 7.7 4.0
Aliphatic acyclic compound 18 3.4 2.9 0.4
Benzenoid 18 3.4 18.3 15.0
Oxacycle 18 3.4 7.9 4.5
Primary amine 14 2.6 0.5 2.2
Aromatic heteropolycyclic compound 8 1.5 9.6 8.1
Primary alcohol 5 0.9 0.9 0.1
Heteroaromatic compound 2 0.4 5.8 5.4
Acetal 2 0.4 1.5 1.1
Aliphatic heteropolycyclic compound 2 0.4 0.1 0.3
Glycosyl compound 1 0.2 0.7 0.6
Polyol 1 0.2 1.6 1.4

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_5237 748.7280 748.7280 None 0.801 0.976
document_4 400.2810 400.2810 None 0.684 0.941
document_2649 546.2920 546.2920 None 0.657 0.976
document_1719 473.2380 473.2380 None 0.620 0.975
document_1384 451.2160 451.2160 None 0.612 0.940
document_391 415.2540 415.2540 None 0.487 0.985
document_1510 459.3180 459.3180 None 0.420 0.951
document_1480 458.1980 458.1980 None 0.411 0.988
document_32 401.2550 401.2550 None 0.411 0.985
document_1483 458.0550 458.0550 None 0.411 0.951
document_404 416.1650 416.1650 None 0.409 0.983
document_1434 456.2280 456.2280 None 0.408 0.975
document_393 416.5060 416.5060 None 0.404 0.950
document_1927 489.2310 489.2310 None 0.388 0.929
document_1930 489.2570 489.2570 None 0.387 0.968
document_1276 445.9460 445.9460 None 0.383 0.975
document_3074 588.2730 588.2730 None 0.377 0.974
document_1016 431.2500 431.2500 None 0.370 0.981
document_1909 487.3130 487.3130 None 0.347 0.975
document_840 429.3070 429.3070 None 0.338 0.948
document_1320 445.2660 445.2660 None 0.335 0.940
document_1640 467.8060 467.8060 None 0.334 0.941
document_31 401.2640 401.2640 None 0.332 0.949
document_419 417.2370 417.2370 None 0.331 0.985
document_3026 584.2700 584.2700 None 0.326 0.975
document_3391 616.3550 616.3550 None 0.325 0.974
document_839 429.4960 429.4960 None 0.323 0.975
document_3957 675.3540 675.3540 None 0.319 0.985
document_835 430.7840 430.7840 None 0.316 0.978
document_3776 651.4690 651.4690 None 0.314 0.972
document_2195 503.2720 503.2720 None 0.312 0.986
document_1322 445.2680 445.2680 None 0.310 0.983
document_1481 457.5250 457.5250 None 0.308 0.939
document_392 415.2690 415.2690 None 0.305 0.985
document_1676 471.4490 471.4490 None 0.304 0.966
document_1385 451.2270 451.2270 None 0.304 0.949
document_1450 456.8150 456.8150 None 0.302 0.937
document_186 408.4920 408.4920 None 0.301 0.975
document_1430 457.2260 457.2260 None 0.301 0.987
document_1479 458.5950 458.5950 None 0.301 0.985
document_681 423.7050 423.7050 None 0.300 0.982
document_3775 651.3190 651.3190 None 0.297 0.985
document_1511 459.3200 459.3200 None 0.297 0.940
document_1321 445.2710 445.2710 None 0.295 0.985
document_1677 471.5050 471.5050 None 0.294 0.983
document_3080 587.3010 587.3010 None 0.294 0.975
document_1226 441.3070 441.3070 None 0.292 0.985
document_28 401.2950 401.2950 None 0.290 0.985
document_3622 638.4570 638.4570 None 0.290 0.985
document_1490 458.2580 458.2580 None 0.287 0.975
document_1531 465.1650 465.1650 None 0.285 0.985
document_1284 443.7330 443.7330 None 0.284 0.939
document_773 429.1780 429.1780 None 0.284 0.939
document_830 429.3330 429.3330 None 0.278 0.985
document_3620 638.5830 638.5830 None 0.278 0.975
document_1782 477.8190 477.8190 None 0.276 0.943
document_1456 457.4610 457.4610 None 0.275 0.984
document_1691 473.0800 473.0800 None 0.272 0.985
document_194 408.2080 408.2080 None 0.272 0.977
document_307 413.2160 413.2160 None 0.271 0.949
document_3837 660.3350 660.3350 None 0.268 0.970
