Mass2Motif: motif_272

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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 0.9653384274268092. 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_85.0500 0.168
fragment_641.3500 0.147
loss_148.1500 0.052
fragment_375.1500 0.047
fragment_642.3500 0.043
loss_85.1500 0.022
loss_32.0500 0.020
loss_149.1500 0.020
fragment_673.3500 0.018
fragment_868.5500 0.018
fragment_958.3500 0.018
fragment_957.6500 0.018
loss_131.1500 0.017
fragment_976.4500 0.017
fragment_287.1500 0.016
fragment_959.3500 0.015
loss_31.0500 0.013
fragment_554.2500 0.013
fragment_958.6500 0.012
fragment_869.5500 0.012
fragment_186.0500 0.011
fragment_605.2500 0.010
fragment_643.3500 0.009
fragment_851.0500 0.009
loss_84.1500 0.008
fragment_142.0500 0.007
loss_86.0500 0.007
fragment_422.3500 0.006
fragment_655.3500 0.006
fragment_214.5500 0.006
fragment_213.2500 0.006
fragment_463.1500 0.006
fragment_701.1500 0.005
fragment_255.2500 0.005
fragment_460.1500 0.005
fragment_656.3500 0.005
fragment_99.1500 0.005
fragment_736.3500 0.005
loss_94.6500 0.004
fragment_98.8500 0.004
fragment_886.8500 0.004
fragment_221.9500 0.004
loss_195.3500 0.004
fragment_170.0500 0.004
fragment_257.0500 0.004
fragment_782.3500 0.004
fragment_613.2500 0.004
loss_78.4500 0.004
loss_26.0500 0.004
fragment_994.7500 0.003
loss_112.8500 0.003
fragment_241.2500 0.003
fragment_588.2500 0.003
fragment_277.0500 0.003
fragment_458.3500 0.003
loss_90.0500 0.003
fragment_322.6500 0.003
fragment_252.8500 0.003
loss_71.0500 0.003
fragment_184.8500 0.003
loss_127.3500 0.003
fragment_512.0500 0.003
fragment_719.3500 0.003
fragment_196.2500 0.003
fragment_280.6500 0.002
fragment_388.0500 0.002
fragment_931.3500 0.002
loss_176.1500 0.002
fragment_930.3500 0.002
loss_177.1500 0.002
fragment_644.7500 0.002
loss_82.6500 0.002
fragment_343.2500 0.002
fragment_284.6500 0.002
loss_132.6500 0.002
loss_88.9500 0.002
fragment_638.5500 0.002
fragment_214.1500 0.002
fragment_62.9500 0.002
fragment_80.8500 0.002
fragment_227.2500 0.002
fragment_376.1500 0.002
fragment_507.2500 0.002
fragment_259.1500 0.002
fragment_67.1500 0.001
fragment_463.2500 0.001
fragment_101.0500 0.001
fragment_508.2500 0.001
fragment_557.3500 0.001
fragment_657.3500 0.001
fragment_243.0500 0.001
loss_72.1500 0.001

Counts of Classyfire Substituent terms

Term name Count in motif Percentage in motif Percentage in experiment Absolute difference
Hydrocarbon derivative 27 100 100 0
Organooxygen compound 26 96.3 95.3 1.0
Organic nitrogen compound 11 40.7 55.6 14.9
Organonitrogen compound 11 40.7 54.1 13.4
Carbonyl group 11 40.7 44.0 3.3
Organopnictogen compound 8 29.6 45.2 15.6
Organoheterocyclic compound 7 25.9 13.3 12.6
Oxacycle 6 22.2 7.9 14.3
Aromatic heteropolycyclic compound 6 22.2 9.6 12.6
Azacycle 5 18.5 22.6 4.1
Alcohol 4 14.8 14.7 0.2
Phenol 4 14.8 0.5 14.3
Benzenoid 4 14.8 18.3 3.5
Heteroaromatic compound 4 14.8 5.8 9.1
1-hydroxy-2-unsubstituted benzenoid 3 11.1 1.3 9.8
Secondary alcohol 2 7.4 7.7 0.3
Vinylogous acid 2 7.4 0.1 7.3
1-hydroxy-4-unsubstituted benzenoid 2 7.4 0.2 7.2
Carboxamide group 2 7.4 5.5 1.9
Pyran 1 3.7 0.1 3.6
Primary alcohol 1 3.7 0.9 2.8
Carboxylic acid ester 1 3.7 1.8 1.9

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_5745 900.6130 900.6130 None 0.979 0.084
document_5902 1107.5110 1107.5110 None 0.976 0.207
document_1954 490.3110 490.3110 None 0.691 0.050
document_5674 854.5740 854.5740 None 0.674 0.197
document_4912 727.4600 727.4600 None 0.578 0.320
document_4916 727.4610 727.4610 None 0.507 0.454
document_3639 639.3470 639.3470 None 0.505 0.275
document_4917 727.4610 727.4610 None 0.403 0.287
document_4553 705.4140 705.4140 None 0.400 0.062
document_4893 727.4230 727.4230 None 0.351 0.436
document_4913 727.4600 727.4600 None 0.336 0.215
document_420 417.2340 417.2340 None 0.238 0.032
document_4104 683.3960 683.3960 None 0.220 0.193
document_3024 581.8110 581.8110 None 0.213 0.172
document_4914 727.4600 727.4600 None 0.165 0.231
document_3023 581.8140 581.8140 None 0.161 0.168
document_4915 727.4600 727.4600 None 0.146 0.196
document_4101 683.3950 683.3950 None 0.105 0.174
document_3659 639.4070 639.4070 None 0.101 0.168
document_54 401.2480 401.2480 None 0.079 0.052
document_5708 873.4390 873.4390 None 0.070 0.195
document_1532 461.3340 461.3340 None 0.061 0.168
document_47 401.2470 401.2470 None 0.056 0.052
document_687 424.7620 424.7620 None 0.056 0.147
document_4918 727.4600 727.4600 None 0.055 0.147
document_1564 463.2760 463.2760 None 0.052 0.052
document_94 401.3000 401.3000 None 0.052 0.052

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.