Mass2Motif: motif_227

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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 0.9540743837696708. 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_162.0500 0.352
fragment_421.3500 0.118
loss_156.0500 0.036
fragment_422.3500 0.031
fragment_134.0500 0.028
fragment_754.2500 0.021
loss_89.5500 0.019
fragment_440.1500 0.015
fragment_252.0500 0.014
loss_72.0500 0.014
fragment_457.6500 0.014
loss_36.0500 0.013
fragment_493.6500 0.013
fragment_755.2500 0.013
fragment_373.6500 0.010
fragment_329.3500 0.010
loss_73.5500 0.009
fragment_456.1500 0.009
fragment_122.0500 0.009
fragment_123.1500 0.008
fragment_164.9500 0.008
fragment_982.6500 0.008
loss_148.5500 0.007
loss_87.5500 0.006
fragment_442.1500 0.006
fragment_315.6500 0.005
fragment_263.1500 0.005
fragment_712.2500 0.005
loss_95.5500 0.005
fragment_434.1500 0.005
fragment_210.0500 0.005
loss_157.0500 0.005
loss_125.9500 0.005
fragment_372.6500 0.005
fragment_373.1500 0.004
loss_156.5500 0.004
fragment_325.1500 0.004
fragment_507.7500 0.004
loss_22.0500 0.004
loss_197.0500 0.004
fragment_214.9500 0.004
fragment_178.9500 0.004
loss_165.1500 0.004
fragment_250.9500 0.004
fragment_212.0500 0.003
loss_194.9500 0.003
fragment_85.0500 0.003
fragment_135.1500 0.003
fragment_732.8500 0.003
fragment_795.5500 0.003
fragment_212.1500 0.003
fragment_107.0500 0.003
fragment_161.1500 0.003
fragment_332.1500 0.003
fragment_962.0500 0.003
fragment_309.6500 0.003
fragment_783.3500 0.002
fragment_208.3500 0.002
fragment_81.9500 0.002
fragment_726.2500 0.002
fragment_273.5500 0.002
fragment_220.2500 0.002
fragment_165.9500 0.002
fragment_533.3500 0.002
fragment_736.2500 0.002
loss_161.0500 0.002
fragment_347.3500 0.002
fragment_294.0500 0.002
loss_148.0500 0.002
fragment_625.1500 0.002
fragment_232.5500 0.002
fragment_184.8500 0.002
fragment_713.2500 0.001
fragment_289.9500 0.001
fragment_282.4500 0.001
fragment_396.0500 0.001
fragment_330.3500 0.001
loss_173.5500 0.001
fragment_251.6500 0.001

Counts of Classyfire Substituent terms

Term name Count in motif Percentage in motif Percentage in experiment Absolute difference
Hydrocarbon derivative 31 100 100 0
Organooxygen compound 31 100 95.3 4.7
Organonitrogen compound 25 80.6 54.1 26.5
Organic nitrogen compound 24 77.4 55.6 21.8
Organopnictogen compound 21 67.7 45.2 22.5
Azacycle 12 38.7 22.6 16.1
Carbonyl group 11 35.5 44.0 8.5
Organoheterocyclic compound 4 12.9 13.3 0.4
Oxacycle 4 12.9 7.9 5.0
Amine 3 9.7 4.4 5.3
Benzenoid 3 9.7 18.3 8.7
Alcohol 2 6.5 14.7 8.2
Heteroaromatic compound 2 6.5 5.8 0.7
Primary alcohol 1 3.2 0.9 2.4
Oxane 1 3.2 1.9 1.3
Secondary alcohol 1 3.2 7.7 4.5
O-glycosyl compound 1 3.2 1.2 2.0
Polyol 1 3.2 1.6 1.6
Acetal 1 3.2 1.5 1.8
Glycosyl compound 1 3.2 0.7 2.5
1-hydroxy-4-unsubstituted benzenoid 1 3.2 0.2 3.0
Aromatic heteropolycyclic compound 1 3.2 9.6 6.4
Carboxamide group 1 3.2 5.5 2.3
Aliphatic acyclic compound 1 3.2 2.9 0.3

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_2497 529.7240 529.7240 None 0.931 0.272
document_4583 708.5360 708.5360 None 0.690 0.352
document_1378 451.1210 451.1210 None 0.567 0.392
document_5711 874.3330 874.3330 None 0.566 0.057
document_2983 576.4000 576.4000 None 0.549 0.163
document_696 425.1920 425.1920 None 0.541 0.396
document_1936 489.3170 489.3170 None 0.490 0.190
document_1937 489.3200 489.3200 None 0.459 0.159
document_2984 576.4010 576.4010 None 0.444 0.169
document_1377 451.1210 451.1210 None 0.432 0.384
document_1376 451.1200 451.1200 None 0.394 0.372
document_1238 442.1520 442.1520 None 0.392 0.362
document_3500 630.3070 630.3070 None 0.366 0.391
document_1379 451.1210 451.1210 None 0.306 0.378
document_5793 941.5070 941.5070 None 0.300 0.135
document_695 425.1940 425.1940 None 0.211 0.359
document_5263 753.8250 753.8250 None 0.192 0.371
document_246 413.1440 413.1440 None 0.188 0.352
document_2495 529.4080 529.4080 None 0.169 0.149
document_3970 676.2030 676.2030 None 0.162 0.352
document_3192 595.3840 595.3840 None 0.147 0.118
document_693 425.1940 425.1940 None 0.121 0.358
document_258 413.1790 413.1790 None 0.115 0.352
document_1200 441.2230 441.2230 None 0.097 0.355
document_3613 638.2600 638.2600 None 0.096 0.357
document_1384 451.2160 451.2160 None 0.090 0.361
document_4533 704.8330 704.8330 None 0.087 0.399
document_1752 475.3520 475.3520 None 0.075 0.361
document_932 430.9110 430.9110 None 0.073 0.352
document_3016 580.7690 580.7690 None 0.067 0.352
document_566 421.2420 421.2420 None 0.062 0.035

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.