Mass2Motif: motif_135

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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 0.9718258188967286. 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_283.1500 0.691
fragment_284.1500 0.086
fragment_359.2500 0.082
fragment_253.1500 0.016
fragment_360.2500 0.016
fragment_177.0500 0.012
fragment_329.1500 0.011
fragment_315.1500 0.009
fragment_565.5500 0.006
fragment_208.0500 0.006
loss_94.0500 0.005
fragment_208.1500 0.004
fragment_285.1500 0.004
loss_64.0500 0.004
loss_140.8500 0.003
loss_139.8500 0.003
loss_137.8500 0.003
fragment_325.2500 0.002
fragment_627.3500 0.001
fragment_288.9500 0.001
fragment_360.1500 0.001
fragment_521.2500 0.001
fragment_364.2500 0.001
fragment_345.0500 0.001
fragment_345.1500 0.001

Counts of Classyfire Substituent terms

Term name Count in motif Percentage in motif Percentage in experiment Absolute difference
Hydrocarbon derivative 165 100 100 0
Organooxygen compound 164 99.4 95.3 4.1
Benzenoid 109 66.1 18.3 47.7
Aromatic heteropolycyclic compound 77 46.7 9.6 37.0
Organic nitrogen compound 63 38.2 55.6 17.5
Organonitrogen compound 36 21.8 54.1 32.3
Organopnictogen compound 30 18.2 45.2 27.1
Heteroaromatic compound 29 17.6 5.8 11.8
Oxacycle 21 12.7 7.9 4.8
Carbonyl group 16 9.7 44.0 34.3
Azacycle 15 9.1 22.6 13.5
Organoheterocyclic compound 12 7.3 13.3 6.0
Alcohol 12 7.3 14.7 7.4
Secondary alcohol 6 3.6 7.7 4.1
Carboxamide group 3 1.8 5.5 3.7
1-benzopyran 2 1.2 0.1 1.1
Amine 2 1.2 4.4 3.2
1-hydroxy-2-unsubstituted benzenoid 1 0.6 1.3 0.7
Chromone 1 0.6 0.0 0.6
Pyran 1 0.6 0.1 0.5
Oxane 1 0.6 1.9 1.3
O-glycosyl compound 1 0.6 1.2 0.6
Polyol 1 0.6 1.6 1.0
Acetal 1 0.6 1.5 0.8
Primary alcohol 1 0.6 0.9 0.3

