Mass2Motif: motif_273

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 0.9744254632632569. 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_226.9500 0.510
fragment_362.9500 0.223
fragment_430.9500 0.132
fragment_294.9500 0.053
fragment_227.9500 0.015
fragment_363.9500 0.013
fragment_431.9500 0.010
fragment_364.9500 0.006
fragment_228.9500 0.003
fragment_146.7500 0.002
fragment_432.9500 0.002
fragment_194.9500 0.002
fragment_404.9500 0.002
fragment_431.8500 0.001

Counts of Classyfire Substituent terms

Term name Count in motif Percentage in motif Percentage in experiment Absolute difference
Hydrocarbon derivative 292 100 100 0
Organooxygen compound 291 99.7 95.3 4.3
Organic nitrogen compound 242 82.9 55.6 27.2
Organonitrogen compound 236 80.8 54.1 26.7
Organopnictogen compound 197 67.5 45.2 22.2
Carbonyl group 185 63.4 44.0 19.3
Benzenoid 86 29.5 18.3 11.1
Azacycle 46 15.8 22.6 6.9
Alcohol 26 8.9 14.7 5.8
Secondary alcohol 16 5.5 7.7 2.2
Aromatic heteropolycyclic compound 14 4.8 9.6 4.9
Organoheterocyclic compound 11 3.8 13.3 9.6
Oxacycle 11 3.8 7.9 4.1
Amine 9 3.1 4.4 1.3
Carboxamide group 5 1.7 5.5 3.8
O-glycosyl compound 3 1.0 1.2 0.2
Oxane 2 0.7 1.9 1.2
Polyol 1 0.3 1.6 1.2
Carboxylic acid ester 1 0.3 1.8 1.5
Heteroaromatic compound 1 0.3 5.8 5.4
1-hydroxy-2-unsubstituted benzenoid 1 0.3 1.3 0.9
Phenol 1 0.3 0.5 0.1
Aliphatic acyclic compound 1 0.3 2.9 2.6
Acetal 1 0.3 1.5 1.1

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_4451 702.8630 702.8630 None 1.000 0.954
document_4446 702.8620 702.8620 None 0.995 0.951
document_4452 702.8630 702.8630 None 0.994 0.946
document_4461 702.8630 702.8630 None 0.992 0.931
document_4444 702.8630 702.8630 None 0.991 0.964
document_4421 702.8620 702.8620 None 0.985 0.945
document_4435 702.8630 702.8630 None 0.976 0.966
document_4450 702.8620 702.8620 None 0.973 0.949
document_5630 838.8340 838.8340 MS_Contaminant_Sodium_Formate_Cluster 0.960 0.927
document_4439 702.8620 702.8620 None 0.952 0.936
document_5409 771.1400 771.1400 None 0.951 0.889
document_4449 702.8630 702.8630 None 0.945 0.963
document_4459 702.8630 702.8630 None 0.942 0.823
document_5407 771.0200 771.0200 None 0.940 0.940
document_4410 702.8540 702.8540 None 0.940 0.918
document_4404 702.8620 702.8620 None 0.936 0.967
document_3575 634.8760 634.8760 None 0.936 0.956
document_5380 770.8470 770.8470 None 0.933 0.921
document_4460 702.8630 702.8630 None 0.928 0.956
document_4436 702.8630 702.8630 None 0.926 0.962
document_5404 770.8510 770.8510 None 0.923 0.887
document_4423 702.8620 702.8620 None 0.921 0.940
document_4445 702.8620 702.8620 None 0.916 0.930
document_3559 634.8760 634.8760 None 0.913 0.956
document_4426 702.8610 702.8610 None 0.911 0.931
document_3585 634.8830 634.8830 None 0.909 0.946
document_5376 771.0050 771.0050 None 0.907 0.904
document_5379 770.8470 770.8470 None 0.905 0.933
document_4407 702.8540 702.8540 None 0.903 0.933
document_4464 702.8620 702.8620 None 0.895 0.959
document_4469 702.8640 702.8640 None 0.892 0.959
document_3558 634.8750 634.8750 None 0.889 0.938
document_4432 702.8630 702.8630 None 0.889 0.944
document_4462 702.8630 702.8630 None 0.886 0.961
document_3576 634.8760 634.8760 None 0.884 0.949
document_5390 770.9630 770.9630 None 0.884 0.961
document_3568 634.8750 634.8750 None 0.883 0.938
