Mass2Motif: motif_40

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: 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 0.9819883967516092. 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_207.0500 0.929
fragment_208.0500 0.028
fragment_208.1500 0.017
loss_193.2500 0.003
fragment_283.1500 0.002
fragment_297.2500 0.001
fragment_253.1500 0.001

Counts of Classyfire Substituent terms

Term name Count in motif Percentage in motif Percentage in experiment Absolute difference
Hydrocarbon derivative 230 100 100 0
Organooxygen compound 228 99.1 95.3 3.8
Benzenoid 144 62.6 18.3 44.3
Aromatic heteropolycyclic compound 112 48.7 9.6 39.0
Organic nitrogen compound 72 31.3 55.6 24.3
Heteroaromatic compound 42 18.3 5.8 12.5
Organonitrogen compound 39 17.0 54.1 37.2
Organopnictogen compound 36 15.7 45.2 29.6
Oxacycle 28 12.2 7.9 4.3
Carbonyl group 18 7.8 44.0 36.2
Azacycle 14 6.1 22.6 16.5
Alcohol 12 5.2 14.7 9.4
Organoheterocyclic compound 11 4.8 13.3 8.5
Secondary alcohol 5 2.2 7.7 5.5
Amine 1 0.4 4.4 3.9
1-hydroxy-2-unsubstituted benzenoid 1 0.4 1.3 0.8
Chromone 1 0.4 0.0 0.4
1-benzopyran 1 0.4 0.1 0.3
Pyran 1 0.4 0.1 0.3
Oxane 1 0.4 1.9 1.5
O-glycosyl compound 1 0.4 1.2 0.8
Polyol 1 0.4 1.6 1.2
Acetal 1 0.4 1.5 1.0
Carboxylic acid ester 1 0.4 1.8 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_1754 475.3800 475.3800 None 0.603 0.957
document_1753 475.3790 475.3790 None 0.463 0.956
document_1386 451.2500 451.2500 None 0.379 0.961
document_1750 475.3570 475.3570 None 0.352 0.929
document_427 419.3710 419.3710 None 0.348 0.948
document_634 421.2390 421.2390 None 0.337 0.961
document_506 419.2800 419.2800 None 0.336 0.929
document_653 421.2380 421.2380 None 0.336 0.952
document_5028 735.4100 735.4100 None 0.334 0.957
document_651 421.2390 421.2390 None 0.333 0.951
document_621 421.2370 421.2370 None 0.325 0.950
document_2605 541.2940 541.2940 None 0.321 0.959
document_1816 481.2600 481.2600 None 0.315 0.949
document_433 421.2020 421.2020 None 0.314 0.961
document_625 421.2370 421.2370 None 0.313 0.950
document_552 421.2370 421.2370 None 0.312 0.950
document_2405 521.3300 521.3300 None 0.309 0.924
document_4545 705.4010 705.4010 None 0.309 0.949
document_635 421.2340 421.2340 None 0.306 0.961
document_434 418.8080 418.8080 None 0.305 0.950
document_648 421.2380 421.2380 None 0.302 0.950
document_426 421.2110 421.2110 None 0.301 0.961
document_650 421.2360 421.2360 None 0.299 0.961
document_593 421.2390 421.2390 None 0.296 0.950
document_3493 629.3490 629.3490 None 0.295 0.932
document_1056 433.2760 433.2760 None 0.293 0.961
document_2638 545.4010 545.4010 None 0.293 0.961
document_3491 629.3460 629.3460 None 0.293 0.932
document_4491 703.3830 703.3830 None 0.293 0.933
document_643 421.2350 421.2350 None 0.289 0.961
document_633 421.2360 421.2360 None 0.289 0.961
document_3941 673.3700 673.3700 None 0.282 0.961
document_655 421.2370 421.2370 None 0.281 0.961
document_3819 660.5030 660.5030 None 0.269 0.941
document_661 421.2400 421.2400 None 0.265 0.942
document_3828 659.3570 659.3570 None 0.262 0.949
document_4540 705.3990 705.3990 None 0.262 0.944
document_183 407.2240 407.2240 None 0.259 0.957
