Mass2Motif: motif_130

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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 0.9517908984293224. 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_43.9500 0.189
loss_138.1500 0.100
fragment_242.2500 0.091
fragment_270.3500 0.086
fragment_815.5500 0.067
loss_196.2500 0.040
fragment_816.5500 0.032
fragment_286.0500 0.028
loss_42.9500 0.028
fragment_541.2500 0.026
fragment_332.0500 0.019
loss_161.0500 0.019
fragment_243.2500 0.018
fragment_179.1500 0.016
fragment_58.0500 0.015
fragment_911.6500 0.013
fragment_542.2500 0.012
fragment_288.9500 0.010
fragment_241.2500 0.009
loss_160.0500 0.008
fragment_214.2500 0.007
fragment_341.1500 0.007
fragment_424.8500 0.006
loss_129.0500 0.006
fragment_182.1500 0.006
fragment_298.3500 0.005
fragment_112.1500 0.005
fragment_269.4500 0.005
fragment_271.3500 0.005
fragment_170.1500 0.004
fragment_767.4500 0.004
loss_198.2500 0.004
fragment_184.1500 0.004
fragment_299.3500 0.004
loss_59.9500 0.004
loss_88.0500 0.003
fragment_50.8500 0.003
fragment_817.5500 0.003
fragment_334.0500 0.002
loss_70.9500 0.002
loss_41.9500 0.002
fragment_314.0500 0.002
loss_156.1500 0.002
fragment_57.2500 0.002
loss_71.9500 0.002
fragment_817.0500 0.002
fragment_453.1500 0.002
loss_17.0500 0.002
fragment_188.1500 0.002
fragment_153.7500 0.002
loss_189.3500 0.002
fragment_277.1500 0.002
fragment_335.2500 0.001
fragment_514.2500 0.001
loss_131.3500 0.001
fragment_201.9500 0.001
fragment_81.0500 0.001
fragment_107.9500 0.001
fragment_396.0500 0.001
loss_74.1500 0.001
loss_148.3500 0.001
fragment_149.0500 0.001
fragment_181.0500 0.001
fragment_177.0500 0.001
fragment_614.7500 0.001
fragment_244.4500 0.001
loss_158.8500 0.001

Counts of Classyfire Substituent terms

Term name Count in motif Percentage in motif Percentage in experiment Absolute difference
Hydrocarbon derivative 33 100 100 0
Organooxygen compound 33 100 95.3 4.7
Organic nitrogen compound 20 60.6 55.6 5.0
Organonitrogen compound 19 57.6 54.1 3.5
Organopnictogen compound 15 45.5 45.2 0.2
Carbonyl group 12 36.4 44.0 7.7
Azacycle 7 21.2 22.6 1.4
Organoheterocyclic compound 6 18.2 13.3 4.9
Benzenoid 5 15.2 18.3 3.2
Aromatic heteropolycyclic compound 4 12.1 9.6 2.5
Alcohol 3 9.1 14.7 5.6
Heteroaromatic compound 3 9.1 5.8 3.3
Carboxamide group 2 6.1 5.5 0.6
Primary alcohol 1 3.0 0.9 2.2
Oxacycle 1 3.0 7.9 4.9
Aliphatic acyclic compound 1 3.0 2.9 0.1
Amine 1 3.0 4.4 1.3

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_3056 585.2800 585.2800 None 0.928 0.262
document_465 419.2510 419.2510 None 0.816 0.104
document_2672 549.1140 549.1140 None 0.766 0.028
document_1621 466.5330 466.5330 None 0.758 0.292
document_1675 470.1590 470.1590 None 0.758 0.193
document_131 403.2820 403.2820 None 0.726 0.148
document_466 419.2520 419.2520 None 0.722 0.102
document_464 419.2950 419.2950 None 0.691 0.123
document_1622 466.5330 466.5330 None 0.575 0.278
document_25 401.1340 401.1340 None 0.359 0.229
document_2373 517.2680 517.2680 None 0.354 0.221
document_1993 494.5670 494.5670 None 0.314 0.262
document_3472 627.2630 627.2630 None 0.290 0.019
document_2417 522.5960 522.5960 None 0.277 0.114
document_1847 484.1660 484.1660 None 0.262 0.122
document_1994 494.5650 494.5650 None 0.232 0.118
document_195 408.1940 408.1940 None 0.231 0.220
document_1627 466.5340 466.5340 None 0.208 0.231
document_3106 590.2440 590.2440 None 0.196 0.189
document_27 401.1340 401.1340 None 0.188 0.195
document_4829 720.2620 720.2620 None 0.183 0.189
document_4296 692.2720 692.2720 None 0.152 0.189
document_3967 675.6750 675.6750 None 0.134 0.104
document_4290 691.6330 691.6330 None 0.127 0.109
document_2283 508.5810 508.5810 None 0.104 0.101
document_4828 720.1700 720.1700 None 0.100 0.192
document_2252 506.5280 506.5280 None 0.086 0.087
document_3208 598.3580 598.3580 None 0.085 0.138
document_484 419.2760 419.2760 None 0.081 0.101
document_711 425.9060 425.9060 None 0.059 0.117
document_2246 506.5280 506.5280 None 0.053 0.087
document_3718 644.4630 644.4630 None 0.053 0.189
document_4359 696.4090 696.4090 None 0.052 0.217

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.