document_1363 449.8070 449.8070 None 0.265 0.949
document_1435 458.2250 458.2250 None 0.265 0.977
document_4906 727.4000 727.4000 None 0.262 0.940
document_3082 587.8560 587.8560 None 0.262 0.934
document_1351 448.2550 448.2550 None 0.261 0.984
document_1609 465.8200 465.8200 None 0.259 0.937
document_2264 507.2970 507.2970 None 0.259 0.937
document_1931 489.2550 489.2550 None 0.257 0.986
document_1964 491.3220 491.3220 None 0.254 0.985
document_401 415.2860 415.2860 None 0.253 0.984
document_1019 431.2510 431.2510 None 0.251 0.948
document_292 413.2320 413.2320 None 0.250 0.983
document_1191 440.7300 440.7300 None 0.250 0.983
document_3083 587.3020 587.3020 None 0.247 0.984
document_1929 489.2560 489.2560 None 0.246 0.983
document_402 415.2880 415.2880 None 0.245 0.930
document_834 430.1070 430.1070 None 0.244 0.975
document_3051 584.3650 584.3650 None 0.243 0.985
document_1029 432.2400 432.2400 None 0.242 0.985
document_240 411.7190 411.7190 None 0.241 0.933
document_2043 497.3840 497.3840 None 0.241 0.975
document_3506 631.9830 631.9830 None 0.240 0.974
document_410 416.5220 416.5220 None 0.240 0.976
document_79 401.2730 401.2730 None 0.239 0.950
document_1755 478.2090 478.2090 None 0.238 0.985
document_91 402.4470 402.4470 None 0.238 0.940
document_271 413.2030 413.2030 None 0.236 0.974
document_5544 814.3610 814.3610 None 0.234 0.985
document_1459 458.3830 458.3830 None 0.231 0.979
document_1227 444.2250 444.2250 None 0.231 0.979
document_1243 442.2660 442.2660 None 0.230 0.978
document_5434 780.5650 780.5650 None 0.228 0.985
document_2666 548.3400 548.3400 None 0.226 0.939
document_30 401.2660 401.2660 None 0.225 0.985
document_207 408.3250 408.3250 None 0.224 0.940
document_1286 443.8120 443.8120 None 0.224 0.950
document_29 401.1930 401.1930 None 0.224 0.939
document_1688 473.2600 473.2600 None 0.223 0.982
document_1455 458.0100 458.0100 None 0.222 0.985
document_4089 682.3740 682.3740 None 0.221 0.974
document_333 413.2440 413.2440 None 0.221 0.986
document_265 413.2010 413.2010 None 0.219 0.950
document_5459 785.3090 785.3090 None 0.217 0.939
document_2646 546.2990 546.2990 None 0.217 0.938
document_831 431.0400 431.0400 None 0.216 0.985
document_2085 498.8130 498.8130 None 0.216 0.940
document_2222 505.3370 505.3370 None 0.215 0.983
document_5481 794.7160 794.7160 None 0.215 0.985
document_403 415.8210 415.8210 None 0.214 0.945
document_2561 537.2370 537.2370 None 0.214 0.940
document_3289 609.1380 609.1380 None 0.214 0.984
document_865 430.2260 430.2260 None 0.213 0.935
document_1694 472.0820 472.0820 None 0.213 0.940
document_1926 489.7330 489.7330 None 0.211 0.985
document_399 416.8040 416.8040 None 0.208 0.940
document_5607 830.4400 830.4400 None 0.207 0.985
document_770 429.5390 429.5390 None 0.205 0.974
document_5486 794.4190 794.4190 None 0.205 0.985
document_1114 436.4680 436.4680 None 0.205 0.950
document_5484 794.5370 794.5370 None 0.204 0.985
document_256 413.2770 413.2770 None 0.204 0.976
document_43 401.3580 401.3580 None 0.203 0.983
document_129 403.2540 403.2540 None 0.203 0.983
document_539 422.3810 422.3810 None 0.201 0.975
document_1794 479.2500 479.2500 None 0.201 0.985
document_416 417.2030 417.2030 None 0.200 0.940
document_3013 580.2980 580.2980 None 0.200 0.982
document_421 418.1670 418.1670 None 0.200 0.985
document_5435 780.3300 780.3300 None 0.198 0.976
document_1555 463.2560 463.2560 None 0.197 0.978