document_4476 703.3620 703.3620 None 0.253 0.959
document_3259 603.3300 603.3300 None 0.252 0.947
document_4550 705.4000 705.4000 None 0.251 0.960
document_3943 673.2710 673.2710 None 0.247 0.957
document_657 421.2360 421.2360 None 0.247 0.950
document_1058 433.2760 433.2760 None 0.246 0.959
document_3845 661.3720 661.3720 None 0.245 0.953
document_505 419.2790 419.2790 None 0.245 0.929
document_4492 705.3870 705.3870 None 0.244 0.950
document_2958 573.3220 573.3220 None 0.240 0.950
document_1049 433.2760 433.2760 None 0.239 0.961
document_550 421.2310 421.2310 None 0.239 0.947
document_654 421.2370 421.2370 None 0.239 0.961
document_658 421.2390 421.2390 None 0.236 0.932
document_4485 703.3810 703.3810 None 0.234 0.959
document_662 421.2410 421.2410 None 0.233 0.949
document_4549 705.3990 705.3990 None 0.232 0.957
document_4543 705.3990 705.3990 None 0.232 0.959
document_545 421.2310 421.2310 None 0.232 0.929
document_4481 703.5700 703.5700 None 0.230 0.961
document_1051 433.2760 433.2760 None 0.230 0.961
document_154 407.0110 407.0110 None 0.228 0.946
document_2270 507.3030 507.3030 None 0.228 0.931
document_1064 433.2780 433.2780 None 0.226 0.950
document_4493 705.2270 705.2270 None 0.226 0.958
document_3946 673.3730 673.3730 None 0.225 0.959
document_1053 433.2760 433.2760 None 0.224 0.961
document_2345 513.3740 513.3740 None 0.223 0.950
document_4482 703.3800 703.3800 None 0.220 0.932
document_659 421.2360 421.2360 None 0.220 0.927
document_3383 615.3300 615.3300 None 0.219 0.926
document_667 422.1860 422.1860 None 0.219 0.957
document_1551 463.2860 463.2860 None 0.219 0.950
document_4393 703.6900 703.6900 None 0.217 0.954
document_1048 433.2760 433.2760 None 0.213 0.961
document_4477 703.3540 703.3540 None 0.213 0.961
document_1047 433.2770 433.2770 None 0.211 0.950
document_4488 703.3840 703.3840 None 0.211 0.959
document_4486 703.3810 703.3810 None 0.210 0.949
document_1054 433.2800 433.2800 None 0.210 0.950
document_4489 703.3860 703.3860 None 0.208 0.949
document_904 430.9100 430.9100 None 0.207 0.923
document_4544 705.3980 705.3980 None 0.206 0.947
document_663 421.3010 421.3010 None 0.206 0.961
document_638 421.2400 421.2400 None 0.204 0.961
document_1065 433.2800 433.2800 None 0.203 0.950
document_4495 705.3940 705.3940 None 0.198 0.954
document_4541 705.3990 705.3990 None 0.198 0.941
document_985 430.9130 430.9130 None 0.197 0.932
document_4394 703.2310 703.2310 None 0.196 0.957
document_2346 513.3740 513.3740 None 0.195 0.947
document_459 420.3370 420.3370 None 0.195 0.947
document_974 430.9140 430.9140 None 0.194 0.961
document_457 419.2880 419.2880 None 0.194 0.931
document_4457 703.3580 703.3580 None 0.190 0.950
document_4487 703.3830 703.3830 None 0.188 0.949
document_954 430.9130 430.9130 None 0.188 0.925
document_530 421.2010 421.2010 None 0.187 0.948
document_2269 507.3050 507.3050 None 0.187 0.933
document_4483 703.3800 703.3800 None 0.186 0.932
document_1059 433.2760 433.2760 None 0.186 0.950
document_3721 645.2730 645.2730 None 0.183 0.933
document_4534 705.3440 705.3440 None 0.182 0.929
document_4399 703.4750 703.4750 None 0.181 0.943
