Mass2Motif: motif_85

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: Generic motif - generic fragment [72.05]

Short Annotation: Generic motif - generic fragment [72.05]

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 0.9852861443792839. 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_72.0500 0.959
fragment_143.1500 0.012
fragment_89.3500 0.004
fragment_70.0500 0.004
fragment_157.0500 0.003
loss_135.6500 0.002
fragment_255.1500 0.001

Counts of Classyfire Substituent terms

Term name Count in motif Percentage in motif Percentage in experiment Absolute difference
Hydrocarbon derivative 268 100 100 0
Organooxygen compound 266 99.3 95.3 3.9
Organic nitrogen compound 240 89.6 55.6 33.9
Organonitrogen compound 237 88.4 54.1 34.3
Carbonyl group 234 87.3 44.0 43.3
Organopnictogen compound 219 81.7 45.2 36.5
Azacycle 115 42.9 22.6 20.3
Carboxamide group 41 15.3 5.5 9.8
Amine 37 13.8 4.4 9.4
Organoheterocyclic compound 26 9.7 13.3 3.6
Aliphatic acyclic compound 19 7.1 2.9 4.2
Alcohol 17 6.3 14.7 8.3
Benzenoid 10 3.7 18.3 14.6
Primary amine 8 3.0 0.5 2.5
Carboxylic acid ester 5 1.9 1.8 0.1
Aromatic heteropolycyclic compound 4 1.5 9.6 8.2
Secondary alcohol 4 1.5 7.7 6.2
Oxacycle 4 1.5 7.9 6.4
Heteroaromatic compound 2 0.7 5.8 5.0

