Mass2Motif: motif_23

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 0.9543704078875314. 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_282.2500 0.180
fragment_281.2500 0.126
fragment_253.2500 0.070
fragment_396.2500 0.043
fragment_368.2500 0.042
fragment_382.2500 0.033
fragment_287.2500 0.031
fragment_265.2500 0.023
fragment_243.2500 0.021
fragment_453.2500 0.020
loss_133.2500 0.019
fragment_228.1500 0.015
fragment_247.2500 0.015
fragment_315.0500 0.015
fragment_187.0500 0.014
fragment_759.5500 0.014
fragment_633.3500 0.012
fragment_196.1500 0.012
fragment_340.0500 0.011
loss_184.2500 0.011
fragment_169.0500 0.010
fragment_141.1500 0.010
fragment_623.3500 0.009
fragment_570.2500 0.009
fragment_524.4500 0.008
loss_153.9500 0.008
fragment_268.1500 0.008
fragment_525.2500 0.007
fragment_397.2500 0.007
loss_173.2500 0.007
fragment_481.3500 0.007
fragment_90.0500 0.006
fragment_121.9500 0.006
fragment_251.2500 0.006
fragment_504.3500 0.006
loss_169.4500 0.006
fragment_524.1500 0.005
fragment_352.2500 0.005
fragment_393.9500 0.005
fragment_196.2500 0.004
fragment_623.0500 0.004
loss_55.3500 0.004
fragment_201.5500 0.004
fragment_593.1500 0.004
fragment_392.2500 0.004
loss_42.1500 0.004
fragment_434.2500 0.004
fragment_397.6500 0.003
fragment_353.8500 0.003
loss_78.6500 0.003
fragment_244.4500 0.003
loss_68.1500 0.003
fragment_177.1500 0.003
fragment_708.4500 0.002
fragment_461.2500 0.002
fragment_266.2500 0.002
loss_170.4500 0.002
loss_156.0500 0.002
fragment_181.0500 0.002
fragment_469.1500 0.002
fragment_506.6500 0.002
fragment_163.1500 0.002
fragment_294.0500 0.002
fragment_490.9500 0.002
fragment_380.1500 0.002
loss_128.2500 0.002
fragment_67.0500 0.002
fragment_188.1500 0.002
fragment_419.3500 0.002
fragment_517.1500 0.001
loss_180.1500 0.001
fragment_165.1500 0.001
fragment_722.1500 0.001
loss_54.4500 0.001
fragment_651.0500 0.001
loss_67.4500 0.001
fragment_161.1500 0.001
loss_19.0500 0.001
fragment_514.8500 0.001

Counts of Classyfire Substituent terms

Term name Count in motif Percentage in motif Percentage in experiment Absolute difference
Hydrocarbon derivative 19 100 100 0
Organooxygen compound 19 100 95.3 4.7
Carbonyl group 10 52.6 44.0 8.6
Organic nitrogen compound 7 36.8 55.6 18.8
Organonitrogen compound 7 36.8 54.1 17.3
Organoheterocyclic compound 5 26.3 13.3 13.0
Alcohol 5 26.3 14.7 11.7
Azacycle 4 21.1 22.6 1.6
Organopnictogen compound 4 21.1 45.2 24.2
Benzenoid 4 21.1 18.3 2.7
Secondary alcohol 3 15.8 7.7 8.1
Oxacycle 3 15.8 7.9 7.9
1-hydroxy-2-unsubstituted benzenoid 3 15.8 1.3 14.5
Phenol 2 10.5 0.5 10.1
Aliphatic acyclic compound 2 10.5 2.9 7.6
Aromatic heteropolycyclic compound 1 5.3 9.6 4.4
Oxane 1 5.3 1.9 3.4
O-glycosyl compound 1 5.3 1.2 4.1
Polyol 1 5.3 1.6 3.7
Acetal 1 5.3 1.5 3.8

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_5672 853.5130 853.5130 None 0.812 0.185
document_2825 563.5490 563.5490 None 0.692 0.224
document_2824 563.5500 563.5500 None 0.614 0.224
document_2434 524.3430 524.3430 None 0.606 0.438
document_4362 697.3660 697.3660 None 0.514 0.152
document_1637 467.3230 467.3230 None 0.488 0.267
document_1768 476.3050 476.3050 None 0.211 0.049
document_3940 673.7100 673.7100 None 0.188 0.076
document_5426 776.5660 776.5660 None 0.145 0.027
document_4002 678.4780 678.4780 None 0.121 0.030
document_4821 718.5320 718.5320 None 0.111 0.072
document_1968 492.3510 492.3510 None 0.107 0.034
document_3194 595.5430 595.5430 None 0.093 0.130
document_4298 692.4160 692.4160 None 0.089 0.182
document_1820 481.3400 481.3400 None 0.087 0.147
document_1884 485.3940 485.3940 None 0.076 0.130
document_2081 498.3990 498.3990 None 0.059 0.061
document_4403 702.6810 702.6810 None 0.053 0.023
document_4825 718.5380 718.5380 None 0.053 0.180

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.