Mass2Motif: motif_216

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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 0.9670300704322259. 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_459.2500 0.100
fragment_437.2500 0.067
fragment_669.3500 0.059
loss_59.0500 0.039
loss_114.1500 0.034
loss_53.0500 0.031
loss_79.0500 0.030
loss_54.0500 0.028
fragment_575.3500 0.026
fragment_417.2500 0.025
fragment_105.0500 0.025
fragment_801.4500 0.022
fragment_705.4500 0.021
fragment_489.1500 0.021
fragment_637.3500 0.020
loss_61.0500 0.019
fragment_453.1500 0.016
fragment_424.2500 0.013
fragment_416.2500 0.013
loss_36.0500 0.012
fragment_145.0500 0.011
fragment_174.0500 0.011
fragment_705.1500 0.011
loss_156.0500 0.010
fragment_445.2500 0.010
fragment_310.1500 0.010
loss_196.3500 0.009
fragment_430.1500 0.009
fragment_371.1500 0.009
fragment_491.1500 0.009
fragment_288.9500 0.009
loss_160.0500 0.008
fragment_424.0500 0.007
fragment_478.2500 0.007
fragment_655.3500 0.007
fragment_434.2500 0.007
loss_127.0500 0.007
fragment_349.2500 0.007
fragment_177.9500 0.006
fragment_638.3500 0.006
fragment_639.3500 0.006
fragment_355.5500 0.005
loss_129.6500 0.005
loss_175.1500 0.005
fragment_531.0500 0.005
loss_61.3500 0.005
fragment_670.3500 0.005
fragment_289.1500 0.005
fragment_372.9500 0.005
fragment_460.2500 0.005
loss_64.0500 0.004
loss_58.0500 0.004
fragment_455.1500 0.004
loss_181.1500 0.004
loss_172.1500 0.004
fragment_349.0500 0.004
loss_61.2500 0.004
loss_191.1500 0.004
fragment_179.0500 0.004
loss_149.0500 0.004
loss_45.9500 0.004
fragment_223.1500 0.004
fragment_454.1500 0.004
fragment_411.0500 0.003
loss_84.0500 0.003
fragment_190.1500 0.003
loss_92.2500 0.003
fragment_303.0500 0.003
fragment_411.8500 0.003
loss_180.4500 0.003
loss_167.2500 0.003
loss_83.0500 0.003
fragment_455.0500 0.003
fragment_366.8500 0.003
fragment_640.3500 0.003
loss_122.0500 0.002
fragment_348.2500 0.002
fragment_219.6500 0.002
fragment_678.3500 0.002
fragment_315.2500 0.002
fragment_471.1500 0.002
fragment_706.3500 0.002
fragment_427.2500 0.002
fragment_72.0500 0.002
fragment_161.3500 0.002
fragment_406.2500 0.002
loss_160.9500 0.002
fragment_294.8500 0.002
loss_153.2500 0.002
loss_59.1500 0.001
fragment_64.9500 0.001
fragment_112.1500 0.001
fragment_148.0500 0.001
loss_103.0500 0.001

Counts of Classyfire Substituent terms

Term name Count in motif Percentage in motif Percentage in experiment Absolute difference
Hydrocarbon derivative 26 100 100 0
Organooxygen compound 26 100 95.3 4.7
Carbonyl group 16 61.5 44.0 17.5
Organic nitrogen compound 15 57.7 55.6 2.1
Organonitrogen compound 14 53.8 54.1 0.3
Organopnictogen compound 9 34.6 45.2 10.6
Azacycle 6 23.1 22.6 0.5
Carboxylic acid ester 5 19.2 1.8 17.4
Benzenoid 4 15.4 18.3 3.0
Organoheterocyclic compound 3 11.5 13.3 1.8
Alcohol 2 7.7 14.7 7.0
Carboxamide group 2 7.7 5.5 2.2
Aromatic heteropolycyclic compound 1 3.8 9.6 5.8
Oxacycle 1 3.8 7.9 4.1
Secondary alcohol 1 3.8 7.7 3.9

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_5653 841.3330 841.3330 None 0.776 0.076
document_4503 704.4140 704.4140 None 0.743 0.067
document_1683 470.2910 470.2910 None 0.594 0.221
document_4864 723.4100 723.4100 None 0.547 0.173
document_248 412.2360 412.2360 None 0.538 0.056
document_2385 518.3200 518.3200 None 0.535 0.155
document_3140 592.3420 592.3420 None 0.494 0.107
document_1763 476.2770 476.2770 None 0.444 0.126
document_4373 699.3490 699.3490 None 0.418 0.111
document_1862 485.2700 485.2700 None 0.389 0.125
document_1347 448.1750 448.1750 None 0.345 0.082
document_2364 516.3000 516.3000 None 0.316 0.122
document_4717 716.4150 716.4150 None 0.233 0.029
document_2008 495.2830 495.2830 None 0.191 0.212
document_3725 645.3580 645.3580 None 0.105 0.109
document_4152 686.4710 686.4710 None 0.102 0.034
document_5261 753.3460 753.3460 None 0.098 0.106
document_2007 495.2840 495.2840 None 0.090 0.223
document_1406 453.7830 453.7830 None 0.071 0.072
document_3228 601.9920 601.9920 None 0.066 0.169
document_2789 560.2900 560.2900 None 0.063 0.091
document_1787 478.2510 478.2510 None 0.063 0.047
document_4372 699.3410 699.3410 None 0.058 0.059
document_2993 577.3130 577.3130 None 0.056 0.073
document_2009 495.2840 495.2840 None 0.055 0.194
document_5315 760.4340 760.4340 None 0.053 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.