Mass2Motif: motif_77

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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 0.9761235787157034. 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_199.1500 0.195
loss_140.1500 0.123
fragment_259.0500 0.118
fragment_349.2500 0.069
fragment_290.2500 0.051
loss_141.1500 0.049
fragment_182.0500 0.027
fragment_324.2500 0.022
loss_171.1500 0.021
fragment_363.2500 0.018
fragment_164.1500 0.018
fragment_322.2500 0.017
fragment_138.0500 0.016
loss_70.0500 0.015
fragment_380.0500 0.014
loss_170.1500 0.013
fragment_94.0500 0.011
loss_139.1500 0.010
loss_84.0500 0.010
fragment_333.2500 0.009
fragment_150.0500 0.008
fragment_234.1500 0.008
fragment_266.0500 0.008
loss_168.1500 0.007
loss_198.1500 0.006
fragment_100.2500 0.006
fragment_208.1500 0.006
fragment_126.0500 0.005
fragment_606.8500 0.005
fragment_428.4500 0.005
loss_60.8500 0.005
loss_32.4500 0.005
fragment_179.0500 0.005
fragment_231.6500 0.005
loss_181.5500 0.005
fragment_265.1500 0.005
loss_94.0500 0.005
loss_167.2500 0.004
fragment_218.0500 0.004
fragment_348.2500 0.004
fragment_392.1500 0.004
fragment_304.2500 0.004
fragment_545.3500 0.004
fragment_381.0500 0.003
loss_142.1500 0.003
fragment_306.1500 0.003
fragment_169.0500 0.003
fragment_412.1500 0.003
fragment_128.0500 0.003
fragment_323.2500 0.002
fragment_291.1500 0.002
loss_172.1500 0.002
fragment_424.2500 0.001
fragment_206.1500 0.001
fragment_168.1500 0.001

Counts of Classyfire Substituent terms

Term name Count in motif Percentage in motif Percentage in experiment Absolute difference
Hydrocarbon derivative 54 100 100 0
Organooxygen compound 54 100 95.3 4.7
Organic nitrogen compound 30 55.6 55.6 0.1
Organonitrogen compound 30 55.6 54.1 1.4
Organopnictogen compound 28 51.9 45.2 6.6
Azacycle 18 33.3 22.6 10.7
Carbonyl group 18 33.3 44.0 10.7
Aromatic heteropolycyclic compound 11 20.4 9.6 10.7
Benzenoid 11 20.4 18.3 2.0
Heteroaromatic compound 10 18.5 5.8 12.8
Organoheterocyclic compound 7 13.0 13.3 0.4
Alcohol 6 11.1 14.7 3.5
Amine 5 9.3 4.4 4.9
Oxacycle 3 5.6 7.9 2.4
Carboxamide group 2 3.7 5.5 1.8
Secondary alcohol 1 1.9 7.7 5.9

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_3528 633.4470 633.4470 None 0.763 0.061
document_2392 520.1980 520.1980 None 0.744 0.157
document_1942 489.3660 489.3660 None 0.681 0.501
document_1067 433.2920 433.2920 None 0.651 0.309
document_1941 489.3660 489.3660 None 0.644 0.552
document_1943 489.3660 489.3660 None 0.494 0.325
document_1947 489.3670 489.3670 None 0.390 0.479
document_1409 454.4330 454.4330 None 0.359 0.175
document_1945 489.3670 489.3670 None 0.348 0.523
document_309 413.2250 413.2250 None 0.278 0.047
document_3636 639.3630 639.3630 None 0.275 0.140
document_1402 453.1940 453.1940 None 0.226 0.202
document_1979 493.2420 493.2420 None 0.207 0.122
document_4181 689.6100 689.6100 None 0.204 0.185
document_2406 521.3450 521.3450 None 0.198 0.353
document_4290 691.6330 691.6330 None 0.191 0.133
document_3750 647.3560 647.3560 None 0.149 0.118
document_4835 720.6570 720.6570 None 0.149 0.182
document_2731 554.1750 554.1750 None 0.146 0.201
document_1791 478.4360 478.4360 None 0.143 0.223
document_3642 639.3540 639.3540 None 0.142 0.118
document_3158 595.3270 595.3270 None 0.140 0.123
document_1932 489.2580 489.2580 None 0.137 0.119
document_1752 475.3520 475.3520 None 0.135 0.256
document_3409 619.3060 619.3060 None 0.133 0.031
document_663 421.3010 421.3010 None 0.126 0.042
document_1779 477.3210 477.3210 None 0.120 0.069
document_2195 503.2720 503.2720 None 0.115 0.118
document_1248 443.2020 443.2020 None 0.103 0.043
document_2070 498.2660 498.2660 None 0.100 0.195
document_4593 710.5440 710.5440 None 0.090 0.172
document_3176 595.3790 595.3790 None 0.090 0.123
document_3951 673.5100 673.5100 None 0.089 0.125
document_1119 437.1920 437.1920 None 0.087 0.225
document_1946 489.3660 489.3660 None 0.077 0.329
document_786 429.1790 429.1790 None 0.075 0.195
document_1277 443.2710 443.2710 None 0.074 0.197
document_5037 738.5770 738.5770 None 0.074 0.187
document_3803 655.3670 655.3670 None 0.074 0.069
document_1266 443.2370 443.2370 None 0.072 0.073
document_3234 601.3560 601.3560 Desferrioxamine E 0.067 0.201
document_2616 542.3530 542.3530 None 0.065 0.205
document_1494 458.2980 458.2980 None 0.063 0.118
document_4895 727.3940 727.3940 None 0.062 0.118
document_2421 523.2730 523.2730 None 0.060 0.031
document_1310 443.3340 443.3340 None 0.060 0.122
document_2390 519.3780 519.3780 None 0.057 0.227
document_2525 533.1430 533.1430 None 0.054 0.118
document_3774 651.2640 651.2640 None 0.054 0.074
document_1463 457.3040 457.3040 None 0.053 0.123
document_4097 683.4200 683.4200 None 0.052 0.118
document_3239 601.3530 601.3530 Desferrioxamine E 0.051 0.201
document_3769 650.4200 650.4200 None 0.051 0.195
document_1274 443.2480 443.2480 None 0.050 0.195

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.