Mass2Motif: motif_61

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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 0.9370004458234815. 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_430.9500 0.273
fragment_362.9500 0.142
fragment_498.8500 0.087
fragment_566.8500 0.084
fragment_634.8500 0.057
fragment_226.9500 0.045
fragment_498.9500 0.043
fragment_702.8500 0.041
fragment_770.8500 0.022
loss_135.9500 0.020
fragment_431.9500 0.014
fragment_567.8500 0.013
fragment_432.9500 0.008
fragment_838.8500 0.006
fragment_363.9500 0.006
loss_67.3500 0.006
fragment_771.4500 0.006
fragment_635.8500 0.005
loss_66.3500 0.004
fragment_772.4500 0.004
fragment_499.8500 0.004
fragment_906.8500 0.004
fragment_499.9500 0.003
fragment_228.9500 0.003
fragment_500.9500 0.003
fragment_401.6500 0.002
fragment_819.5500 0.002
loss_50.0500 0.002
loss_134.8500 0.002
fragment_703.8500 0.002
fragment_806.2500 0.002
loss_32.5500 0.002
fragment_85.9500 0.002
loss_166.7500 0.002
fragment_294.9500 0.001
fragment_636.8500 0.001
fragment_651.0500 0.001
fragment_872.4500 0.001
fragment_501.1500 0.001
fragment_228.4500 0.001
fragment_158.9500 0.001
fragment_771.8500 0.001
fragment_974.7500 0.001
fragment_229.9500 0.001
fragment_258.6500 0.001
fragment_568.8500 0.001
fragment_554.8500 0.001
fragment_709.7500 0.001
loss_159.8500 0.001
fragment_702.9500 0.001

Counts of Classyfire Substituent terms

Term name Count in motif Percentage in motif Percentage in experiment Absolute difference
Hydrocarbon derivative 95 100 100 0
Organooxygen compound 95 100 95.3 4.7
Organic nitrogen compound 91 95.8 55.6 40.2
Organonitrogen compound 89 93.7 54.1 39.6
Carbonyl group 88 92.6 44.0 48.6
Organopnictogen compound 72 75.8 45.2 30.5
Alcohol 19 20 14.7 5.3
Azacycle 19 20 22.6 2.6
Secondary alcohol 13 13.7 7.7 6.0
Benzenoid 13 13.7 18.3 4.7
Organoheterocyclic compound 10 10.5 13.3 2.8
Amine 7 7.4 4.4 3.0
Oxacycle 4 4.2 7.9 3.7
Carboxamide group 4 4.2 5.5 1.3
Acetal 2 2.1 1.5 0.7
Oxane 2 2.1 1.9 0.2
Polyol 2 2.1 1.6 0.5
O-glycosyl compound 1 1.1 1.2 0.1
Glycosyl compound 1 1.1 0.7 0.3
Aromatic heteropolycyclic compound 1 1.1 9.6 8.6