document_3556 634.8770 634.8770 None 0.882 0.949
document_4448 702.8620 702.8620 None 0.881 0.951
document_4430 702.8620 702.8620 None 0.880 0.823
document_4411 702.8640 702.8640 None 0.879 0.963
document_3586 634.8790 634.8790 None 0.876 0.880
document_5366 770.3380 770.3380 None 0.876 0.944
document_4443 702.8620 702.8620 None 0.871 0.951
document_3582 634.8760 634.8760 None 0.861 0.814
document_3523 634.8740 634.8740 None 0.861 0.956
document_4438 702.8620 702.8620 None 0.858 0.948
document_3530 634.3050 634.3050 None 0.857 0.883
document_3522 634.7890 634.7890 None 0.848 0.961
document_3573 634.8750 634.8750 None 0.845 0.951
document_4408 702.8540 702.8540 None 0.845 0.880
document_4409 702.8570 702.8570 None 0.840 0.814
document_3565 634.8750 634.8750 None 0.834 0.823
document_3557 634.8760 634.8760 None 0.834 0.957
document_4909 727.4600 727.4600 None 0.830 0.933
document_3572 634.8750 634.8750 None 0.825 0.805
document_3554 634.8740 634.8740 None 0.824 0.801
document_3550 634.8790 634.8790 None 0.824 0.964
document_4470 702.8640 702.8640 None 0.822 0.880
document_3552 634.8690 634.8690 None 0.819 0.801
document_3567 634.9400 634.9400 None 0.818 0.823
document_4405 702.8630 702.8630 None 0.813 0.963
document_4437 702.8620 702.8620 None 0.810 0.957
document_5626 838.8350 838.8350 MS_Contaminant_Sodium_Formate_Cluster 0.806 0.947
document_4406 702.8590 702.8590 None 0.800 0.961
document_5356 770.2870 770.2870 None 0.798 0.961
document_5372 770.8440 770.8440 None 0.797 0.893
document_4415 702.8630 702.8630 None 0.792 0.960
document_4376 702.0500 702.0500 None 0.787 0.965
document_3566 634.8750 634.8750 None 0.786 0.579
document_3560 634.8770 634.8770 None 0.784 0.949
document_3553 634.8710 634.8710 None 0.777 0.760
document_3581 634.8760 634.8760 None 0.773 0.946
document_5408 771.1950 771.1950 None 0.772 0.892
document_4413 702.8560 702.8560 None 0.771 0.947
document_4422 702.8630 702.8630 None 0.770 0.958
document_4425 702.8600 702.8600 None 0.767 0.883
document_4414 702.8550 702.8550 None 0.767 0.786
document_2897 566.8890 566.8890 None 0.760 0.786
document_3564 634.8750 634.8750 None 0.760 0.892
document_2857 566.8890 566.8890 None 0.756 0.805
document_3561 634.8750 634.8750 None 0.754 0.579
document_3584 634.8770 634.8770 None 0.753 0.748
document_3570 634.8760 634.8760 None 0.752 0.801
document_4416 702.8630 702.8630 None 0.747 0.966
document_4463 702.8630 702.8630 None 0.744 0.948
document_3563 634.8750 634.8750 None 0.743 0.801
document_4442 702.8630 702.8630 None 0.742 0.945
document_3505 634.2840 634.2840 None 0.740 0.946
document_2861 566.8900 566.8900 None 0.730 0.817
document_5387 770.8500 770.8500 None 0.730 0.961
document_2856 566.8880 566.8880 None 0.729 0.805
document_4424 702.8590 702.8590 None 0.723 0.801
document_4429 702.8590 702.8590 None 0.715 0.918
document_3583 634.8760 634.8760 None 0.710 0.801
document_4433 702.8620 702.8620 None 0.708 0.918
document_4419 702.8630 702.8630 None 0.702 0.967
document_4458 702.8630 702.8630 None 0.691 0.934
document_4456 702.8640 702.8640 None 0.688 0.946
document_4427 702.8600 702.8600 None 0.686 0.867
document_4418 702.8590 702.8590 None 0.683 0.931
document_4434 702.8620 702.8620 None 0.681 0.958
document_4386 702.5770 702.5770 None 0.679 0.957
