Mass2Motif: motif_297

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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 0.9562413648804962. 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_243.0500 0.176
loss_165.0500 0.134
fragment_138.0500 0.084
fragment_304.2500 0.073
fragment_204.0500 0.069
loss_182.2500 0.054
fragment_261.0500 0.035
fragment_458.3500 0.026
loss_28.0500 0.025
fragment_168.0500 0.021
loss_184.0500 0.019
loss_164.0500 0.016
fragment_262.0500 0.015
loss_38.9500 0.013
fragment_447.4500 0.013
fragment_296.0500 0.013
fragment_454.0500 0.012
fragment_395.1500 0.009
fragment_126.0500 0.008
fragment_277.4500 0.008
loss_149.5500 0.008
fragment_305.2500 0.008
fragment_455.0500 0.007
fragment_170.9500 0.007
fragment_456.0500 0.007
fragment_304.1500 0.006
fragment_591.1500 0.006
fragment_258.9500 0.005
loss_153.0500 0.004
fragment_273.9500 0.004
fragment_459.3500 0.004
fragment_257.9500 0.004
loss_193.1500 0.004
loss_27.0500 0.004
fragment_276.1500 0.004
fragment_172.0500 0.003
fragment_205.0500 0.003
fragment_144.0500 0.003
fragment_396.1500 0.002
fragment_457.0500 0.002
loss_166.0500 0.002
fragment_325.9500 0.002
fragment_211.0500 0.002
loss_185.1500 0.002
fragment_592.1500 0.002
fragment_260.9500 0.002
fragment_448.4500 0.002
loss_37.9500 0.002
fragment_612.4500 0.002
fragment_297.0500 0.002
fragment_420.4500 0.002
loss_65.9500 0.002
loss_166.1500 0.002
fragment_349.0500 0.001
fragment_689.6500 0.001
fragment_306.2500 0.001
fragment_293.2500 0.001
fragment_138.9500 0.001
loss_67.0500 0.001
loss_159.0500 0.001
fragment_419.3500 0.001
loss_181.0500 0.001
fragment_278.0500 0.001
loss_171.1500 0.001

Counts of Classyfire Substituent terms

Term name Count in motif Percentage in motif Percentage in experiment Absolute difference
Hydrocarbon derivative 58 100 100 0
Organooxygen compound 55 94.8 95.3 0.5
Organic nitrogen compound 39 67.2 55.6 11.6
Organonitrogen compound 37 63.8 54.1 9.7
Organopnictogen compound 32 55.2 45.2 9.9
Azacycle 20 34.5 22.6 11.9
Carbonyl group 17 29.3 44.0 14.7
Benzenoid 9 15.5 18.3 2.8
Alcohol 8 13.8 14.7 0.9
Aromatic heteropolycyclic compound 8 13.8 9.6 4.1
Organoheterocyclic compound 8 13.8 13.3 0.5
Heteroaromatic compound 6 10.3 5.8 4.6
Secondary alcohol 4 6.9 7.7 0.8
Carboxamide group 3 5.2 5.5 0.3
Amine 3 5.2 4.4 0.8
Oxacycle 3 5.2 7.9 2.7
1-hydroxy-2-unsubstituted benzenoid 2 3.4 1.3 2.2
Oxane 1 1.7 1.9 0.2
Pyran 1 1.7 0.1 1.6

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_1894 486.4030 486.4030 None 0.956 0.135
document_4890 727.3080 727.3080 None 0.825 0.058
document_3071 585.5320 585.5320 None 0.819 0.082
document_1895 486.4030 486.4030 None 0.819 0.209
document_1896 486.4030 486.4030 None 0.750 0.162
document_3243 601.4920 601.4920 None 0.748 0.082
document_724 427.0740 427.0740 None 0.712 0.413
document_5891 1078.3900 1078.3900 None 0.705 0.110
document_2717 553.2590 553.2590 None 0.675 0.194
document_1526 461.1600 461.1600 None 0.576 0.238
document_2540 534.1910 534.1910 None 0.506 0.224
document_1175 441.1180 441.1180 None 0.504 0.270
document_2541 534.1900 534.1900 None 0.504 0.230
document_2378 518.2130 518.2130 None 0.436 0.154
document_2695 551.2100 551.2100 None 0.377 0.124
document_2765 557.2440 557.2440 None 0.345 0.178
document_3385 615.4760 615.4760 None 0.309 0.072
document_2642 546.1490 546.1490 None 0.303 0.427
document_2161 499.2660 499.2660 None 0.251 0.150
document_346 414.3930 414.3930 None 0.236 0.295
document_3163 595.3480 595.3480 None 0.235 0.179
document_2361 516.1880 516.1880 None 0.227 0.152
document_729 427.1850 427.1850 None 0.218 0.213
document_5835 969.6150 969.6150 None 0.210 0.077
document_354 415.0580 415.0580 None 0.198 0.310
document_3446 624.2170 624.2170 None 0.197 0.084
document_721 427.0740 427.0740 None 0.193 0.389
document_1475 457.3230 457.3230 None 0.171 0.057
document_415 418.0490 418.0490 None 0.159 0.176
document_730 427.0740 427.0740 None 0.146 0.195
document_1517 461.5380 461.5380 None 0.145 0.084
document_4480 703.3290 703.3290 None 0.144 0.176
document_725 427.0740 427.0740 None 0.134 0.383
document_386 415.1240 415.1240 None 0.130 0.176
document_1476 457.3290 457.3290 None 0.127 0.054
document_3622 638.4570 638.4570 None 0.125 0.085
document_3690 641.3280 641.3280 None 0.121 0.176
document_1671 469.2790 469.2790 None 0.114 0.207
document_731 427.0740 427.0740 None 0.114 0.240
document_536 421.1950 421.1950 None 0.104 0.199
document_2160 499.2550 499.2550 None 0.099 0.035
document_3132 591.2460 591.2460 None 0.097 0.154
document_73 401.2700 401.2700 None 0.091 0.054
document_355 413.7470 413.7470 None 0.090 0.176
document_1926 489.7330 489.7330 None 0.090 0.176
document_2370 517.1180 517.1180 None 0.089 0.053
document_4098 683.4160 683.4160 None 0.084 0.177
document_143 404.2270 404.2270 None 0.081 0.203
document_3480 628.2990 628.2990 None 0.079 0.150
document_1297 443.3310 443.3310 None 0.079 0.176
document_726 427.0740 427.0740 None 0.077 0.389
document_1946 489.3660 489.3660 None 0.076 0.079
document_166 406.1680 406.1680 None 0.076 0.073
document_1756 476.1880 476.1880 None 0.057 0.084
document_3645 639.3570 639.3570 None 0.055 0.175
document_2493 529.2930 529.2930 None 0.053 0.176
document_2457 526.4570 526.4570 None 0.051 0.032
document_1401 453.1930 453.1930 None 0.051 0.105

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.