Mass2Motif: motif_83

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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 0.9714930999572224. 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_71.0500 0.416
fragment_563.4500 0.284
fragment_564.4500 0.089
fragment_57.0500 0.047
loss_141.0500 0.024
fragment_294.2500 0.016
fragment_85.0500 0.013
fragment_109.0500 0.009
fragment_67.0500 0.009
fragment_186.9500 0.009
fragment_339.1500 0.008
loss_80.1500 0.007
fragment_110.1500 0.006
fragment_55.0500 0.003
fragment_313.1500 0.003
fragment_565.4500 0.003
fragment_151.1500 0.002
fragment_234.1500 0.002
fragment_564.3500 0.002
fragment_149.0500 0.002
fragment_154.9500 0.002
fragment_295.2500 0.002
fragment_62.0500 0.002
fragment_127.1500 0.002
fragment_361.0500 0.001
loss_58.2500 0.001
fragment_216.0500 0.001
fragment_387.5500 0.001
fragment_103.2500 0.001
fragment_294.1500 0.001
fragment_447.0500 0.001

Counts of Classyfire Substituent terms

Term name Count in motif Percentage in motif Percentage in experiment Absolute difference
Hydrocarbon derivative 73 100 100 0
Organooxygen compound 69 94.5 95.3 0.8
Carbonyl group 31 42.5 44.0 1.6
Aliphatic acyclic compound 15 20.5 2.9 17.6
Organic nitrogen compound 15 20.5 55.6 35.1
Organonitrogen compound 12 16.4 54.1 37.7
Alcohol 11 15.1 14.7 0.4
Organopnictogen compound 9 12.3 45.2 32.9
Secondary alcohol 7 9.6 7.7 1.9
Benzenoid 6 8.2 18.3 10.1
Azacycle 3 4.1 22.6 18.5
Oxane 2 2.7 1.9 0.8
Organoheterocyclic compound 2 2.7 13.3 10.6
Oxacycle 2 2.7 7.9 5.2
O-glycosyl compound 2 2.7 1.2 1.5
Polyol 2 2.7 1.6 1.2
Acetal 2 2.7 1.5 1.3
Aromatic heteropolycyclic compound 2 2.7 9.6 6.9
1-hydroxy-2-unsubstituted benzenoid 2 2.7 1.3 1.5

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_4511 704.4740 704.4740 None 0.530 0.881
document_4504 704.4870 704.4870 None 0.475 0.835
document_4524 704.4150 704.4150 None 0.469 0.748
document_4528 704.4150 704.4150 None 0.454 0.458
document_3509 631.4520 631.4520 None 0.432 0.376
document_2573 537.4880 537.4880 None 0.416 0.489
document_4521 704.4280 704.4280 None 0.382 0.860
document_4506 704.4150 704.4150 None 0.381 0.882
document_4507 704.4150 704.4150 None 0.375 0.808
document_4508 704.4150 704.4150 None 0.368 0.790
document_4510 704.4150 704.4150 None 0.357 0.796
document_4522 704.4150 704.4150 None 0.350 0.796
document_4527 704.4150 704.4150 None 0.331 0.878
document_4516 704.4150 704.4150 None 0.330 0.813
document_507 419.3140 419.3140 None 0.323 0.481
document_4514 704.4660 704.4660 None 0.300 0.875
document_4525 704.4150 704.4150 None 0.279 0.376
document_4513 704.4150 704.4150 None 0.269 0.456
document_4515 704.4150 704.4150 None 0.267 0.372
document_4478 703.4980 703.4980 None 0.267 0.405
document_4512 704.4150 704.4150 None 0.256 0.385
document_4519 704.4150 704.4150 None 0.247 0.456
document_4526 704.4150 704.4150 None 0.213 0.372
document_4475 702.9380 702.9380 None 0.202 0.844
document_4823 718.5370 718.5370 None 0.194 0.460
document_4279 690.5070 690.5070 None 0.182 0.475
document_4523 704.4150 704.4150 None 0.181 0.385
document_4299 692.4740 692.4740 None 0.174 0.485
document_2713 551.5040 551.5040 None 0.164 0.469
document_4227 690.4010 690.4010 None 0.162 0.502
document_4518 704.4150 704.4150 None 0.153 0.479
document_508 419.3150 419.3150 None 0.152 0.433
document_4517 705.0320 705.0320 None 0.140 0.429
document_4254 690.4020 690.4020 None 0.139 0.478
document_5585 819.4990 819.4990 None 0.135 0.463
document_3973 676.4120 676.4120 None 0.127 0.443
document_4770 718.4290 718.4290 None 0.123 0.465
document_2250 506.5280 506.5280 None 0.114 0.463
document_4466 702.8630 702.8630 None 0.110 0.284
document_2937 570.8640 570.8640 None 0.107 0.465
document_431 419.3550 419.3550 None 0.106 0.465
document_4209 690.4010 690.4010 None 0.102 0.495
document_4883 726.4120 726.4120 None 0.098 0.458
document_4232 690.4010 690.4010 None 0.098 0.497
document_4530 704.5210 704.5210 None 0.089 0.460
document_4183 690.1000 690.1000 None 0.088 0.473
document_430 419.0270 419.0270 None 0.088 0.477
document_4230 690.4010 690.4010 None 0.087 0.489
document_4214 690.4010 690.4010 None 0.086 0.486
document_4281 690.5070 690.5070 None 0.082 0.486
document_230 410.3630 410.3630 None 0.080 0.462
document_3908 668.1970 668.1970 Arenimycin A 0.078 0.476
document_4244 690.4230 690.4230 None 0.076 0.493
document_4509 704.4870 704.4870 None 0.076 0.316
document_4962 732.5020 732.5020 None 0.073 0.475
document_420 417.2340 417.2340 None 0.073 0.465
document_4266 690.4520 690.4520 None 0.071 0.489
document_4666 716.4140 716.4140 None 0.071 0.488
document_4543 705.3990 705.3990 None 0.068 0.091
document_4242 690.4290 690.4290 None 0.067 0.489
document_1622 466.5330 466.5330 None 0.059 0.475
document_3823 658.3930 658.3930 None 0.058 0.471
document_2081 498.3990 498.3990 None 0.057 0.475
document_340 413.2540 413.2540 None 0.057 0.462
document_457 419.2880 419.2880 None 0.054 0.464
document_1790 478.5560 478.5560 None 0.054 0.479
document_4483 703.3800 703.3800 None 0.054 0.415
document_4169 690.2770 690.2770 None 0.054 0.466
document_49 401.2470 401.2470 None 0.054 0.415
document_4128 685.7380 685.7380 None 0.052 0.459
document_5577 819.5000 819.5000 None 0.052 0.475
document_4191 688.5140 688.5140 None 0.050 0.475
document_1822 481.4000 481.4000 None 0.050 0.440

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.