Mass2Motif: motif_28

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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 0.9658275058955598. 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_209.1500 0.314
fragment_195.1500 0.178
fragment_205.1500 0.126
fragment_357.1500 0.025
fragment_331.1500 0.024
fragment_262.1500 0.023
fragment_377.2500 0.021
loss_161.1500 0.019
fragment_135.0500 0.019
loss_82.1500 0.018
loss_56.1500 0.017
loss_132.1500 0.012
fragment_252.0500 0.011
fragment_72.0500 0.009
fragment_292.1500 0.007
loss_180.5500 0.007
fragment_466.7500 0.007
loss_190.2500 0.007
fragment_307.1500 0.006
fragment_182.1500 0.006
loss_124.0500 0.006
fragment_752.2500 0.005
loss_157.7500 0.005
fragment_378.2500 0.005
fragment_374.2500 0.005
fragment_223.5500 0.005
loss_189.6500 0.005
loss_18.5500 0.005
fragment_147.9500 0.005
fragment_318.0500 0.005
fragment_309.1500 0.004
loss_83.2500 0.004
fragment_401.1500 0.004
loss_167.3500 0.004
loss_127.7500 0.004
loss_123.0500 0.004
loss_180.2500 0.003
fragment_715.4500 0.003
loss_55.3500 0.003
loss_116.2500 0.003
loss_60.2500 0.003
fragment_53.0500 0.003
fragment_206.1500 0.003
fragment_294.1500 0.002
loss_126.7500 0.002
fragment_335.2500 0.002
fragment_344.2500 0.002
loss_198.8500 0.002
loss_163.1500 0.002
fragment_132.1500 0.002
fragment_407.2500 0.001

Counts of Classyfire Substituent terms

Term name Count in motif Percentage in motif Percentage in experiment Absolute difference
Hydrocarbon derivative 40 100 100 0
Organooxygen compound 37 92.5 95.3 2.8
Carbonyl group 14 35 44.0 9.0
Organic nitrogen compound 12 30 55.6 25.6
Organopnictogen compound 12 30 45.2 15.2
Organonitrogen compound 12 30 54.1 24.1
Benzenoid 10 25 18.3 6.7
Azacycle 8 20 22.6 2.6
Aromatic heteropolycyclic compound 6 15 9.6 5.4
Alcohol 4 10 14.7 4.7
Oxacycle 4 10 7.9 2.1
Organoheterocyclic compound 3 7.5 13.3 5.8
Heteroaromatic compound 2 5 5.8 0.8
Secondary alcohol 2 5 7.7 2.7
Carboxylic acid ester 1 2.5 1.8 0.7
Oxane 1 2.5 1.9 0.6
1-benzopyran 1 2.5 0.1 2.4
Carboxamide group 1 2.5 5.5 3.0

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_345 413.2570 413.2570 None 0.574 0.142
document_4150 686.3930 686.3930 None 0.452 0.353
document_460 419.8910 419.8910 None 0.380 0.235
document_2055 497.3490 497.3490 None 0.371 0.158
document_3750 647.3560 647.3560 None 0.327 0.220
document_5511 799.4760 799.4760 None 0.199 0.351
document_5382 770.8470 770.8470 None 0.170 0.039
document_1729 473.3440 473.3440 None 0.168 0.313
document_80 401.2740 401.2740 None 0.166 0.162
document_1539 462.2170 462.2170 None 0.139 0.322
document_2933 570.3630 570.3630 None 0.135 0.354
document_2183 501.3530 501.3530 None 0.132 0.326
document_2714 552.2860 552.2860 None 0.126 0.053
document_2316 511.8330 511.8330 None 0.122 0.186
document_2052 497.6180 497.6180 None 0.121 0.140
document_4855 722.5020 722.5020 None 0.117 0.178
document_1480 458.1980 458.1980 None 0.114 0.323
document_1698 472.2640 472.2640 None 0.098 0.201
document_994 430.9130 430.9130 None 0.092 0.312
document_1726 473.3430 473.3430 None 0.090 0.314
document_2175 500.3600 500.3600 None 0.089 0.179
document_3428 620.4350 620.4350 None 0.084 0.314
document_412 416.3510 416.3510 None 0.078 0.314
document_1470 457.3230 457.3230 None 0.078 0.384
document_2665 548.3240 548.3240 None 0.077 0.145
document_5550 813.4570 813.4570 None 0.077 0.304
document_1742 475.2870 475.2870 None 0.076 0.202
document_1513 459.3290 459.3290 None 0.076 0.316
document_480 419.2760 419.2760 None 0.072 0.177
document_1569 463.2770 463.2770 None 0.071 0.440
document_1718 473.2320 473.2320 None 0.071 0.129
document_5828 959.5190 959.5190 None 0.063 0.178
document_2240 506.5860 506.5860 None 0.062 0.129
document_184 407.2230 407.2230 None 0.060 0.314
document_4649 713.4900 713.4900 None 0.059 0.129
document_1521 460.2750 460.2750 None 0.056 0.177
document_2061 497.3800 497.3800 None 0.054 0.314
document_2445 526.1110 526.1110 None 0.054 0.304
document_2950 572.2930 572.2930 None 0.051 0.324
document_2182 501.3540 501.3540 None 0.051 0.319

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.