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_4993 733.3410 733.3410 None 0.869 0.892
document_4827 719.4250 719.4250 None 0.858 0.802
document_3489 629.3460 629.3460 None 0.780 0.826
document_4537 705.3990 705.3990 None 0.775 0.922
document_5027 735.4080 735.4080 None 0.769 0.930
document_4544 705.3980 705.3980 None 0.760 0.892
document_4486 703.3810 703.3810 None 0.758 0.895
document_4542 705.4010 705.4010 None 0.752 0.881
document_4539 705.3980 705.3980 None 0.745 0.911
document_4495 705.3940 705.3940 None 0.743 0.939
document_4482 703.3800 703.3800 None 0.699 0.874
document_2591 541.1950 541.1950 None 0.697 0.778
document_4457 703.3580 703.3580 None 0.689 0.934
document_4491 703.3830 703.3830 None 0.666 0.886
document_4399 703.4750 703.4750 None 0.656 0.928
document_4540 705.3990 705.3990 None 0.648 0.920
document_4161 688.3790 688.3790 None 0.643 0.728
document_2619 543.2710 543.2710 None 0.637 0.781
document_3845 661.3720 661.3720 None 0.635 0.827
document_4285 691.3810 691.3810 None 0.624 0.909
document_4485 703.3810 703.3810 None 0.620 0.880
document_4541 705.3990 705.3990 None 0.610 0.891
document_4288 691.3840 691.3840 None 0.606 0.945
document_4545 705.4010 705.4010 None 0.605 0.783
document_3941 673.3700 673.3700 None 0.596 0.924
document_3491 629.3460 629.3460 None 0.584 0.783
document_4546 705.3990 705.3990 None 0.581 0.788
document_4492 705.3870 705.3870 None 0.568 0.934
document_3819 660.5030 660.5030 None 0.561 0.912
document_4286 691.3820 691.3820 None 0.551 0.922
document_4481 703.5700 703.5700 None 0.550 0.915
document_3948 673.3790 673.3790 None 0.545 0.887
document_2958 573.3220 573.3220 None 0.521 0.821
document_3828 659.3570 659.3570 None 0.509 0.902
document_3259 603.3300 603.3300 None 0.505 0.817
document_3747 647.3550 647.3550 None 0.482 0.921
document_4490 703.3830 703.3830 None 0.475 0.898
document_4489 703.3860 703.3860 None 0.449 0.881
document_3752 647.3600 647.3600 None 0.443 0.881
document_4287 691.3800 691.3800 None 0.438 0.805
document_4477 703.3540 703.3540 None 0.434 0.839
document_3829 661.3590 661.3590 None 0.430 0.929
document_4484 703.3800 703.3800 None 0.415 0.882
document_2605 541.2940 541.2940 None 0.401 0.797
document_3721 645.2730 645.2730 None 0.380 0.727
document_3390 617.0920 617.0920 None 0.365 0.897
document_4658 715.4210 715.4210 None 0.365 0.813
document_4488 703.3840 703.3840 None 0.363 0.805
document_4538 705.3980 705.3980 None 0.340 0.908
document_5851 987.5420 987.5420 None 0.339 0.925
document_3383 615.3300 615.3300 None 0.339 0.811
document_4543 705.3990 705.3990 None 0.323 0.801
document_3846 661.3720 661.3720 None 0.314 0.744
document_4400 702.4680 702.4680 None 0.309 0.790
document_4393 703.6900 703.6900 None 0.295 0.847
document_3132 591.2460 591.2460 None 0.272 0.776
document_3490 629.3460 629.3460 None 0.271 0.789
document_4476 703.3620 703.3620 None 0.271 0.794
document_3401 617.3460 617.3460 None 0.267 0.728
document_4483 703.3800 703.3800 None 0.263 0.811
document_3063 585.3200 585.3200 None 0.259 0.898
document_3750 647.3560 647.3560 None 0.248 0.716
document_4972 732.6290 732.6290 None 0.240 0.898
document_1816 481.2600 481.2600 None 0.226 0.820
document_3723 645.2720 645.2720 None 0.214 0.788
document_4362 697.3660 697.3660 None 0.208 0.691
document_4133 683.4690 683.4690 None 0.208 0.695
document_1771 477.2020 477.2020 None 0.204 0.777
document_4493 705.2270 705.2270 None 0.204 0.924
document_1386 451.2500 451.2500 None 0.199 0.807
document_3949 673.3770 673.3770 None 0.187 0.876
document_3472 627.2630 627.2630 None 0.175 0.692
document_5417 774.6790 774.6790 None 0.172 0.777
document_4551 705.3990 705.3990 None 0.167 0.791
document_1473 457.7520 457.7520 None 0.166 0.803
document_2492 529.2930 529.2930 None 0.151 0.706
document_2638 545.4010 545.4010 None 0.147 0.901
document_4487 703.3830 703.3830 None 0.144 0.811
document_4494 703.3850 703.3850 None 0.143 0.793
document_3064 585.3210 585.3210 None 0.142 0.689
document_2269 507.3050 507.3050 None 0.141 0.799
document_654 421.2370 421.2370 None 0.138 0.808