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_470 419.2650 419.2650 None 0.454 0.975
document_428 418.8240 418.8240 None 0.388 0.966
document_566 421.2420 421.2420 None 0.388 0.959
document_1340 447.2460 447.2460 None 0.351 0.970
document_1112 435.2600 435.2600 None 0.337 0.968
document_1286 443.8120 443.8120 None 0.325 0.949
document_2015 495.2900 495.2900 None 0.321 0.958
document_32 401.2550 401.2550 None 0.292 0.962
document_43 401.3580 401.3580 None 0.280 0.955
document_403 415.8210 415.8210 None 0.277 0.950
document_393 416.5060 416.5060 None 0.267 0.971
document_1337 447.2060 447.2060 None 0.252 0.952
document_1020 432.1920 432.1920 None 0.250 0.957
document_1778 477.3070 477.3070 None 0.235 0.956
document_3083 587.3020 587.3020 None 0.232 0.963
document_46 401.2470 401.2470 None 0.221 0.952
document_1217 441.3000 441.3000 None 0.220 0.959
document_1723 473.2920 473.2920 None 0.206 0.955
document_1479 458.5950 458.5950 None 0.206 0.961
document_1435 458.2250 458.2250 None 0.203 0.963
document_390 416.9680 416.9680 None 0.195 0.949
document_2218 505.9940 505.9940 None 0.193 0.965
document_1483 458.0550 458.0550 None 0.189 0.959
document_1505 459.4010 459.4010 None 0.188 0.945
document_1227 444.2250 444.2250 None 0.181 0.962
document_1888 486.2460 486.2460 None 0.180 0.961
document_241 412.0830 412.0830 None 0.180 0.958
document_2079 498.3280 498.3280 None 0.179 0.961
document_392 415.2690 415.2690 None 0.178 0.962
document_2204 504.2670 504.2670 None 0.175 0.957
document_79 401.2730 401.2730 None 0.173 0.958
document_1459 458.3830 458.3830 None 0.172 0.954
document_28 401.2950 401.2950 None 0.170 0.975
document_2806 561.9840 561.9840 None 0.170 0.963
document_130 403.2550 403.2550 None 0.169 0.964
document_1961 491.2120 491.2120 None 0.169 0.961
document_67 401.2480 401.2480 None 0.168 0.951
document_831 431.0400 431.0400 None 0.167 0.963
document_730 427.0740 427.0740 None 0.164 0.959
document_2381 518.2780 518.2780 None 0.163 0.957
document_838 429.2990 429.2990 None 0.163 0.964
document_584 421.2320 421.2320 None 0.161 0.958
document_421 418.1670 418.1670 None 0.161 0.959
document_3353 613.2480 613.2480 None 0.159 0.959
document_2756 556.2960 556.2960 None 0.159 0.956
document_3352 613.2480 613.2480 None 0.158 0.959
document_1315 444.2910 444.2910 None 0.158 0.945
document_2923 570.0970 570.0970 None 0.157 0.959
document_2936 570.7160 570.7160 None 0.155 0.963
document_2714 552.2860 552.2860 None 0.152 0.952
document_1323 447.6760 447.6760 None 0.152 0.961
document_3868 663.8630 663.8630 None 0.152 0.955
document_707 426.4290 426.4290 None 0.151 0.950
document_31 401.2640 401.2640 None 0.145 0.958
document_30 401.2660 401.2660 None 0.144 0.952
document_1437 456.2570 456.2570 None 0.143 0.958
document_4333 694.2650 694.2650 None 0.142 0.959
document_304 413.2150 413.2150 None 0.141 0.953
document_2080 498.3280 498.3280 None 0.141 0.959
document_2967 575.2780 575.2780 None 0.141 0.956
document_3205 598.2220 598.2220 None 0.140 0.961
document_26 401.2820 401.2820 None 0.140 0.956
document_2611 542.3110 542.3110 None 0.139 0.961
document_1926 489.7330 489.7330 None 0.138 0.961
document_3048 584.3080 584.3080 None 0.136 0.953
document_824 429.2460 429.2460 None 0.136 0.951
document_1312 444.2500 444.2500 None 0.134 0.958
document_127 403.2460 403.2460 None 0.134 0.955
document_418 417.2240 417.2240 None 0.134 0.952
document_23 400.7160 400.7160 None 0.132 0.958
document_469 419.2660 419.2660 None 0.130 0.958
document_2814 562.8280 562.8280 None 0.130 0.958
document_410 416.5220 416.5220 None 0.129 0.945
document_1169 441.9840 441.9840 None 0.128 0.962
document_2354 515.2500 515.2500 None 0.127 0.956
document_306 413.2330 413.2330 None 0.127 0.963
document_3350 613.2480 613.2480 None 0.126 0.958
document_1677 471.5050 471.5050 None 0.125 0.962
document_333 413.2440 413.2440 None 0.125 0.963
document_319 413.2340 413.2340 None 0.124 0.959
document_1014 431.2500 431.2500 None 0.124 0.961
document_84 401.2850 401.2850 None 0.123 0.956
document_4095 684.0660 684.0660 Lomaiviticin A 0.123 0.959
document_2042 497.2180 497.2180 None 0.123 0.957
document_273 413.2210 413.2210 None 0.123 0.951
document_270 413.2130 413.2130 None 0.122 0.963
document_2732 554.2840 554.2840 None 0.122 0.962
document_2223 507.5400 507.5400 None 0.121 0.952
document_1021 432.7250 432.7250 None 0.121 0.952
document_1982 493.2780 493.2780 None 0.119 0.958