document_666 422.1820 422.1820 None 0.181 0.947
document_2184 501.3660 501.3660 None 0.179 0.931
document_157 405.9570 405.9570 None 0.177 0.929
document_1061 433.2770 433.2770 None 0.177 0.933
document_1057 433.2750 433.2750 None 0.176 0.933
document_5027 735.4080 735.4080 None 0.173 0.942
document_4537 705.3990 705.3990 None 0.170 0.960
document_3063 585.3200 585.3200 None 0.168 0.933
document_4538 705.3980 705.3980 None 0.165 0.954
document_435 419.0380 419.0380 None 0.164 0.932
document_1055 433.2750 433.2750 None 0.162 0.933
document_668 422.1900 422.1900 None 0.162 0.945
document_436 419.8610 419.8610 None 0.160 0.929
document_5870 1041.4860 1041.4860 None 0.160 0.929
document_1052 433.2760 433.2760 None 0.160 0.950
document_3401 617.3460 617.3460 None 0.159 0.933
document_4551 705.3990 705.3990 None 0.158 0.949
document_656 421.2360 421.2360 None 0.157 0.953
document_4161 688.3790 688.3790 None 0.157 0.927
document_944 430.9140 430.9140 None 0.156 0.961
document_4535 705.3860 705.3860 None 0.156 0.959
document_4288 691.3840 691.3840 None 0.156 0.953
document_509 419.3140 419.3140 None 0.155 0.929
document_3064 585.3210 585.3210 None 0.155 0.932
document_844 430.9090 430.9090 None 0.155 0.933
document_158 405.2440 405.2440 None 0.155 0.933
document_609 421.2320 421.2320 None 0.152 0.929
document_184 407.2230 407.2230 None 0.151 0.947
document_532 421.1700 421.1700 None 0.150 0.953
document_4494 703.3850 703.3850 None 0.149 0.959
document_4552 705.4000 705.4000 None 0.141 0.959
document_1716 473.2310 473.2310 None 0.137 0.929
document_949 430.9130 430.9130 None 0.136 0.961
document_3390 617.0920 617.0920 None 0.135 0.933
document_5278 757.3680 757.3680 None 0.135 0.929
document_917 430.9130 430.9130 None 0.133 0.933
document_2510 531.3850 531.3850 None 0.131 0.930
document_525 421.2000 421.2000 None 0.130 0.949
document_4286 691.3820 691.3820 None 0.129 0.933
document_488 419.2760 419.2760 None 0.128 0.957
document_4289 691.3830 691.3830 None 0.128 0.931
document_4548 705.3990 705.3990 None 0.128 0.933
document_448 419.1520 419.1520 None 0.128 0.931
document_3747 647.3550 647.3550 None 0.126 0.924
document_460 419.8910 419.8910 None 0.126 0.929
document_3829 661.3590 661.3590 None 0.125 0.926
document_4285 691.3810 691.3810 None 0.122 0.961
document_1050 433.2740 433.2740 None 0.120 0.931
document_2511 531.3840 531.3840 None 0.118 0.931
document_504 420.1530 420.1530 None 0.113 0.931
document_3942 673.3250 673.3250 None 0.113 0.929
document_4287 691.3800 691.3800 None 0.112 0.932
document_2221 505.3460 505.3460 None 0.112 0.933
document_2388 519.2840 519.2840 None 0.111 0.950
document_2547 535.3080 535.3080 None 0.111 0.932
document_889 430.7120 430.7120 None 0.111 0.961
document_4401 702.9390 702.9390 None 0.110 0.932
document_4490 703.3830 703.3830 None 0.110 0.932
document_5281 757.2830 757.2830 None 0.110 0.929
document_846 430.0400 430.0400 None 0.110 0.929
document_1693 474.9670 474.9670 None 0.110 0.933
document_1731 474.6890 474.6890 None 0.110 0.931
document_51 401.2470 401.2470 None 0.109 0.929
document_1748 475.3240 475.3240 None 0.109 0.950
document_4993 733.3410 733.3410 None 0.108 0.949