document_4547 705.4000 705.4000 None 0.138 0.814
document_4290 691.6330 691.6330 None 0.134 0.788
document_842 429.3180 429.3180 None 0.128 0.781
document_4514 704.4660 704.4660 None 0.126 0.814
document_2249 506.5280 506.5280 None 0.123 0.777
document_4394 703.2310 703.2310 None 0.122 0.890
document_2441 525.2980 525.2980 None 0.121 0.691
document_635 421.2340 421.2340 None 0.120 0.817
document_4552 705.4000 705.4000 None 0.119 0.874
document_1604 465.2300 465.2300 None 0.118 0.691
document_4478 703.4980 703.4980 None 0.116 0.805
document_1758 476.5910 476.5910 None 0.116 0.788
document_1414 455.3860 455.3860 None 0.114 0.777
document_4548 705.3990 705.3990 None 0.111 0.803
document_2185 502.3680 502.3680 None 0.110 0.098
document_648 421.2380 421.2380 None 0.110 0.819
document_2405 521.3300 521.3300 None 0.107 0.799
document_433 421.2020 421.2020 None 0.107 0.817
document_599 421.2320 421.2320 None 0.106 0.688
document_658 421.2390 421.2390 None 0.103 0.698
document_662 421.2410 421.2410 None 0.101 0.788
document_2388 519.2840 519.2840 None 0.099 0.720
document_651 421.2390 421.2390 None 0.099 0.810
document_660 421.2430 421.2430 None 0.098 0.825
document_552 421.2370 421.2370 None 0.098 0.897
document_3493 629.3490 629.3490 None 0.097 0.684
document_1871 485.2900 485.2900 None 0.097 0.690
document_636 421.2350 421.2350 None 0.096 0.823
document_507 419.3140 419.3140 None 0.096 0.787
document_634 421.2390 421.2390 None 0.095 0.827
document_2034 497.1380 497.1380 None 0.095 0.777
document_655 421.2370 421.2370 None 0.094 0.820
document_426 421.2110 421.2110 None 0.093 0.816
document_4987 732.5470 732.5470 None 0.092 0.795
document_972 430.9150 430.9150 None 0.091 0.701
document_621 421.2370 421.2370 None 0.091 0.821
document_593 421.2390 421.2390 None 0.090 0.807
document_1374 450.3810 450.3810 None 0.090 0.777
document_649 421.2410 421.2410 None 0.088 0.821
document_625 421.2370 421.2370 None 0.088 0.821
document_733 427.2450 427.2450 None 0.087 0.693
document_1551 463.2860 463.2860 None 0.087 0.816
document_624 421.2330 421.2330 None 0.085 0.815
document_3946 673.3730 673.3730 None 0.084 0.805
document_653 421.2380 421.2380 None 0.082 0.725
document_3036 583.3390 583.3390 None 0.080 0.777
document_437 418.2650 418.2650 None 0.077 0.701
document_985 430.9130 430.9130 None 0.076 0.697
document_2026 496.3630 496.3630 None 0.076 0.773
document_427 419.3710 419.3710 None 0.075 0.732
document_643 421.2350 421.2350 None 0.074 0.725
document_4550 705.4000 705.4000 None 0.074 0.709
document_661 421.2400 421.2400 None 0.072 0.793
document_650 421.2360 421.2360 None 0.070 0.725
document_2905 568.6350 568.6350 None 0.070 0.777
document_638 421.2400 421.2400 None 0.070 0.808
document_2512 531.3850 531.3850 None 0.069 0.716
document_3921 669.4480 669.4480 None 0.068 0.691
document_2511 531.3840 531.3840 None 0.068 0.696
document_807 429.2420 429.2420 None 0.067 0.706
document_457 419.2880 419.2880 None 0.067 0.697
document_4535 705.3860 705.3860 None 0.066 0.790
document_633 421.2360 421.2360 None 0.064 0.823
document_1054 433.2800 433.2800 None 0.061 0.811
document_1065 433.2800 433.2800 None 0.061 0.819
document_1055 433.2750 433.2750 None 0.060 0.723
document_1748 475.3240 475.3240 None 0.059 0.731
document_3151 594.8230 594.8230 None 0.058 0.691
document_3335 613.0740 613.0740 None 0.057 0.705
document_436 419.8610 419.8610 None 0.056 0.799
document_663 421.3010 421.3010 None 0.056 0.725
document_949 430.9130 430.9130 None 0.056 0.720
document_1061 433.2770 433.2770 None 0.056 0.724
document_2467 527.3150 527.3150 None 0.055 0.767
document_1063 433.2770 433.2770 None 0.055 0.719
document_2493 529.2930 529.2930 None 0.054 0.691
document_482 419.2770 419.2770 None 0.054 0.701
document_3241 601.3540 601.3540 None 0.053 0.691
document_3724 645.2730 645.2730 None 0.053 0.692
document_4736 716.4490 716.4490 None 0.052 0.688
document_1064 433.2780 433.2780 None 0.051 0.821
document_1062 433.2810 433.2810 None 0.051 0.736
document_974 430.9140 430.9140 None 0.050 0.739

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.