document_735 429.5200 429.5200 None 0.197 0.985
document_1324 445.3030 445.3030 None 0.195 0.976
document_2806 561.9840 561.9840 None 0.193 0.984
document_2454 526.3230 526.3230 None 0.193 0.975
document_5505 799.0350 799.0350 None 0.192 0.985
document_5482 794.7800 794.7800 None 0.192 0.985
document_5483 794.7130 794.7130 None 0.192 0.979
document_1889 487.3030 487.3030 None 0.190 0.982
document_5599 824.6570 824.6570 None 0.189 0.973
document_4361 697.4020 697.4020 None 0.189 0.974
document_4840 720.5540 720.5540 None 0.188 0.940
document_4661 715.7540 715.7540 None 0.188 0.985
document_42 402.3110 402.3110 None 0.187 0.938
document_3089 588.3080 588.3080 None 0.187 0.940
document_5502 798.9130 798.9130 None 0.187 0.967
document_39 401.7740 401.7740 None 0.187 0.984
document_2439 525.2890 525.2890 None 0.186 0.984
document_1015 431.2510 431.2510 None 0.185 0.979
document_2038 499.3600 499.3600 None 0.185 0.983
document_1556 463.2540 463.2540 None 0.185 0.980
document_5455 784.8470 784.8470 None 0.185 0.977
document_2732 554.2840 554.2840 None 0.184 0.985
document_3840 661.2850 661.2850 None 0.184 0.971
document_819 429.2430 429.2430 None 0.183 0.976
document_2923 570.0970 570.0970 None 0.183 0.986
document_2477 529.2320 529.2320 None 0.181 0.984
document_1457 457.2640 457.2640 None 0.181 0.973
document_390 416.9680 416.9680 None 0.181 0.975
document_5450 782.5680 782.5680 None 0.181 0.937
document_5332 766.5790 766.5790 None 0.180 0.981
document_1908 489.7050 489.7050 None 0.180 0.981
document_3971 676.3650 676.3650 None 0.180 0.985
document_2265 507.2840 507.2840 None 0.179 0.950
document_330 413.2440 413.2440 None 0.179 0.984
document_46 401.2470 401.2470 None 0.178 0.949
document_310 413.2160 413.2160 None 0.178 0.983
document_1578 463.2920 463.2920 None 0.178 0.974
document_247 412.9700 412.9700 None 0.177 0.974
document_201 408.2470 408.2470 None 0.176 0.949
document_397 416.5030 416.5030 None 0.176 0.985
document_5876 1041.9990 1041.9990 None 0.175 0.951
document_3296 608.7020 608.7020 None 0.175 0.975
document_1169 441.9840 441.9840 None 0.174 0.978
document_5019 735.3180 735.3180 None 0.174 0.985
document_5533 809.2300 809.2300 None 0.173 0.979
document_1458 457.2650 457.2650 None 0.173 0.983
document_3257 603.6970 603.6970 None 0.172 0.984
document_5660 845.7630 845.7630 None 0.172 0.940
document_311 413.2160 413.2160 None 0.172 0.936
document_5595 824.6330 824.6330 None 0.171 0.985
document_5666 846.9020 846.9020 None 0.171 0.985
document_1013 431.2500 431.2500 None 0.171 0.980
document_1285 443.3250 443.3250 None 0.170 0.950
document_3777 651.3200 651.3200 None 0.170 0.986
document_255 412.7410 412.7410 None 0.170 0.984
document_2441 525.2980 525.2980 None 0.169 0.939
document_1429 455.9340 455.9340 None 0.168 0.985
document_5510 799.5730 799.5730 None 0.167 0.975
document_5485 794.6050 794.6050 None 0.167 0.980
document_400 415.2870 415.2870 None 0.166 0.947
document_1337 447.2060 447.2060 None 0.165 0.985
document_5605 830.8250 830.8250 None 0.165 0.985
document_197 408.7530 408.7530 None 0.165 0.975
document_80 401.2740 401.2740 None 0.165 0.986
document_1678 470.2260 470.2260 None 0.164 0.940
document_281 413.2150 413.2150 None 0.163 0.973
document_5713 874.4290 874.4290 None 0.162 0.936
document_2924 569.3650 569.3650 None 0.162 0.985
document_1066 433.2820 433.2820 None 0.161 0.937