document_4514 704.4660 704.4660 None 0.108 0.950
document_1746 475.3230 475.3230 Loperamide hydrochloride 0.105 0.948
document_430 419.0270 419.0270 None 0.104 0.931
document_2512 531.3850 531.3850 None 0.104 0.933
document_61 401.2480 401.2480 None 0.103 0.929
document_4973 732.5490 732.5490 None 0.102 0.932
document_511 419.3140 419.3140 None 0.102 0.932
document_3949 673.3770 673.3770 None 0.102 0.949
document_472 419.2680 419.2680 None 0.099 0.929
document_5851 987.5420 987.5420 None 0.099 0.961
document_3723 645.2720 645.2720 None 0.098 0.926
document_53 401.2480 401.2480 None 0.096 0.957
document_972 430.9150 430.9150 None 0.096 0.931
document_65 401.2470 401.2470 None 0.094 0.923
document_1388 451.3040 451.3040 None 0.093 0.929
document_2624 543.3290 543.3290 None 0.093 0.961
document_4838 720.5540 720.5540 None 0.092 0.929
document_893 430.8300 430.8300 None 0.091 0.933
document_56 401.2470 401.2470 None 0.091 0.929
document_483 419.2760 419.2760 None 0.089 0.931
document_429 419.2110 419.2110 None 0.088 0.948
document_4478 703.4980 703.4980 None 0.088 0.927
document_4135 684.2020 684.2020 None 0.088 0.957
document_1253 443.2280 443.2280 None 0.087 0.928
document_510 419.3140 419.3140 None 0.087 0.949
document_3846 661.3720 661.3720 None 0.086 0.959
document_2492 529.2930 529.2930 None 0.084 0.932
document_4547 705.4000 705.4000 None 0.083 0.953
document_1219 443.1050 443.1050 None 0.081 0.929
document_594 421.2320 421.2320 None 0.081 0.929
document_1860 485.2700 485.2700 None 0.081 0.922
document_1552 463.2760 463.2760 None 0.079 0.925
document_1273 443.2490 443.2490 None 0.079 0.929
document_480 419.2760 419.2760 None 0.077 0.925
document_978 430.9130 430.9130 None 0.076 0.929
document_469 419.2660 419.2660 None 0.076 0.929
document_1076 435.2040 435.2040 None 0.075 0.929
document_599 421.2320 421.2320 None 0.075 0.931
document_449 419.3770 419.3770 None 0.074 0.926
document_4889 727.3690 727.3690 None 0.074 0.929
document_4903 727.3830 727.3830 None 0.073 0.929
document_4387 701.3160 701.3160 None 0.070 0.931
document_5351 766.5300 766.5300 None 0.069 0.929
document_437 418.2650 418.2650 None 0.069 0.931
document_1256 443.2760 443.2760 None 0.067 0.927
document_13 401.1760 401.1760 None 0.067 0.931
document_4609 711.4000 711.4000 None 0.067 0.929
document_5873 1041.5501 1041.5501 None 0.066 0.929
document_2 307.3020 307.3020 None 0.066 0.929
document_479 419.2760 419.2760 None 0.066 0.929
document_491 419.2770 419.2770 None 0.063 0.929
document_1018 431.2500 431.2500 None 0.061 0.931
document_5008 734.4070 734.4070 None 0.061 0.931
document_450 419.0340 419.0340 None 0.060 0.947
document_482 419.2770 419.2770 None 0.059 0.931
document_4115 684.0980 684.0980 None 0.056 0.957
document_48 401.2490 401.2490 None 0.054 0.929
document_523 420.7350 420.7350 None 0.053 0.923
document_646 421.2370 421.2370 None 0.053 0.957
document_2818 563.2880 563.2880 None 0.052 0.929
document_2183 501.3530 501.3530 None 0.051 0.929
document_2495 529.4080 529.4080 None 0.051 0.931
document_444 418.8370 418.8370 None 0.051 0.929

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.