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_5872 1041.9590 1041.9590 MS_Contaminant_Sodium_Formate_Cluster 0.957 0.809
document_5840 974.8120 974.8120 MS_Contaminant_Sodium_Formate_Cluster 0.957 0.843
document_5632 838.8380 838.8380 MS_Contaminant_Sodium_Formate_Cluster 0.920 0.778
document_5871 1041.6680 1041.6680 MS_Contaminant_Sodium_Formate_Cluster 0.917 0.798
document_5757 906.8250 906.8250 Sodium Formate 0.907 0.837
document_5639 838.8400 838.8400 None 0.901 0.662
document_5638 838.8370 838.8370 MS_Contaminant_Sodium_Formate_Cluster 0.895 0.791
document_5635 838.8390 838.8390 MS_Contaminant_Sodium_Formate_Cluster 0.876 0.838
document_5640 838.8380 838.8380 MS_Contaminant_Sodium_Formate_Cluster 0.876 0.747
document_5618 838.8380 838.8380 MS_Contaminant_Sodium_Formate_Cluster 0.851 0.849
document_5617 838.8380 838.8380 MS_Contaminant_Sodium_Formate_Cluster 0.840 0.741
document_5633 838.8360 838.8360 MS_Contaminant_Sodium_Formate_Cluster 0.820 0.788
document_5631 838.8370 838.8370 MS_Contaminant_Sodium_Formate_Cluster 0.809 0.806
document_5622 838.8380 838.8380 MS_Contaminant_Sodium_Formate_Cluster 0.803 0.811
document_5700 869.5840 869.5840 None 0.796 0.653
document_5637 838.8370 838.8370 None 0.791 0.547
document_5623 838.8370 838.8370 MS_Contaminant_Sodium_Formate_Cluster 0.789 0.729
document_5628 838.8350 838.8350 None 0.787 0.561
document_5642 838.8420 838.8420 MS_Contaminant_Sodium_Formate_Cluster 0.779 0.755
document_5616 836.4880 836.4880 None 0.763 0.688
document_5634 838.8360 838.8360 MS_Contaminant_Sodium_Formate_Cluster 0.746 0.790
document_5619 838.8380 838.8380 MS_Contaminant_Sodium_Formate_Cluster 0.743 0.838
document_5841 974.8090 974.8090 None 0.711 0.334
document_5627 838.8360 838.8360 MS_Contaminant_Sodium_Formate_Cluster 0.706 0.615
document_5629 838.8380 838.8380 None 0.704 0.619
document_5625 838.8360 838.8360 None 0.695 0.562
document_5636 838.8360 838.8360 MS_Contaminant_Sodium_Formate_Cluster 0.678 0.702
document_5624 838.8330 838.8330 MS_Contaminant_Sodium_Formate_Cluster 0.676 0.711
document_5753 903.5590 903.5590 None 0.657 0.754
document_5398 770.8500 770.8500 None 0.647 0.736
document_5621 838.8370 838.8370 MS_Contaminant_Sodium_Formate_Cluster 0.622 0.655
document_5641 838.8400 838.8400 MS_Contaminant_Sodium_Formate_Cluster 0.576 0.561
document_5875 1041.5520 1041.5520 None 0.540 0.406
document_5374 770.8450 770.8450 None 0.539 0.579
document_5396 770.8500 770.8500 None 0.524 0.792
document_5406 770.8520 770.8520 None 0.518 0.519
document_5401 770.8500 770.8500 None 0.503 0.590
document_5405 770.8530 770.8530 None 0.480 0.560
document_5370 770.4410 770.4410 None 0.469 0.567
document_5400 770.8520 770.8520 None 0.460 0.698
document_5367 770.5980 770.5980 None 0.455 0.656
document_5391 770.8490 770.8490 None 0.451 0.677
document_5395 770.8500 770.8500 None 0.450 0.665
document_5384 770.8650 770.8650 None 0.441 0.790
document_5397 770.8490 770.8490 None 0.437 0.735
document_5402 770.8510 770.8510 None 0.437 0.687
document_5403 770.8510 770.8510 None 0.433 0.638
document_5385 770.8750 770.8750 None 0.420 0.672
document_5375 770.8470 770.8470 None 0.419 0.564
document_5358 770.8130 770.8130 None 0.418 0.797
document_5394 770.8490 770.8490 None 0.418 0.573
document_5378 770.8470 770.8470 None 0.410 0.512
document_5364 770.7850 770.7850 None 0.400 0.751
document_5362 770.8200 770.8200 None 0.385 0.787
document_5357 770.7360 770.7360 None 0.376 0.736
document_5388 770.8510 770.8510 None 0.374 0.776
document_5392 770.9100 770.9100 None 0.345 0.583
document_5363 770.8170 770.8170 None 0.344 0.802
document_5389 770.9170 770.9170 None 0.333 0.680
document_5393 770.8500 770.8500 None 0.330 0.576
document_5386 770.8820 770.8820 None 0.313 0.757
document_5399 770.8500 770.8500 None 0.301 0.609
document_5368 770.1030 770.1030 None 0.300 0.561
document_5373 770.8440 770.8440 None 0.282 0.475
document_5387 770.8500 770.8500 None 0.257 0.568
document_5408 771.1950 771.1950 None 0.211 0.569
document_4440 702.8620 702.8620 None 0.160 0.568
document_5381 770.8470 770.8470 None 0.157 0.509
document_4442 702.8630 702.8630 None 0.142 0.675
document_5881 1049.6021 1049.6021 None 0.141 0.415
document_4463 702.8630 702.8630 None 0.140 0.692
document_4456 702.8640 702.8640 None 0.131 0.717
document_4473 702.8670 702.8670 None 0.122 0.609
document_5620 838.8360 838.8360 MS_Contaminant_Sodium_Formate_Cluster 0.117 0.749
document_4425 702.8600 702.8600 None 0.111 0.509
document_5529 805.4830 805.4830 None 0.106 0.314
document_4406 702.8590 702.8590 None 0.099 0.673
document_4466 702.8630 702.8630 None 0.092 0.525
document_5365 769.4230 769.4230 None 0.087 0.460
document_5754 903.5310 903.5310 None 0.085 0.502
document_4448 702.8620 702.8620 None 0.084 0.586
document_4472 702.8670 702.8670 None 0.084 0.547
document_4422 702.8630 702.8630 None 0.083 0.698
document_4443 702.8620 702.8620 None 0.083 0.569
document_4482 703.3800 703.3800 None 0.080 0.142
document_4413 702.8560 702.8560 None 0.073 0.512
document_5355 767.4300 767.4300 None 0.071 0.481
document_4405 702.8630 702.8630 None 0.067 0.745
document_4455 702.8620 702.8620 None 0.066 0.688
document_4411 702.8640 702.8640 None 0.066 0.693
document_5178 743.4350 743.4350 None 0.065 0.273
document_4386 702.5770 702.5770 None 0.056 0.661
document_5366 770.3380 770.3380 None 0.053 0.594
document_5626 838.8350 838.8350 MS_Contaminant_Sodium_Formate_Cluster 0.051 0.771
document_5880 1049.6021 1049.6021 None 0.050 0.132

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.