document_1201 441.2220 441.2220 None 0.161 0.975
document_180 407.8670 407.8670 None 0.161 0.985
document_584 421.2320 421.2320 None 0.161 0.982
document_864 430.2250 430.2250 None 0.160 0.975
document_2400 521.2610 521.2610 None 0.160 0.974
document_168 407.9420 407.9420 None 0.160 0.985
document_2316 511.8330 511.8330 None 0.160 0.949
document_2005 495.2840 495.2840 None 0.159 0.937
document_2174 500.3450 500.3450 None 0.158 0.937
document_1610 466.1990 466.1990 None 0.158 0.950
document_1608 465.2380 465.2380 None 0.157 0.936
document_2453 527.6210 527.6210 None 0.157 0.975
document_2755 556.3320 556.3320 None 0.157 0.985
document_5506 798.9760 798.9760 None 0.157 0.985
document_1014 431.2500 431.2500 None 0.156 0.984
document_1795 479.2640 479.2640 None 0.156 0.985
document_178 407.1940 407.1940 None 0.156 0.940
document_2774 557.3280 557.3280 None 0.156 0.986
document_3609 638.2670 638.2670 None 0.156 0.974
document_428 418.8240 418.8240 None 0.155 0.985
document_1142 437.2340 437.2340 None 0.155 0.975
document_405 415.2900 415.2900 None 0.155 0.950
document_2611 542.3110 542.3110 None 0.154 0.985
document_2391 519.7560 519.7560 None 0.154 0.933
document_66 401.2470 401.2470 None 0.153 0.972
document_1288 443.8980 443.8980 None 0.153 0.984
document_2922 569.9730 569.9730 None 0.152 0.975
document_2475 528.2640 528.2640 None 0.152 0.985
document_2006 495.2790 495.2790 None 0.150 0.985
document_1312 444.2500 444.2500 None 0.150 0.950
document_1603 465.2010 465.2010 None 0.149 0.938
document_5179 743.5690 743.5690 None 0.149 0.984
document_734 428.1820 428.1820 None 0.148 0.985
document_790 429.1950 429.1950 None 0.148 0.972
document_2831 564.3370 564.3370 None 0.147 0.940
document_5664 847.0060 847.0060 None 0.147 0.985
document_3623 638.6980 638.6980 None 0.147 0.985
document_866 431.1650 431.1650 None 0.146 0.940
document_2606 541.3020 541.3020 None 0.146 0.985
document_707 426.4290 426.4290 None 0.145 0.985
document_5457 785.0820 785.0820 None 0.145 0.985
document_2412 522.2190 522.2190 None 0.145 0.981
document_2758 556.3330 556.3330 None 0.144 0.933
document_1287 443.3250 443.3250 None 0.144 0.985
document_1778 477.3070 477.3070 None 0.144 0.984
document_4350 695.3370 695.3370 None 0.143 0.975
document_1723 473.2920 473.2920 None 0.143 0.983
document_2189 502.3030 502.3030 None 0.142 0.985
document_389 415.2590 415.2590 None 0.142 0.982
document_188 407.2380 407.2380 None 0.142 0.985
document_420 417.2340 417.2340 None 0.142 0.940
document_2193 504.4820 504.4820 None 0.141 0.984
document_1460 458.1670 458.1670 None 0.141 0.980
document_3985 678.2970 678.2970 None 0.141 0.985
document_2788 559.8290 559.8290 None 0.141 0.975
document_5600 824.5920 824.5920 None 0.140 0.985
document_682 424.1980 424.1980 None 0.140 0.983
document_1722 473.2840 473.2840 None 0.140 0.937
document_5712 874.4290 874.4290 None 0.140 0.972
document_1679 471.5900 471.5900 None 0.139 0.982
document_4498 704.3280 704.3280 None 0.139 0.975
document_1020 432.1920 432.1920 None 0.139 0.985
document_1021 432.7250 432.7250 None 0.139 0.985
document_1329 446.1600 446.1600 None 0.138 0.940
document_1315 444.2910 444.2910 None 0.137 0.985
document_2258 507.2100 507.2100 None 0.137 0.951
document_5598 824.5820 824.5820 None 0.136 0.985
document_189 407.2380 407.2380 None 0.136 0.940
document_4349 695.3350 695.3350 None 0.135 0.985
document_318 413.2240 413.2240 None 0.134 0.975