document_5399 770.8500 770.8500 None 0.659 0.940
document_3577 634.8760 634.8760 None 0.652 0.946
document_5386 770.8820 770.8820 None 0.650 0.965
document_5392 770.9100 770.9100 None 0.649 0.958
document_4441 702.8620 702.8620 None 0.648 0.962
document_5383 770.8490 770.8490 None 0.647 0.889
document_5377 770.8460 770.8460 None 0.640 0.877
document_4466 702.8630 702.8630 None 0.637 0.940
document_3571 634.8750 634.8750 None 0.630 0.800
document_5357 770.7360 770.7360 None 0.623 0.963
document_5393 770.8500 770.8500 None 0.621 0.961
document_4417 702.8590 702.8590 None 0.621 0.801
document_4447 702.8620 702.8620 None 0.614 0.957
document_4412 702.8640 702.8640 None 0.609 0.964
document_5388 770.8510 770.8510 None 0.608 0.964
document_4455 702.8620 702.8620 None 0.607 0.962
document_4454 702.8630 702.8630 None 0.596 0.801
document_4428 702.8610 702.8610 None 0.591 0.874
document_5363 770.8170 770.8170 None 0.589 0.967
document_5394 770.8490 770.8490 None 0.582 0.897
document_2838 566.3510 566.3510 None 0.576 0.933
document_4471 702.8660 702.8660 None 0.571 0.889
document_5362 770.8200 770.8200 None 0.567 0.967
document_5389 770.9170 770.9170 None 0.566 0.958
document_5381 770.8470 770.8470 None 0.556 0.877
document_5403 770.8510 770.8510 None 0.554 0.877
document_5358 770.8130 770.8130 None 0.543 0.965
document_5402 770.8510 770.8510 None 0.539 0.902
document_5397 770.8490 770.8490 None 0.538 0.951
document_5384 770.8650 770.8650 None 0.525 0.967
document_5365 769.4230 769.4230 None 0.525 0.865
document_4420 702.8620 702.8620 None 0.524 0.880
document_5385 770.8750 770.8750 None 0.524 0.961
document_5375 770.8470 770.8470 None 0.522 0.865
document_5382 770.8470 770.8470 None 0.515 0.865
document_5370 770.4410 770.4410 None 0.514 0.887
document_4453 702.8650 702.8650 None 0.514 0.956
document_5364 770.7850 770.7850 None 0.507 0.912
document_5378 770.8470 770.8470 None 0.506 0.867
document_5391 770.8490 770.8490 None 0.502 0.889
document_5401 770.8500 770.8500 None 0.497 0.865
document_5395 770.8500 770.8500 None 0.490 0.961
document_5620 838.8360 838.8360 MS_Contaminant_Sodium_Formate_Cluster 0.487 0.966
document_3579 634.8750 634.8750 None 0.482 0.949
document_5400 770.8520 770.8520 None 0.479 0.887
document_4473 702.8670 702.8670 None 0.470 0.933
document_5368 770.1030 770.1030 None 0.454 0.874
document_5367 770.5980 770.5980 None 0.445 0.930
document_5396 770.8500 770.8500 None 0.437 0.964
document_5406 770.8520 770.8520 None 0.436 0.874
document_5405 770.8530 770.8530 None 0.434 0.867
document_3549 634.8750 634.8750 None 0.433 0.965
document_4472 702.8670 702.8670 None 0.412 0.865
document_2899 566.8910 566.8910 None 0.407 0.932
document_4440 702.8620 702.8620 None 0.400 0.887
document_4468 702.8630 702.8630 None 0.397 0.927
document_3562 634.8760 634.8760 None 0.388 0.823
document_4467 702.8650 702.8650 None 0.377 0.918
document_3574 634.8760 634.8760 None 0.359 0.751
document_3569 634.8750 634.8750 None 0.354 0.942
document_5373 770.8440 770.8440 None 0.352 0.874
document_5374 770.8450 770.8450 None 0.342 0.889
document_5873 1041.5501 1041.5501 None 0.333 0.728
document_3578 634.8750 634.8750 None 0.327 0.817
document_4465 702.8640 702.8640 None 0.323 0.865
document_5398 770.8500 770.8500 None 0.321 0.880
document_2878 566.8900 566.8900 None 0.314 0.801
