Mass2Motif: motif_86

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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 0.9637719613341574. 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_216.9500 0.263
fragment_438.2500 0.090
fragment_218.9500 0.077
fragment_88.1500 0.064
fragment_74.0500 0.046
loss_64.1500 0.043
fragment_380.3500 0.030
fragment_368.1500 0.026
fragment_439.2500 0.023
fragment_644.3500 0.019
loss_64.5500 0.015
fragment_306.1500 0.015
loss_109.9500 0.014
fragment_80.9500 0.012
loss_72.0500 0.011
fragment_167.0500 0.011
fragment_409.1500 0.011
fragment_90.0500 0.011
fragment_381.3500 0.009
fragment_352.8500 0.008
fragment_206.9500 0.007
fragment_410.8500 0.006
fragment_682.2500 0.005
fragment_428.3500 0.005
fragment_161.1500 0.005
fragment_645.3500 0.005
fragment_325.2500 0.005
loss_164.0500 0.005
fragment_691.4500 0.005
fragment_154.0500 0.004
loss_84.2500 0.004
fragment_403.1500 0.004
fragment_204.0500 0.004
fragment_556.8500 0.004
fragment_576.8500 0.004
fragment_342.8500 0.003
fragment_515.2500 0.003
fragment_649.3500 0.003
fragment_496.2500 0.003
fragment_52.0500 0.003
fragment_479.1500 0.003
loss_186.2500 0.003
fragment_676.0500 0.003
loss_63.0500 0.003
loss_71.0500 0.003
loss_149.2500 0.003
loss_134.2500 0.003
fragment_675.4500 0.003
fragment_349.4500 0.003
fragment_846.2500 0.002
fragment_442.6500 0.002
fragment_784.4500 0.002
fragment_221.9500 0.002
fragment_721.2500 0.002
fragment_693.4500 0.002
fragment_354.9500 0.002
fragment_282.9500 0.002
fragment_726.3500 0.002
fragment_280.9500 0.002
fragment_845.8500 0.002
fragment_575.8500 0.002
fragment_217.0500 0.002
fragment_667.3500 0.002
fragment_284.9500 0.002
fragment_789.4500 0.002
loss_108.9500 0.002
fragment_382.3500 0.002
fragment_184.1500 0.001
fragment_307.1500 0.001
fragment_642.0500 0.001
loss_150.9500 0.001
loss_88.0500 0.001
fragment_461.1500 0.001
fragment_540.2500 0.001
fragment_650.7500 0.001
fragment_397.3500 0.001
loss_188.1500 0.001
fragment_368.9500 0.001
fragment_414.8500 0.001
fragment_297.2500 0.001
loss_105.0500 0.001

Counts of Classyfire Substituent terms

Term name Count in motif Percentage in motif Percentage in experiment Absolute difference
Hydrocarbon derivative 56 100 100 0
Organooxygen compound 55 98.2 95.3 2.9
Organic nitrogen compound 36 64.3 55.6 8.7
Organonitrogen compound 34 60.7 54.1 6.6
Organopnictogen compound 31 55.4 45.2 10.1
Carbonyl group 22 39.3 44.0 4.7
Benzenoid 22 39.3 18.3 20.9
Azacycle 21 37.5 22.6 14.9
Aromatic heteropolycyclic compound 11 19.6 9.6 10.0
Alcohol 7 12.5 14.7 2.2
Organoheterocyclic compound 5 8.9 13.3 4.4
Heteroaromatic compound 5 8.9 5.8 3.2
Oxacycle 4 7.1 7.9 0.8
Aliphatic acyclic compound 4 7.1 2.9 4.2
Secondary alcohol 2 3.6 7.7 4.1
Amine 2 3.6 4.4 0.8
Primary alcohol 1 1.8 0.9 0.9
Carboxylic acid ester 1 1.8 1.8 0.0
Oxane 1 1.8 1.9 0.1
Polyol 1 1.8 1.6 0.2
Acetal 1 1.8 1.5 0.3
Glycosyl compound 1 1.8 0.7 1.0
Carboxamide group 1 1.8 5.5 3.7
1-hydroxy-2-unsubstituted benzenoid 1 1.8 1.3 0.5

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_3039 583.4440 583.4440 None 0.977 0.040
document_5676 855.4430 855.4430 None 0.808 0.211
document_5240 748.4660 748.4660 None 0.795 0.309
document_5677 855.4500 855.4500 Salinamide E 0.728 0.219
document_1920 487.3590 487.3590 None 0.595 0.335
document_3347 613.2470 613.2470 None 0.556 0.359
document_1877 485.3760 485.3760 None 0.547 0.452
document_3445 624.4950 624.4950 None 0.541 0.366
document_1880 485.3760 485.3760 None 0.524 0.410
document_1882 485.3780 485.3780 None 0.487 0.384
document_2310 511.2820 511.2820 None 0.480 0.137
document_1881 485.7370 485.7370 None 0.468 0.324
document_2420 523.2070 523.2070 None 0.460 0.017
document_5355 767.4300 767.4300 None 0.406 0.376
document_5881 1049.6021 1049.6021 None 0.385 0.021
document_517 420.2340 420.2340 None 0.326 0.283
document_1869 485.2900 485.2900 None 0.247 0.121
document_3935 672.3480 672.3480 None 0.227 0.115
document_631 421.2360 421.2360 None 0.227 0.351
document_521 420.6840 420.6840 None 0.226 0.093
document_1916 487.3640 487.3640 None 0.223 0.280
document_1878 486.2730 486.2730 None 0.177 0.385
document_1910 487.3570 487.3570 None 0.174 0.142
document_2740 555.6530 555.6530 None 0.152 0.359
document_4503 704.4140 704.4140 None 0.151 0.090
document_1918 487.3580 487.3580 None 0.150 0.263
document_1599 464.3690 464.3690 None 0.146 0.110
document_1919 487.3660 487.3660 None 0.138 0.265
document_490 419.2760 419.2760 None 0.135 0.267
document_1867 485.2910 485.2910 None 0.135 0.277
document_2769 557.3260 557.3260 None 0.133 0.367
document_3339 613.2480 613.2480 None 0.129 0.263
document_1463 457.3040 457.3040 None 0.128 0.043
document_1914 487.3580 487.3580 None 0.121 0.273
document_1938 489.6890 489.6890 None 0.120 0.088
document_2307 511.2790 511.2790 None 0.114 0.134
document_73 401.2700 401.2700 None 0.101 0.088
document_435 419.0380 419.0380 None 0.089 0.263
document_3345 613.2470 613.2470 None 0.084 0.263
document_1876 488.3390 488.3390 None 0.084 0.408
document_5166 740.5200 740.5200 None 0.076 0.268
document_1857 485.2670 485.2670 None 0.075 0.263
document_5028 735.4100 735.4100 None 0.073 0.275
document_1868 485.3090 485.3090 None 0.072 0.327
document_1917 488.8920 488.8920 None 0.069 0.327
document_1489 457.4010 457.4010 None 0.067 0.076
document_2749 555.2930 555.2930 None 0.067 0.263
document_606 421.2330 421.2330 None 0.066 0.320
document_228 410.2170 410.2170 None 0.066 0.065
document_604 421.2320 421.2320 None 0.063 0.351
document_2770 557.3260 557.3260 None 0.062 0.341
document_2760 556.3520 556.3520 None 0.060 0.262
document_2147 498.9010 498.9010 None 0.058 0.263
document_586 421.2320 421.2320 None 0.058 0.077
document_1212 441.2650 441.2650 None 0.056 0.263
document_3082 587.8560 587.8560 None 0.054 0.026

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.