Mass2Motif: motif_291

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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 0.9030130840616064. 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_435.3500 0.145
fragment_577.3500 0.069
fragment_394.1500 0.052
fragment_436.3500 0.048
loss_97.8500 0.033
fragment_507.2500 0.032
fragment_343.3500 0.031
fragment_577.8500 0.029
fragment_610.3500 0.024
fragment_656.4500 0.021
fragment_610.8500 0.020
loss_142.9500 0.017
fragment_325.1500 0.016
fragment_936.4500 0.014
fragment_608.3500 0.014
fragment_129.0500 0.011
loss_145.5500 0.010
loss_125.8500 0.010
fragment_326.1500 0.010
fragment_474.2500 0.010
fragment_385.1500 0.009
fragment_578.3500 0.009
fragment_479.2500 0.009
fragment_344.3500 0.008
fragment_221.1500 0.007
fragment_508.2500 0.007
loss_149.0500 0.007
fragment_821.4500 0.007
loss_66.9500 0.007
fragment_571.2500 0.007
loss_142.4500 0.007
fragment_155.0500 0.006
loss_56.4500 0.006
fragment_395.1500 0.006
fragment_612.8500 0.006
loss_154.5500 0.006
fragment_611.3500 0.005
fragment_295.2500 0.005
fragment_447.3500 0.005
fragment_460.2500 0.004
fragment_937.4500 0.004
fragment_480.3500 0.004
fragment_327.1500 0.004
fragment_475.2500 0.004
fragment_512.2500 0.004
loss_63.8500 0.004
fragment_480.2500 0.004
fragment_294.1500 0.004
loss_152.0500 0.003
fragment_58.3500 0.003
fragment_695.3500 0.003
fragment_702.3500 0.003
fragment_265.1500 0.003
fragment_70.0500 0.003
fragment_345.3500 0.003
loss_65.7500 0.003
fragment_233.0500 0.003
fragment_297.0500 0.003
loss_58.5500 0.003
loss_145.0500 0.002
loss_21.0500 0.002
fragment_76.5500 0.002
fragment_884.4500 0.002
loss_197.8500 0.002
fragment_301.6500 0.002
fragment_152.9500 0.002
fragment_380.1500 0.002
fragment_512.3500 0.002
fragment_388.1500 0.002
fragment_410.2500 0.002
fragment_578.8500 0.002
loss_144.5500 0.002
fragment_361.2500 0.002
loss_113.6500 0.002
fragment_374.1500 0.002
fragment_305.2500 0.002
fragment_710.3500 0.002
fragment_725.3500 0.002
fragment_309.1500 0.002
loss_148.0500 0.002
fragment_822.4500 0.002
fragment_280.1500 0.002
fragment_169.0500 0.002
loss_141.9500 0.001
fragment_572.2500 0.001
fragment_839.2500 0.001
fragment_125.1500 0.001
fragment_410.7500 0.001
loss_179.6500 0.001
fragment_473.1500 0.001
fragment_448.3500 0.001
fragment_192.1500 0.001
fragment_360.1500 0.001
fragment_293.1500 0.001
fragment_470.2500 0.001
fragment_381.3500 0.001
fragment_525.2500 0.001
loss_80.0500 0.001
fragment_790.0500 0.001
fragment_296.1500 0.001
fragment_307.1500 0.001
fragment_673.0500 0.001
loss_50.2500 0.001
fragment_751.0500 0.001
loss_112.4500 0.001
fragment_661.8500 0.001
loss_61.5500 0.001
fragment_417.0500 0.001
fragment_394.8500 0.001
loss_198.0500 0.001
fragment_380.2500 0.001
fragment_371.7500 0.001
fragment_55.0500 0.001
fragment_825.5500 0.001
fragment_79.0500 0.001
fragment_147.1500 0.001
fragment_67.0500 0.001
fragment_790.3500 0.001

Counts of Classyfire Substituent terms

Term name Count in motif Percentage in motif Percentage in experiment Absolute difference
Hydrocarbon derivative 24 100 100 0
Organooxygen compound 23 95.8 95.3 0.5
Organic nitrogen compound 17 70.8 55.6 15.2
Organonitrogen compound 17 70.8 54.1 16.7
Carbonyl group 16 66.7 44.0 22.6
Organopnictogen compound 15 62.5 45.2 17.3
Azacycle 9 37.5 22.6 14.9
Alcohol 7 29.2 14.7 14.5
Organoheterocyclic compound 5 20.8 13.3 7.5
Secondary alcohol 3 12.5 7.7 4.8
Carboxamide group 3 12.5 5.5 7.0
Oxacycle 2 8.3 7.9 0.4
Benzenoid 2 8.3 18.3 10.0
Aromatic heteropolycyclic compound 2 8.3 9.6 1.3
Primary alcohol 1 4.2 0.9 3.3
Oxane 1 4.2 1.9 2.3
O-glycosyl compound 1 4.2 1.2 3.0
Polyol 1 4.2 1.6 2.6
Acetal 1 4.2 1.5 2.7
Glycosyl compound 1 4.2 0.7 3.4
Amine 1 4.2 4.4 0.2
Heteroaromatic compound 1 4.2 5.8 1.6

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_4831 720.3070 720.3070 None 0.956 0.223
document_5689 863.5060 863.5060 None 0.870 0.205
document_4863 723.3650 723.3650 None 0.709 0.170
document_3915 669.3380 669.3380 None 0.683 0.068
document_4862 723.3660 723.3660 None 0.633 0.221
document_3615 638.3070 638.3070 None 0.608 0.115
document_3095 588.3990 588.3990 None 0.556 0.256
document_3116 590.4180 590.4180 None 0.534 0.245
document_3893 666.8650 666.8650 None 0.505 0.114
document_3119 590.4170 590.4170 None 0.504 0.215
document_3117 590.4170 590.4170 None 0.489 0.188
document_3118 590.4190 590.4190 None 0.487 0.248
document_3114 590.4190 590.4190 None 0.467 0.236
document_3115 590.4190 590.4190 None 0.378 0.212
document_3120 590.4170 590.4170 None 0.352 0.197
document_442 418.9680 418.9680 None 0.278 0.060
document_5908 1129.7100 1129.7100 None 0.173 0.069
document_4885 726.4390 726.4390 None 0.173 0.087
document_439 419.0200 419.0200 None 0.109 0.035
document_5707 872.4510 872.4510 None 0.102 0.141
document_1667 469.1940 469.1940 None 0.074 0.078
document_3139 592.3330 592.3330 None 0.073 0.058
document_5592 819.5000 819.5000 None 0.057 0.069
document_3331 612.3990 612.3990 None 0.055 0.157

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.