document_2109 498.9010 498.9010 None 0.305 0.563
document_5624 838.8330 838.8330 MS_Contaminant_Sodium_Formate_Cluster 0.289 0.918
document_5841 974.8090 974.8090 None 0.289 0.736
document_4431 702.8640 702.8640 None 0.286 0.865
document_5627 838.8360 838.8360 MS_Contaminant_Sodium_Formate_Cluster 0.273 0.868
document_5557 815.5130 815.5130 None 0.271 0.642
document_5641 838.8400 838.8400 MS_Contaminant_Sodium_Formate_Cluster 0.271 0.918
document_3277 605.4240 605.4240 None 0.270 0.525
document_5621 838.8370 838.8370 MS_Contaminant_Sodium_Formate_Cluster 0.265 0.894
document_3544 634.4490 634.4490 None 0.265 0.880
document_5625 838.8360 838.8360 None 0.253 0.880
document_5629 838.8380 838.8380 None 0.249 0.886
document_3532 634.4620 634.4620 None 0.246 0.931
document_5619 838.8380 838.8380 MS_Contaminant_Sodium_Formate_Cluster 0.225 0.958
document_2886 566.8890 566.8890 None 0.221 0.805
document_2870 566.8880 566.8880 None 0.218 0.949
document_2862 566.8900 566.8900 None 0.214 0.751
document_5287 757.4700 757.4700 None 0.212 0.510
document_3542 634.4500 634.4500 None 0.211 0.918
document_3543 634.4500 634.4500 None 0.208 0.874
document_3551 634.8690 634.8690 None 0.208 0.868
document_4397 702.4680 702.4680 None 0.207 0.510
document_2891 566.8890 566.8890 None 0.202 0.801
document_2848 566.8880 566.8880 None 0.201 0.954
document_1920 487.3590 487.3590 None 0.201 0.510
document_5636 838.8360 838.8360 MS_Contaminant_Sodium_Formate_Cluster 0.199 0.920
document_2873 566.8890 566.8890 None 0.196 0.817
document_5898 1101.5730 1101.5730 None 0.190 0.641
document_5623 838.8370 838.8370 MS_Contaminant_Sodium_Formate_Cluster 0.189 0.874
document_5631 838.8370 838.8370 MS_Contaminant_Sodium_Formate_Cluster 0.186 0.958
document_2859 566.8870 566.8870 None 0.184 0.748
document_2887 566.8900 566.8900 None 0.182 0.823
document_2823 566.8810 566.8810 None 0.182 0.955
document_2872 566.8900 566.8900 None 0.175 0.814
document_4377 700.4850 700.4850 None 0.173 0.930
document_4384 700.4870 700.4870 None 0.170 0.733
document_2876 566.8880 566.8880 None 0.170 0.800
document_2863 566.8890 566.8890 None 0.169 0.896
document_2880 566.8880 566.8880 None 0.168 0.817
document_2871 566.8880 566.8880 None 0.167 0.769
document_2842 566.8800 566.8800 None 0.167 0.954
document_2874 566.8890 566.8890 None 0.167 0.801
document_3601 636.9010 636.9010 None 0.167 0.510
document_2869 566.8870 566.8870 None 0.166 0.740
document_2839 566.4000 566.4000 None 0.164 0.811
document_2866 566.8900 566.8900 None 0.162 0.817
document_3533 634.3370 634.3370 None 0.160 0.732
document_2883 566.8880 566.8880 None 0.158 0.805
document_2881 566.8900 566.8900 None 0.153 0.817
document_5622 838.8380 838.8380 MS_Contaminant_Sodium_Formate_Cluster 0.152 0.967
document_2900 566.8910 566.8910 None 0.152 0.748
document_2845 566.8880 566.8880 None 0.151 0.817
document_3667 639.4070 639.4070 None 0.149 0.510
document_3555 634.8740 634.8740 None 0.148 0.733
document_1570 463.2800 463.2800 None 0.146 0.510
document_2894 566.8900 566.8900 None 0.146 0.801
document_5633 838.8360 838.8360 MS_Contaminant_Sodium_Formate_Cluster 0.146 0.945
document_4398 702.4680 702.4680 None 0.144 0.864
document_3339 613.2480 613.2480 None 0.143 0.510
document_2893 566.8970 566.8970 None 0.142 0.817