document_2335 513.2750 513.2750 None 0.132 0.975
document_1983 495.0870 495.0870 None 0.132 0.975
document_5458 784.9710 784.9710 None 0.132 0.984
document_5603 830.6040 830.6040 None 0.131 0.985
document_5883 1050.6980 1050.6980 None 0.131 0.940
document_749 428.4680 428.4680 None 0.130 0.975
document_394 415.2570 415.2570 None 0.130 0.976
document_5503 798.7600 798.7600 None 0.130 0.946
document_2371 517.4900 517.4900 None 0.130 0.975
document_1342 447.2580 447.2580 None 0.129 0.932
document_103 402.2810 402.2810 None 0.129 0.940
document_5469 788.8170 788.8170 None 0.129 0.987
document_1701 472.2780 472.2780 None 0.129 0.985
document_1891 486.2920 486.2920 None 0.129 0.984
document_1199 441.2210 441.2210 None 0.128 0.940
document_2738 554.3060 554.3060 None 0.128 0.985
document_3836 661.2800 661.2800 None 0.128 0.979
document_3022 581.8120 581.8120 None 0.128 0.967
document_1607 465.2400 465.2400 None 0.127 0.940
document_2292 510.7500 510.7500 None 0.127 0.934
document_743 427.9210 427.9210 None 0.126 0.985
document_804 429.2420 429.2420 None 0.125 0.985
document_2777 558.3120 558.3120 None 0.124 0.975
document_523 420.7350 420.7350 None 0.124 0.975
document_4378 700.3850 700.3850 None 0.124 0.983
document_5673 853.7700 853.7700 None 0.123 0.985
document_1777 477.3050 477.3050 None 0.123 0.931
document_190 408.1590 408.1590 None 0.123 0.950
document_748 428.2380 428.2380 None 0.122 0.971
document_1314 444.5970 444.5970 None 0.122 0.981
document_1492 458.2950 458.2950 None 0.122 0.948
document_5535 809.1100 809.1100 None 0.122 0.985
document_1696 472.2710 472.2710 None 0.122 0.971
document_312 413.2220 413.2220 None 0.122 0.939
document_5661 847.1100 847.1100 None 0.122 0.980
document_2716 553.2530 553.2530 None 0.122 0.984
document_5788 931.4520 931.4520 None 0.121 0.970
document_1482 458.2060 458.2060 None 0.121 0.987
document_5025 735.3310 735.3310 None 0.121 0.949
document_3470 626.3850 626.3850 None 0.121 0.946
document_3142 592.7360 592.7360 None 0.121 0.975
document_1359 449.2750 449.2750 None 0.120 0.982
document_97 402.1960 402.1960 None 0.120 0.975
document_4954 731.3110 731.3110 None 0.118 0.940
document_3238 601.7840 601.7840 None 0.118 0.975
document_3826 659.2530 659.2530 None 0.118 0.975
document_2401 521.2820 521.2820 None 0.117 0.985
document_2736 554.3080 554.3080 None 0.117 0.986
document_836 429.9970 429.9970 None 0.116 0.975
document_5597 824.6270 824.6270 None 0.116 0.977
document_1313 445.8280 445.8280 None 0.116 0.938
document_5807 947.4480 947.4480 None 0.115 0.970
document_2414 522.2190 522.2190 None 0.115 0.935
document_1330 447.5680 447.5680 None 0.115 0.977
document_744 428.8720 428.8720 None 0.114 0.982
document_2607 541.3010 541.3010 None 0.113 0.951
document_2196 503.2710 503.2710 None 0.113 0.979
document_216 409.1840 409.1840 None 0.113 0.971
document_58 401.2470 401.2470 None 0.113 0.940
document_3010 579.7540 579.7540 None 0.113 0.935
document_2978 576.3200 576.3200 None 0.112 0.975
document_269 413.2040 413.2040 None 0.112 0.950
document_2318 512.3970 512.3970 None 0.112 0.978
document_1150 437.9640 437.9640 None 0.111 0.975
document_1702 472.2780 472.2780 None 0.111 0.980
document_26 401.2820 401.2820 None 0.110 0.985
document_1893 487.0680 487.0680 None 0.110 0.981
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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.