document_2965 573.8100 573.8100 None 0.118 0.960
document_735 429.5200 429.5200 None 0.118 0.948
document_798 429.1800 429.1800 None 0.117 0.958
document_2774 557.3280 557.3280 None 0.117 0.965
document_3406 618.3000 618.3000 None 0.116 0.952
document_292 413.2320 413.2320 None 0.115 0.968
document_739 427.2070 427.2070 None 0.113 0.959
document_3339 613.2480 613.2480 None 0.112 0.959
document_1455 458.0100 458.0100 None 0.110 0.970
document_1557 463.2650 463.2650 None 0.110 0.953
document_1998 495.2410 495.2410 None 0.108 0.947
document_272 413.2100 413.2100 None 0.108 0.965
document_405 415.2900 415.2900 None 0.107 0.952
document_3481 628.3090 628.3090 None 0.107 0.961
document_3344 613.2480 613.2480 None 0.106 0.959
document_1310 443.3340 443.3340 None 0.106 0.958
document_3872 664.3880 664.3880 None 0.106 0.959
document_3357 613.3510 613.3510 None 0.105 0.975
document_467 419.2640 419.2640 None 0.104 0.957
document_352 413.2630 413.2630 None 0.103 0.963
document_4611 711.2710 711.2710 None 0.103 0.957
document_212 409.1800 409.1800 None 0.103 0.958
document_744 428.8720 428.8720 None 0.103 0.957
document_3340 613.2480 613.2480 None 0.103 0.959
document_1530 461.2620 461.2620 None 0.102 0.959
document_2349 514.2480 514.2480 None 0.102 0.955
document_3338 613.2470 613.2470 None 0.102 0.959
document_2813 562.8180 562.8180 None 0.102 0.963
document_18 400.7330 400.7330 None 0.102 0.959
document_1531 465.1650 465.1650 None 0.101 0.961
document_461 419.4870 419.4870 None 0.101 0.962
document_3813 657.3920 657.3920 None 0.100 0.954
document_1508 459.2800 459.2800 None 0.099 0.956
document_2421 523.2730 523.2730 None 0.099 0.947
document_140 404.1340 404.1340 None 0.098 0.951
document_1923 488.2710 488.2710 None 0.097 0.963
document_4198 690.2760 690.2760 None 0.097 0.959
document_3538 634.4200 634.4200 None 0.097 0.962
document_351 414.1660 414.1660 None 0.096 0.951
document_1701 472.2780 472.2780 None 0.096 0.962
document_1689 471.2820 471.2820 None 0.095 0.951
document_1216 441.3030 441.3030 None 0.095 0.956
document_1443 458.6670 458.6670 None 0.093 0.953
document_1248 443.2020 443.2020 None 0.093 0.956
document_3775 651.3190 651.3190 None 0.092 0.960
document_1480 458.1980 458.1980 None 0.091 0.962
document_5876 1041.9990 1041.9990 None 0.091 0.957
document_404 416.1650 416.1650 None 0.090 0.961
document_4923 729.3600 729.3600 None 0.090 0.963
document_1948 490.2380 490.2380 None 0.090 0.942
document_3289 609.1380 609.1380 None 0.088 0.975
document_399 416.8040 416.8040 None 0.088 0.957
document_2380 518.2820 518.2820 None 0.087 0.945
document_1492 458.2950 458.2950 None 0.087 0.948
document_4661 715.7540 715.7540 None 0.087 0.961
document_1670 469.2440 469.2440 None 0.086 0.958
document_1932 489.2580 489.2580 None 0.086 0.949
document_190 408.1590 408.1590 None 0.086 0.954
document_3003 578.3180 578.3180 None 0.086 0.952
document_24 401.1330 401.1330 None 0.085 0.957
document_1967 491.7910 491.7910 None 0.085 0.961
document_1984 493.3000 493.3000 None 0.084 0.957
document_2365 516.3020 516.3020 None 0.084 0.967
document_80 401.2740 401.2740 None 0.084 0.954
document_1755 478.2090 478.2090 None 0.083 0.963
document_1577 463.2940 463.2940 None 0.083 0.974
document_397 416.5030 416.5030 None 0.083 0.965
document_3342 613.2470 613.2470 None 0.083 0.954
document_1018 431.2500 431.2500 None 0.082 0.959
document_4838 720.5540 720.5540 None 0.082 0.957
document_3347 613.2470 613.2470 None 0.081 0.959
document_266 413.2010 413.2010 None 0.080 0.958
document_401 415.2860 415.2860 None 0.080 0.974
document_2684 550.2740 550.2740 None 0.079 0.954
document_1022 431.9200 431.9200 None 0.079 0.958
document_1114 436.4680 436.4680 None 0.078 0.959
document_381 415.0420 415.0420 None 0.078 0.958
document_2205 504.2680 504.2680 None 0.077 0.936
document_5333 765.7660 765.7660 None 0.077 0.974
document_2477 529.2320 529.2320 None 0.077 0.952
document_2475 528.2640 528.2640 None 0.077 0.958
document_5749 902.3480 902.3480 None 0.076 0.958
document_5486 794.4190 794.4190 None 0.076 0.962
document_2019 496.2760 496.2760 None 0.075 0.965
document_549 421.2310 421.2310 None 0.075 0.959
document_5605 830.8250 830.8250 None 0.074 0.974
document_1795 479.2640 479.2640 None 0.073 0.946
document_2320 514.2200 514.2200 None 0.073 0.962
document_1309 443.3330 443.3330 None 0.073 0.956
document_3378 614.3490 614.3490 None 0.072 0.965
