Mass2Motif: motif_58

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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 0.9526891695755303. 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_167.9500 0.225
fragment_355.2500 0.068
fragment_185.9500 0.068
loss_158.9500 0.059
fragment_120.9500 0.055
fragment_124.9500 0.044
fragment_381.2500 0.033
fragment_124.8500 0.025
fragment_547.3500 0.023
fragment_478.1500 0.022
fragment_176.9500 0.020
fragment_435.1500 0.020
loss_136.9500 0.020
fragment_415.2500 0.016
fragment_492.2500 0.013
fragment_356.2500 0.013
fragment_225.9500 0.012
fragment_441.1500 0.012
fragment_435.0500 0.011
fragment_427.2500 0.010
fragment_480.1500 0.010
fragment_413.1500 0.009
fragment_506.2500 0.006
loss_39.0500 0.006
fragment_593.4500 0.006
fragment_463.1500 0.005
fragment_95.0500 0.005
fragment_83.0500 0.005
loss_52.7500 0.005
fragment_709.7500 0.005
fragment_421.1500 0.005
fragment_695.3500 0.005
fragment_257.3500 0.004
fragment_327.1500 0.004
loss_159.0500 0.004
fragment_383.2500 0.004
fragment_480.2500 0.004
fragment_382.2500 0.004
fragment_424.1500 0.004
fragment_142.9500 0.003
fragment_219.2500 0.003
fragment_566.3500 0.003
fragment_204.8500 0.003
loss_183.1500 0.003
fragment_493.2500 0.003
fragment_62.9500 0.003
fragment_290.8500 0.003
fragment_717.3500 0.002
fragment_574.1500 0.002
fragment_543.4500 0.002
fragment_109.8500 0.002
fragment_93.0500 0.002
fragment_441.2500 0.002
fragment_220.9500 0.002
fragment_565.3500 0.002
loss_118.9500 0.002
fragment_416.2500 0.002
fragment_615.3500 0.002
fragment_67.0500 0.002
fragment_525.2500 0.002
fragment_452.3500 0.002
loss_183.9500 0.002
fragment_85.0500 0.002
fragment_97.0500 0.002
fragment_437.1500 0.002
fragment_69.0500 0.002
fragment_650.3500 0.002
fragment_344.0500 0.001
fragment_326.8500 0.001
fragment_838.0500 0.001
fragment_507.2500 0.001
fragment_594.4500 0.001
fragment_77.0500 0.001
fragment_427.1500 0.001
fragment_301.2500 0.001
fragment_280.8500 0.001
fragment_359.1500 0.001
fragment_611.4500 0.001
fragment_478.8500 0.001
fragment_109.0500 0.001
fragment_689.0500 0.001
loss_45.3500 0.001
fragment_471.2500 0.001
fragment_187.4500 0.001
fragment_247.1500 0.001
fragment_125.1500 0.001
fragment_506.1500 0.001

Counts of Classyfire Substituent terms

Term name Count in motif Percentage in motif Percentage in experiment Absolute difference
Hydrocarbon derivative 44 100 100 0
Organooxygen compound 43 97.7 95.3 2.4
Carbonyl group 30 68.2 44.0 24.2
Organoheterocyclic compound 18 40.9 13.3 27.6
Organonitrogen compound 18 40.9 54.1 13.2
Organic nitrogen compound 17 38.6 55.6 17.0
Oxacycle 15 34.1 7.9 26.2
Alcohol 11 25 14.7 10.3
Azacycle 9 20.5 22.6 2.2
Organopnictogen compound 7 15.9 45.2 29.3
Secondary alcohol 6 13.6 7.7 5.9
Aromatic heteropolycyclic compound 6 13.6 9.6 4.0
Carboxylic acid ester 5 11.4 1.8 9.6
Benzenoid 4 9.1 18.3 9.3
Heteroaromatic compound 4 9.1 5.8 3.3
Polyol 3 6.8 1.6 5.2
Primary alcohol 2 4.5 0.9 3.7
Oxane 2 4.5 1.9 2.6
O-glycosyl compound 2 4.5 1.2 3.3
Acetal 2 4.5 1.5 3.1
Glycosyl compound 2 4.5 0.7 3.8
Carboxamide group 1 2.3 5.5 3.2

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_5239 748.3960 748.3960 None 0.919 0.494
document_5312 760.3880 760.3880 None 0.903 0.444
document_5238 748.4600 748.4600 None 0.841 0.477
document_4068 680.4260 680.4260 None 0.642 0.515
document_5006 734.3690 734.3690 None 0.641 0.591
document_5321 762.4350 762.4350 None 0.567 0.381
document_5325 762.4960 762.4960 None 0.552 0.376
document_5281 757.2830 757.2830 None 0.548 0.375
document_5310 760.4070 760.4070 None 0.546 0.554
document_4070 680.4260 680.4260 None 0.541 0.377
document_5017 734.4700 734.4700 None 0.524 0.412
document_4997 734.4320 734.4320 None 0.512 0.397
document_4071 680.4260 680.4260 None 0.499 0.445
document_4554 706.3970 706.3970 None 0.496 0.560
document_5012 734.3810 734.3810 None 0.465 0.659
document_4555 706.3940 706.3940 None 0.465 0.371
document_5320 762.4700 762.4700 None 0.465 0.528
document_5005 734.3710 734.3710 None 0.446 0.498
document_5015 734.4700 734.4700 None 0.438 0.377
document_5013 734.3870 734.3870 None 0.436 0.488
document_5242 748.4810 748.4810 None 0.407 0.470
document_4556 706.3940 706.3940 None 0.401 0.245
document_4999 734.3780 734.3780 None 0.381 0.619
document_4966 733.2420 733.2420 None 0.269 0.318
document_5007 734.3950 734.3950 None 0.237 0.572
document_5009 734.4040 734.4040 None 0.232 0.462
document_5324 762.4960 762.4960 None 0.222 0.349
document_4998 734.3850 734.3850 None 0.221 0.694
document_5425 776.5100 776.5100 None 0.217 0.149
document_5004 734.4020 734.4020 None 0.205 0.600
document_5326 762.4960 762.4960 None 0.203 0.258
document_4963 734.3860 734.3860 None 0.179 0.673
document_2173 500.2330 500.2330 None 0.169 0.293
document_5424 776.5100 776.5100 None 0.164 0.383
document_4967 732.4060 732.4060 None 0.163 0.368
document_4162 688.4700 688.4700 None 0.162 0.054
document_5003 734.3930 734.3930 None 0.142 0.638
document_5001 734.4040 734.4040 None 0.141 0.644
document_4991 734.3870 734.3870 None 0.115 0.427
document_5011 734.4090 734.4090 None 0.097 0.408
document_5008 734.4070 734.4070 None 0.093 0.466
document_2068 498.7960 498.7960 None 0.071 0.340
document_4164 688.3860 688.3860 None 0.064 0.026
document_5030 736.6070 736.6070 None 0.054 0.386

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.