Mass2Motif: motif_162

Return to experiment crusemann

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 0.9681583206815222. 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_91.0500 0.134
fragment_404.2500 0.095
fragment_422.2500 0.093
loss_109.0500 0.077
fragment_154.0500 0.046
fragment_386.2500 0.027
fragment_253.1500 0.026
loss_90.0500 0.023
loss_127.0500 0.017
fragment_475.2500 0.016
fragment_761.4500 0.016
fragment_192.9500 0.015
loss_75.0500 0.015
fragment_493.2500 0.015
loss_107.0500 0.015
fragment_405.2500 0.014
loss_92.0500 0.013
fragment_744.3500 0.013
loss_108.0500 0.012
fragment_394.2500 0.011
fragment_281.1500 0.010
fragment_423.2500 0.010
fragment_495.2500 0.009
fragment_762.4500 0.009
loss_74.0500 0.009
loss_174.0500 0.009
fragment_662.3500 0.008
fragment_142.0500 0.008
fragment_476.2500 0.008
loss_125.0500 0.008
fragment_169.0500 0.006
fragment_477.2500 0.006
fragment_745.3500 0.006
fragment_282.1500 0.006
fragment_457.2500 0.006
loss_190.0500 0.006
fragment_323.1500 0.005
fragment_387.2500 0.005
fragment_467.2500 0.005
loss_173.0500 0.005
loss_106.0500 0.005
loss_54.0500 0.005
fragment_352.1500 0.004
fragment_663.3500 0.004
loss_190.1500 0.004
fragment_271.3500 0.004
fragment_549.2500 0.004
fragment_494.2500 0.003
fragment_646.3500 0.003
loss_83.0500 0.003
fragment_478.2500 0.003
fragment_430.2500 0.003
fragment_192.0500 0.003
fragment_78.0500 0.003
loss_126.0500 0.003
fragment_145.0500 0.003
fragment_185.9500 0.003
fragment_194.0500 0.003
fragment_648.3500 0.003
loss_124.0500 0.003
loss_47.0500 0.002
fragment_466.2500 0.002
loss_188.1500 0.002
loss_169.0500 0.002
fragment_459.2500 0.002
fragment_100.4500 0.002
fragment_645.3500 0.002
loss_191.1500 0.002
loss_177.1500 0.002
fragment_344.2500 0.002
fragment_534.2500 0.002
fragment_305.9500 0.002
fragment_281.2500 0.002
loss_64.5500 0.002
loss_34.0500 0.002
fragment_405.6500 0.002
loss_107.6500 0.002
loss_73.0500 0.002
fragment_771.8500 0.002
fragment_123.1500 0.002
fragment_265.1500 0.002
fragment_222.1500 0.002
fragment_336.1500 0.002
loss_117.0500 0.002
fragment_324.2500 0.002
fragment_187.0500 0.002
fragment_277.1500 0.001
fragment_763.4500 0.001
loss_179.1500 0.001
fragment_217.0500 0.001
fragment_334.1500 0.001
fragment_705.3500 0.001
loss_131.1500 0.001
fragment_521.2500 0.001
fragment_323.2500 0.001
fragment_569.2500 0.001
fragment_977.7500 0.001
loss_189.0500 0.001

Counts of Classyfire Substituent terms

Term name Count in motif Percentage in motif Percentage in experiment Absolute difference
Hydrocarbon derivative 23 100 100 0
Organooxygen compound 23 100 95.3 4.7
Organic nitrogen compound 19 82.6 55.6 27.0
Organonitrogen compound 19 82.6 54.1 28.5
Organopnictogen compound 18 78.3 45.2 33.0
Carbonyl group 16 69.6 44.0 25.5
Azacycle 13 56.5 22.6 33.9
Carboxamide group 7 30.4 5.5 25.0
Organoheterocyclic compound 7 30.4 13.3 17.1
Alcohol 4 17.4 14.7 2.7
Carboxylic acid ester 2 8.7 1.8 6.9
Oxacycle 2 8.7 7.9 0.8
Benzenoid 2 8.7 18.3 9.7
Aromatic heteropolycyclic compound 2 8.7 9.6 1.0
Amine 2 8.7 4.4 4.3
Secondary alcohol 1 4.3 7.7 3.4

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_5615 836.4490 836.4490 None 0.976 0.281
document_2337 513.2940 513.2940 None 0.912 0.641
document_2341 513.2960 513.2960 None 0.898 0.477
document_2336 513.2940 513.2940 None 0.778 0.324
document_2340 513.2930 513.2930 None 0.756 0.520
document_2308 511.2780 511.2780 None 0.715 0.433
document_408 416.1700 416.1700 None 0.330 0.159
document_2307 511.2790 511.2790 None 0.283 0.326
document_2305 511.2340 511.2340 None 0.236 0.156
document_2800 561.3640 561.3640 None 0.190 0.110
document_49 401.2470 401.2470 None 0.187 0.022
document_2343 513.2970 513.2970 None 0.178 0.143
document_2284 509.2180 509.2180 None 0.139 0.156
document_5432 778.4020 778.4020 None 0.134 0.096
document_2342 513.2960 513.2960 None 0.127 0.263
document_542 421.2300 421.2300 None 0.112 0.062
document_4056 679.3160 679.3160 None 0.107 0.094
document_3291 608.3420 608.3420 None 0.105 0.114
document_5354 767.3690 767.3690 None 0.093 0.154
document_2299 511.2020 511.2020 None 0.075 0.134
document_1982 493.2780 493.2780 None 0.057 0.088
document_2450 526.2600 526.2600 None 0.054 0.078
document_392 415.2690 415.2690 None 0.053 0.015

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.