document_3929 671.4140 671.4140 None 0.072 0.957
document_1111 435.2600 435.2600 None 0.072 0.952
document_5484 794.5370 794.5370 None 0.071 0.959
document_5483 794.7130 794.7130 None 0.070 0.961
document_2330 513.6110 513.6110 None 0.070 0.954
document_5673 853.7700 853.7700 None 0.070 0.958
document_5025 735.3310 735.3310 None 0.070 0.956
document_5481 794.7160 794.7160 None 0.070 0.961
document_471 419.2660 419.2660 None 0.070 0.954
document_3710 644.3110 644.3110 None 0.069 0.963
document_5482 794.7800 794.7800 None 0.069 0.963
document_1321 445.2710 445.2710 None 0.068 0.954
document_1744 475.2900 475.2900 None 0.068 0.960
document_1456 457.4610 457.4610 None 0.068 0.960
document_1934 489.3060 489.3060 CYTIDINE 5'-DIPHOSPHOCHOLINE 0.068 0.956
document_210 408.7440 408.7440 None 0.068 0.946
document_2968 575.2780 575.2780 None 0.068 0.956
document_2480 528.3220 528.3220 None 0.067 0.937
document_2265 507.2840 507.2840 None 0.066 0.958
document_5889 1077.5140 1077.5140 None 0.066 0.958
document_804 429.2420 429.2420 None 0.066 0.961
document_3051 584.3650 584.3650 None 0.065 0.961
document_1688 473.2600 473.2600 None 0.065 0.954
document_400 415.2870 415.2870 None 0.064 0.945
document_2772 557.3280 557.3280 None 0.064 0.955
document_1758 476.5910 476.5910 None 0.064 0.954
document_37 401.2170 401.2170 None 0.064 0.953
document_3795 654.1060 654.1060 None 0.063 0.959
document_1738 475.2690 475.2690 None 0.063 0.963
document_385 415.1240 415.1240 None 0.062 0.955
document_33 401.2970 401.2970 None 0.062 0.975
document_3197 597.2880 597.2880 None 0.062 0.957
document_743 427.9210 427.9210 None 0.062 0.956
document_3204 597.8580 597.8580 None 0.062 0.969
document_1279 443.3140 443.3140 None 0.062 0.957
document_419 417.2370 417.2370 None 0.062 0.952
document_1046 433.2620 433.2620 None 0.062 0.955
document_1353 449.2500 449.2500 None 0.061 0.958
document_2491 529.3200 529.3200 None 0.061 0.974
document_4583 708.5360 708.5360 None 0.061 0.959
document_5485 794.6050 794.6050 None 0.061 0.962
document_3697 642.2930 642.2930 None 0.060 0.951
document_38 401.2230 401.2230 None 0.060 0.944
document_4776 718.4760 718.4760 None 0.060 0.959
document_1969 493.0250 493.0250 None 0.060 0.962
document_1015 431.2510 431.2510 None 0.059 0.959
document_3480 628.2990 628.2990 None 0.059 0.957
document_5533 809.2300 809.2300 None 0.059 0.962
document_3925 670.2730 670.2730 Lomaiviticin C 0.059 0.959
document_5661 847.1100 847.1100 None 0.059 0.962
document_5603 830.6040 830.6040 None 0.059 0.961
document_5434 780.5650 780.5650 None 0.059 0.961
document_3923 671.1420 671.1420 None 0.058 0.957
document_2632 545.3030 545.3030 None 0.058 0.956
document_5597 824.6270 824.6270 None 0.058 0.962
document_5332 766.5790 766.5790 None 0.058 0.961
document_5334 766.3000 766.3000 None 0.057 0.962
document_1170 440.2500 440.2500 None 0.057 0.958
document_5595 824.6330 824.6330 None 0.057 0.962
document_1285 443.3250 443.3250 None 0.057 0.959
document_3622 638.4570 638.4570 None 0.056 0.963
document_1069 433.7760 433.7760 None 0.056 0.959
document_1356 449.2380 449.2380 None 0.056 0.961
document_3247 602.5700 602.5700 None 0.056 0.956
document_2366 516.3020 516.3020 None 0.056 0.975
document_5715 880.5880 880.5880 None 0.056 0.962
document_1539 462.2170 462.2170 None 0.056 0.960
document_5607 830.4400 830.4400 None 0.056 0.962
document_1013 431.2500 431.2500 None 0.055 0.944
document_706 425.2700 425.2700 None 0.054 0.958
document_1019 431.2510 431.2510 None 0.054 0.954
document_1971 492.2470 492.2470 None 0.054 0.957
document_1288 443.8980 443.8980 None 0.054 0.962
document_1458 457.2650 457.2650 None 0.054 0.956
document_3260 603.4970 603.4970 None 0.054 0.959
document_2627 545.1060 545.1060 None 0.054 0.959
document_5435 780.3300 780.3300 None 0.054 0.957
document_5544 814.3610 814.3610 None 0.053 0.961
document_546 421.2310 421.2310 None 0.053 0.956
document_1691 473.0800 473.0800 None 0.053 0.958
document_5455 784.8470 784.8470 None 0.053 0.949
document_1432 458.8770 458.8770 None 0.052 0.963
document_5501 798.8930 798.8930 None 0.052 0.956
document_1029 432.2400 432.2400 None 0.051 0.963
document_5243 749.3460 749.3460 None 0.051 0.958
document_3835 659.8140 659.8140 None 0.050 0.956
document_5664 847.0060 847.0060 None 0.050 0.963
document_2683 550.2220 550.2220 None 0.050 0.953

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.