Mass2Motif: motif_59

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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 0.9621261780862425. 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_172.0500 0.360
fragment_152.0500 0.197
fragment_129.0500 0.065
fragment_62.0500 0.050
loss_171.0500 0.029
fragment_415.1500 0.025
fragment_401.1500 0.019
fragment_269.1500 0.018
fragment_204.9500 0.016
fragment_387.2500 0.012
fragment_446.7500 0.010
loss_97.0500 0.008
fragment_490.2500 0.008
fragment_183.5500 0.007
fragment_613.5500 0.007
fragment_416.0500 0.006
fragment_236.0500 0.006
loss_177.3500 0.005
fragment_262.9500 0.005
fragment_193.9500 0.005
fragment_207.9500 0.005
loss_118.1500 0.004
fragment_318.1500 0.004
fragment_152.1500 0.004
fragment_331.6500 0.003
loss_88.5500 0.003
fragment_132.0500 0.003
fragment_174.0500 0.003
loss_160.1500 0.003
fragment_127.1500 0.003
fragment_764.1500 0.003
fragment_72.0500 0.003
fragment_416.2500 0.003
fragment_254.1500 0.002
loss_21.3500 0.002
fragment_752.4500 0.002
loss_33.0500 0.002
loss_159.0500 0.002
loss_20.3500 0.002
fragment_765.1500 0.002
loss_193.9500 0.002
fragment_281.1500 0.002
loss_32.0500 0.002
fragment_130.4500 0.002
loss_170.0500 0.002
loss_25.0500 0.002
fragment_760.4500 0.002
loss_157.1500 0.002
fragment_131.1500 0.002
fragment_245.0500 0.002
fragment_569.2500 0.002
fragment_656.3500 0.002
fragment_848.5500 0.002
loss_129.1500 0.001
loss_75.0500 0.001
fragment_753.4500 0.001
loss_74.0500 0.001
fragment_171.0500 0.001
fragment_529.2500 0.001
loss_136.3500 0.001
fragment_513.2500 0.001
fragment_649.1500 0.001
loss_80.9500 0.001
fragment_402.1500 0.001
fragment_469.0500 0.001
fragment_454.2500 0.001
fragment_240.1500 0.001
fragment_547.2500 0.001
fragment_331.0500 0.001
fragment_651.1500 0.001
loss_134.3500 0.001
loss_52.5500 0.001

Counts of Classyfire Substituent terms

Term name Count in motif Percentage in motif Percentage in experiment Absolute difference
Hydrocarbon derivative 38 100 100 0
Organooxygen compound 37 97.4 95.3 2.0
Organic nitrogen compound 26 68.4 55.6 12.8
Organonitrogen compound 25 65.8 54.1 11.7
Organopnictogen compound 21 55.3 45.2 10.0
Carbonyl group 19 50 44.0 6.0
Azacycle 10 26.3 22.6 3.7
Alcohol 5 13.2 14.7 1.5
Amine 4 10.5 4.4 6.2
Organoheterocyclic compound 4 10.5 13.3 2.8
Oxacycle 4 10.5 7.9 2.6
Benzenoid 4 10.5 18.3 7.8
Secondary alcohol 3 7.9 7.7 0.2
Heteroaromatic compound 2 5.3 5.8 0.5
Aromatic heteropolycyclic compound 2 5.3 9.6 4.4
Carboxamide group 1 2.6 5.5 2.8
Polyol 1 2.6 1.6 1.0
Carboxylic acid ester 1 2.6 1.8 0.8

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_516 420.1280 420.1280 None 0.677 0.208
document_5461 785.5300 785.5300 None 0.618 0.404
document_3076 587.2870 587.2870 None 0.573 0.483
document_1186 440.2780 440.2780 None 0.465 0.438
document_3812 657.3760 657.3760 None 0.445 0.279
document_3712 644.3040 644.3040 None 0.397 0.406
document_45 401.2410 401.2410 None 0.358 0.568
document_37 401.2170 401.2170 None 0.263 0.399
document_265 413.2010 413.2010 None 0.248 0.092
document_3608 638.2090 638.2090 None 0.232 0.219
document_38 401.2230 401.2230 None 0.209 0.373
document_36 401.2070 401.2070 None 0.181 0.381
document_386 415.1240 415.1240 None 0.169 0.389
document_1804 483.1150 483.1150 7-OH-staurosporine 0.143 0.392
document_421 418.1670 418.1670 None 0.132 0.231
document_5698 869.4130 869.4130 None 0.121 0.362
document_1391 452.2720 452.2720 None 0.120 0.412
document_715 426.2600 426.2600 None 0.108 0.439
document_2959 573.3200 573.3200 None 0.100 0.392
document_4429 702.8590 702.8590 None 0.088 0.197
document_3113 590.4170 590.4170 None 0.087 0.425
document_3205 598.2220 598.2220 None 0.084 0.429
document_2619 543.2710 543.2710 None 0.084 0.211
document_193 407.2790 407.2790 None 0.080 0.197
document_1407 454.2910 454.2910 None 0.080 0.440
document_1629 467.2010 467.2010 Staurosporine 0.079 0.392
document_1196 441.1920 441.1920 None 0.075 0.408
document_5562 817.2720 817.2720 None 0.071 0.360
document_3611 638.2590 638.2590 None 0.069 0.197
document_3112 590.4170 590.4170 None 0.069 0.425
document_522 420.7330 420.7330 None 0.065 0.199
document_1613 466.2900 466.2900 None 0.058 0.411
document_1384 451.2160 451.2160 None 0.058 0.360
document_1195 441.1930 441.1930 None 0.058 0.410
document_2803 561.3970 561.3970 None 0.057 0.197
document_1652 468.3070 468.3070 None 0.057 0.360
document_1390 452.2740 452.2740 None 0.055 0.411
document_2013 495.2870 495.2870 None 0.052 0.373

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.