document_2889 566.8890 566.8890 None 0.141 0.801
document_2875 566.8890 566.8890 None 0.139 0.748
document_2850 566.8850 566.8850 None 0.139 0.748
document_2706 551.3360 551.3360 None 0.138 0.509
document_3540 634.4490 634.4490 None 0.137 0.742
document_2867 566.8870 566.8870 None 0.137 0.949
document_3514 631.5000 631.5000 None 0.133 0.729
document_5616 836.4880 836.4880 None 0.130 0.933
document_5628 838.8350 838.8350 None 0.130 0.874
document_2898 566.8900 566.8900 None 0.129 0.748
document_3545 634.4520 634.4520 None 0.125 0.642
document_2847 566.8850 566.8850 None 0.123 0.751
document_5700 869.5840 869.5840 None 0.122 0.865
document_2855 566.8880 566.8880 None 0.118 0.764
document_2879 566.8880 566.8880 None 0.118 0.748
document_5637 838.8370 838.8370 None 0.114 0.696
document_5635 838.8390 838.8390 MS_Contaminant_Sodium_Formate_Cluster 0.114 0.889
document_2853 566.8890 566.8890 None 0.112 0.747
document_2854 566.8850 566.8850 None 0.111 0.748
document_505 419.2790 419.2790 None 0.105 0.510
document_5638 838.8370 838.8370 MS_Contaminant_Sodium_Formate_Cluster 0.104 0.940
document_1882 485.3780 485.3780 None 0.104 0.510
document_3345 613.2470 613.2470 None 0.103 0.510
document_3175 595.3790 595.3790 None 0.096 0.509
document_2877 566.8880 566.8880 None 0.094 0.748
document_4490 703.3830 703.3830 None 0.093 0.704
document_5343 766.5280 766.5280 None 0.093 0.510
document_2767 557.2810 557.2810 None 0.092 0.510
document_2132 498.9010 498.9010 None 0.088 0.801
document_2895 566.8880 566.8880 None 0.087 0.949
document_5640 838.8380 838.8380 MS_Contaminant_Sodium_Formate_Cluster 0.084 0.933
document_5753 903.5590 903.5590 None 0.083 0.918
document_2513 531.3840 531.3840 None 0.080 0.505
document_1857 485.2670 485.2670 None 0.080 0.510
document_2844 566.8880 566.8880 None 0.078 0.748
document_2467 527.3150 527.3150 None 0.077 0.506
document_5632 838.8380 838.8380 MS_Contaminant_Sodium_Formate_Cluster 0.077 0.897
document_2864 566.8870 566.8870 None 0.077 0.747
document_4475 702.9380 702.9380 None 0.076 0.733
document_2841 565.3720 565.3720 None 0.075 0.917
document_2473 527.3170 527.3170 None 0.074 0.510
document_3849 661.5160 661.5160 None 0.073 0.510
document_5527 805.4830 805.4830 None 0.073 0.510
document_3531 634.4240 634.4240 None 0.072 0.918
document_2165 499.3120 499.3120 None 0.070 0.507
document_2882 566.8880 566.8880 None 0.069 0.748
document_4641 713.3660 713.3660 None 0.069 0.510
document_2749 555.2930 555.2930 None 0.068 0.562
document_5642 838.8420 838.8420 MS_Contaminant_Sodium_Formate_Cluster 0.068 0.882
document_1867 485.2910 485.2910 None 0.067 0.509
document_4396 702.4810 702.4810 None 0.059 0.732
document_4195 690.1730 690.1730 None 0.058 0.510
document_3891 666.4310 666.4310 None 0.058 0.732
document_3580 634.8770 634.8770 None 0.056 0.579
document_2868 566.8880 566.8880 None 0.056 0.563
document_5617 838.8380 838.8380 MS_Contaminant_Sodium_Formate_Cluster 0.055 0.931
document_3347 613.2470 613.2470 None 0.055 0.508
document_1877 485.3760 485.3760 None 0.055 0.510
document_5421 776.2880 776.2880 None 0.054 0.513
document_4390 702.2090 702.2090 None 0.053 0.563
document_4194 690.3570 690.3570 None 0.051 0.509
document_5855 997.5220 997.5220 None 0.051 0.642

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.