Mass2Motif: motif_20

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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: Salinispora arenicola subset related Mass2Motif - peptidic nature

Short Annotation: Salinispora arenicola subset related Mass2Motif - peptidic nature

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 0.962188552059767. 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 0.200
fragment_124.9500 0.187
fragment_413.1500 0.110
fragment_435.1500 0.086
fragment_511.2500 0.029
fragment_185.9500 0.028
fragment_597.4500 0.027
fragment_441.2500 0.027
fragment_299.1500 0.021
fragment_437.1500 0.019
fragment_415.1500 0.016
fragment_182.9500 0.015
fragment_176.9500 0.012
fragment_414.1500 0.011
loss_158.9500 0.011
loss_139.1500 0.010
fragment_478.2500 0.010
fragment_325.2500 0.010
fragment_436.1500 0.009
fragment_301.1500 0.008
fragment_225.9500 0.007
fragment_201.5500 0.007
fragment_169.4500 0.006
fragment_464.1500 0.006
loss_188.1500 0.005
fragment_625.3500 0.005
fragment_97.0500 0.005
fragment_480.2500 0.005
fragment_479.2500 0.004
fragment_415.2500 0.004
fragment_123.9500 0.004
fragment_435.2500 0.004
fragment_301.2500 0.003
loss_195.2500 0.003
fragment_260.9500 0.003
fragment_421.7500 0.003
fragment_781.5500 0.002
loss_31.9500 0.002
fragment_416.1500 0.002
fragment_254.9500 0.002
fragment_302.1500 0.002
fragment_418.2500 0.002
fragment_168.9500 0.002
fragment_424.2500 0.002
fragment_57.0500 0.002
loss_144.9500 0.002
fragment_198.9500 0.001
fragment_416.2500 0.001
fragment_479.1500 0.001
fragment_136.8500 0.001
fragment_54.8500 0.001
fragment_445.1500 0.001
fragment_224.0500 0.001
fragment_360.1500 0.001
fragment_592.0500 0.001
loss_142.3500 0.001
fragment_781.9500 0.001
loss_31.4500 0.001
loss_137.0500 0.001
fragment_438.0500 0.001
loss_158.3500 0.001
fragment_413.8500 0.001
fragment_305.0500 0.001
fragment_442.2500 0.001

Counts of Classyfire Substituent terms

Term name Count in motif Percentage in motif Percentage in experiment Absolute difference
Hydrocarbon derivative 45 100 100 0
Organooxygen compound 45 100 95.3 4.7
Organonitrogen compound 24 53.3 54.1 0.8
Carbonyl group 24 53.3 44.0 9.3
Organic nitrogen compound 21 46.7 55.6 9.0
Azacycle 13 28.9 22.6 6.3
Organoheterocyclic compound 12 26.7 13.3 13.3
Benzenoid 11 24.4 18.3 6.1
Organopnictogen compound 10 22.2 45.2 23.0
Alcohol 10 22.2 14.7 7.6
Aromatic heteropolycyclic compound 8 17.8 9.6 8.1
Oxacycle 7 15.6 7.9 7.6
Secondary alcohol 5 11.1 7.7 3.4
Heteroaromatic compound 4 8.9 5.8 3.1
Carboxylic acid ester 3 6.7 1.8 4.9
Amine 1 2.2 4.4 2.1
Carboxamide group 1 2.2 5.5 3.3

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_5517 803.3620 803.3620 None 0.880 0.111
document_5316 760.4860 760.4860 None 0.752 0.586
document_4968 733.7800 733.7800 None 0.717 0.747
document_5311 760.4180 760.4180 None 0.712 0.587
document_5683 859.6050 859.6050 None 0.709 0.030
document_5858 1007.4430 1007.4430 None 0.697 0.029
document_4069 680.4260 680.4260 None 0.647 0.398
document_5002 734.4230 734.4230 None 0.647 0.771
document_5016 734.4700 734.4700 None 0.643 0.476
document_4970 732.4560 732.4560 None 0.627 0.463
document_5313 760.4540 760.4540 None 0.623 0.603
document_5548 813.4320 813.4320 None 0.622 0.046
document_5000 734.4120 734.4120 None 0.622 0.638
document_5003 734.3930 734.3930 None 0.466 0.722
document_4963 734.3860 734.3860 None 0.432 0.739
document_5004 734.4020 734.4020 None 0.405 0.697
document_5007 734.3950 734.3950 None 0.377 0.655
document_1601 464.3860 464.3860 None 0.359 0.029
document_5001 734.4040 734.4040 None 0.344 0.739
document_5310 760.4070 760.4070 None 0.328 0.674
document_4998 734.3850 734.3850 None 0.325 0.703
document_5011 734.4090 734.4090 None 0.325 0.376
document_5008 734.4070 734.4070 None 0.311 0.670
document_5009 734.4040 734.4040 None 0.289 0.411
document_5514 802.4580 802.4580 None 0.242 0.567
document_5512 800.4430 800.4430 None 0.220 0.548
document_4070 680.4260 680.4260 None 0.198 0.420
document_4557 706.4490 706.4490 None 0.169 0.398
document_4896 727.4010 727.4010 None 0.167 0.102
document_5323 762.4960 762.4960 None 0.165 0.395
document_3655 639.3280 639.3280 None 0.129 0.086
document_5411 771.3750 771.3750 None 0.128 0.086
document_5015 734.4700 734.4700 None 0.127 0.531
document_5655 841.4820 841.4820 None 0.115 0.191
document_4965 732.4050 732.4050 None 0.113 0.218
document_5515 802.4580 802.4580 None 0.104 0.216
document_5278 757.3680 757.3680 None 0.098 0.120
document_5279 757.3230 757.3230 None 0.091 0.187
document_2610 542.1790 542.1790 None 0.089 0.086
document_5005 734.3710 734.3710 None 0.088 0.361
document_4889 727.3690 727.3690 None 0.088 0.122
document_4057 679.3290 679.3290 None 0.072 0.095
document_4999 734.3780 734.3780 None 0.071 0.413
document_1229 441.3510 441.3510 None 0.066 0.208
document_5084 738.4580 738.4580 None 0.065 0.187

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.