Mass2Motif: motif_217

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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 0.9448812295734699. 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_90.9500 0.270
fragment_311.2500 0.094
loss_119.2500 0.089
loss_119.6500 0.073
loss_177.7500 0.062
loss_147.7500 0.055
loss_119.5500 0.041
loss_39.7500 0.038
loss_101.7500 0.019
loss_135.7500 0.019
loss_135.8500 0.019
loss_105.7500 0.013
fragment_329.1500 0.013
loss_177.6500 0.012
loss_180.5500 0.008
fragment_250.0500 0.008
loss_118.5500 0.007
loss_117.6500 0.007
loss_118.2500 0.006
loss_65.7500 0.006
loss_101.6500 0.005
loss_33.6500 0.005
loss_147.6500 0.005
fragment_67.3500 0.004
fragment_158.9500 0.004
fragment_356.3500 0.004
loss_62.6500 0.004
loss_182.9500 0.004
fragment_236.1500 0.004
fragment_325.1500 0.003
fragment_325.2500 0.003
loss_64.6500 0.003
loss_37.7500 0.003
loss_181.7500 0.003
fragment_361.0500 0.003
loss_80.9500 0.002
loss_163.8500 0.002
loss_57.7500 0.002
fragment_124.4500 0.002
fragment_277.9500 0.002
fragment_55.0500 0.002
fragment_310.0500 0.002
fragment_92.9500 0.002
loss_120.5500 0.002
loss_59.6500 0.002
fragment_182.9500 0.002
loss_105.6500 0.002
loss_99.7500 0.001
fragment_331.1500 0.001
fragment_312.2500 0.001
fragment_295.9500 0.001
fragment_157.9500 0.001

Counts of Classyfire Substituent terms

Term name Count in motif Percentage in motif Percentage in experiment Absolute difference
Hydrocarbon derivative 34 100 100 0
Organooxygen compound 33 97.1 95.3 1.7
Benzenoid 26 76.5 18.3 58.1
Organonitrogen compound 16 47.1 54.1 7.1
Organic nitrogen compound 13 38.2 55.6 17.4
Organopnictogen compound 13 38.2 45.2 7.0
Aromatic heteropolycyclic compound 13 38.2 9.6 28.6
Heteroaromatic compound 3 8.8 5.8 3.1
Azacycle 1 2.9 22.6 19.7
Carbonyl group 1 2.9 44.0 41.1

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_868 430.5390 430.5390 None 0.501 0.456
document_897 430.5840 430.5840 None 0.488 0.484
document_893 430.8300 430.8300 None 0.417 0.494
document_981 430.9130 430.9130 None 0.341 0.469
document_844 430.9090 430.9090 None 0.287 0.628
document_974 430.9140 430.9140 None 0.286 0.462
document_917 430.9130 430.9130 None 0.269 0.627
document_944 430.9140 430.9140 None 0.265 0.462
document_930 430.9120 430.9120 None 0.250 0.474
document_435 419.0380 419.0380 None 0.235 0.316
document_899 430.8490 430.8490 None 0.224 0.421
document_954 430.9130 430.9130 None 0.223 0.426
document_966 430.9130 430.9130 None 0.212 0.314
document_951 430.9130 430.9130 None 0.200 0.445
document_898 430.8880 430.8880 None 0.200 0.463
document_977 430.9130 430.9130 None 0.176 0.447
document_961 430.9130 430.9130 None 0.172 0.484
document_949 430.9130 430.9130 None 0.160 0.390
document_972 430.9150 430.9150 None 0.160 0.333
document_992 430.9140 430.9140 None 0.149 0.446
document_913 430.9100 430.9100 None 0.145 0.441
document_963 430.9130 430.9130 None 0.145 0.441
document_947 430.9120 430.9120 None 0.136 0.295
document_997 430.9130 430.9130 None 0.131 0.445
document_867 430.8850 430.8850 None 0.114 0.418
document_943 430.9130 430.9130 None 0.107 0.455
document_985 430.9130 430.9130 None 0.105 0.328
document_929 430.9120 430.9120 None 0.097 0.441
document_957 430.9130 430.9130 None 0.097 0.347
document_939 430.9120 430.9120 None 0.095 0.449
document_941 430.9130 430.9130 None 0.092 0.472
document_904 430.9100 430.9100 None 0.082 0.336
document_965 430.9140 430.9140 None 0.052 0.446
document_3287 607.5660 607.5660 None 0.051 0.089

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.