Mass2Motif: motif_32

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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 0.9623662200441377. 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
loss_139.0500 0.305
loss_141.0500 0.183
loss_140.0500 0.144
fragment_449.4500 0.078
fragment_523.4500 0.063
fragment_524.4500 0.034
fragment_357.3500 0.031
fragment_450.4500 0.026
fragment_451.4500 0.016
loss_138.0500 0.015
fragment_575.5500 0.013
fragment_525.4500 0.008
fragment_97.1500 0.006
fragment_576.5500 0.006
fragment_358.3500 0.005
fragment_418.4500 0.005
fragment_109.0500 0.004
fragment_216.0500 0.003
fragment_506.5500 0.002
loss_85.9500 0.002
fragment_375.3500 0.002
fragment_111.1500 0.002
fragment_359.3500 0.002
fragment_190.1500 0.002
fragment_57.0500 0.001
fragment_198.0500 0.001
fragment_239.2500 0.001
loss_138.9500 0.001
fragment_83.0500 0.001
loss_64.2500 0.001
fragment_526.1500 0.001

Counts of Classyfire Substituent terms

Term name Count in motif Percentage in motif Percentage in experiment Absolute difference
Hydrocarbon derivative 68 100 100 0
Organooxygen compound 64 94.1 95.3 1.2
Carbonyl group 35 51.5 44.0 7.4
Organic nitrogen compound 25 36.8 55.6 18.9
Organonitrogen compound 24 35.3 54.1 18.8
Alcohol 23 33.8 14.7 19.2
Organopnictogen compound 22 32.4 45.2 12.9
Secondary alcohol 16 23.5 7.7 15.8
Organoheterocyclic compound 11 16.2 13.3 2.9
Oxacycle 6 8.8 7.9 0.9
Azacycle 3 4.4 22.6 18.2
Benzenoid 2 2.9 18.3 15.4
1-hydroxy-2-unsubstituted benzenoid 1 1.5 1.3 0.2
Phenol 1 1.5 0.5 1.0

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_3881 664.4900 664.4900 None 0.873 0.744
document_3880 664.4900 664.4900 None 0.843 0.739
document_3883 664.4920 664.4920 None 0.835 0.744
document_3111 590.4160 590.4160 None 0.795 0.471
document_3879 664.4920 664.4920 None 0.777 0.737
document_4746 716.5210 716.5210 None 0.772 0.664
document_3110 590.4170 590.4170 None 0.745 0.796
document_3112 590.4170 590.4170 None 0.744 0.781
document_3882 664.4900 664.4900 None 0.721 0.739
document_3113 590.4170 590.4170 None 0.710 0.488
document_3121 590.4180 590.4180 None 0.617 0.296
document_3141 592.4310 592.4310 None 0.606 0.651
document_3271 604.4320 604.4320 None 0.454 0.164
document_4283 690.5070 690.5070 None 0.382 0.677
document_4282 690.5070 690.5070 None 0.325 0.644
document_4270 690.5040 690.5040 None 0.302 0.630
document_4269 690.5040 690.5040 None 0.298 0.644
document_4272 690.5050 690.5050 None 0.267 0.449
document_3104 590.4020 590.4020 None 0.241 0.339
document_5228 744.5480 744.5480 None 0.189 0.646
document_4941 730.5330 730.5330 None 0.174 0.630
document_3596 636.4180 636.4180 None 0.142 0.631
document_4325 692.5200 692.5200 None 0.137 0.631
document_5141 740.5140 740.5140 None 0.126 0.629
document_4690 716.4150 716.4150 None 0.123 0.637
document_4655 715.1900 715.1900 None 0.116 0.319
document_5294 758.5620 758.5620 None 0.111 0.651
document_4592 710.4650 710.4650 None 0.108 0.628
document_4581 708.5160 708.5160 None 0.107 0.634
document_4577 708.5160 708.5160 None 0.100 0.635
document_4946 730.5330 730.5330 None 0.098 0.646
document_4306 692.5170 692.5170 None 0.092 0.631
document_1 299.9970 299.9970 None 0.089 0.305
document_4314 692.5170 692.5170 None 0.084 0.632
document_5218 744.5470 744.5470 None 0.082 0.648
document_3595 636.4180 636.4180 None 0.082 0.635
document_5662 845.5020 845.5020 None 0.082 0.631
document_4950 730.5330 730.5330 None 0.080 0.634
document_4988 732.5470 732.5470 None 0.080 0.631
document_4312 692.5170 692.5170 None 0.079 0.629
document_5268 754.5290 754.5290 None 0.078 0.634
document_4075 680.4860 680.4860 None 0.078 0.637
document_4947 730.5330 730.5330 None 0.074 0.635
document_4271 690.5060 690.5060 None 0.074 0.630
document_4821 718.5320 718.5320 None 0.073 0.651
document_5222 744.5480 744.5480 None 0.069 0.636
document_4386 702.5770 702.5770 None 0.068 0.503
document_5728 887.9080 887.9080 None 0.066 0.448
document_3028 582.2780 582.2780 None 0.065 0.305
document_4310 692.5170 692.5170 None 0.064 0.636
document_5184 744.4430 744.4430 None 0.062 0.630
document_4340 694.5010 694.5010 None 0.061 0.633
document_3329 612.3980 612.3980 None 0.061 0.464
document_4529 704.5210 704.5210 None 0.060 0.630
document_199 408.2330 408.2330 None 0.060 0.305
document_4576 708.5160 708.5160 None 0.059 0.632
document_4817 718.5320 718.5320 None 0.057 0.631
document_4328 692.5240 692.5240 None 0.056 0.649
document_4074 680.4860 680.4860 None 0.054 0.633
document_4331 692.5240 692.5240 None 0.054 0.647
document_4582 708.5160 708.5160 None 0.054 0.633
document_5295 758.5620 758.5620 None 0.054 0.646
document_4317 692.5170 692.5170 None 0.053 0.631
document_5298 758.5620 758.5620 None 0.051 0.649
document_5304 758.5620 758.5620 None 0.051 0.628
document_4073 680.4860 680.4860 None 0.051 0.640
document_5229 744.5480 744.5480 None 0.050 0.448
document_5219 744.5470 744.5470 None 0.050 0.631

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.