Mass2Motif: motif_277

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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 0.9465745222444115. 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_199.1500 0.375
loss_198.1500 0.225
loss_120.0500 0.153
fragment_330.2500 0.050
loss_197.1500 0.016
fragment_227.1500 0.014
fragment_274.0500 0.014
fragment_200.1500 0.013
fragment_331.2500 0.013
loss_189.2500 0.010
fragment_346.2500 0.007
fragment_312.2500 0.005
loss_193.8500 0.005
loss_33.0500 0.004
fragment_427.2500 0.004
fragment_198.1500 0.003
fragment_280.1500 0.002
fragment_261.4500 0.002
loss_188.7500 0.002
fragment_276.0500 0.002
fragment_212.0500 0.002
fragment_296.1500 0.002
fragment_352.1500 0.002
fragment_323.2500 0.002
fragment_396.2500 0.002
fragment_303.1500 0.001
fragment_222.1500 0.001
fragment_288.2500 0.001
loss_187.8500 0.001
loss_118.1500 0.001
fragment_86.0500 0.001
loss_147.1500 0.001
fragment_405.7500 0.001
fragment_224.7500 0.001
fragment_179.1500 0.001
fragment_241.1500 0.001
loss_154.2500 0.001
loss_78.2500 0.001
loss_149.2500 0.001
fragment_475.2500 0.001
loss_162.0500 0.001

Counts of Classyfire Substituent terms

Term name Count in motif Percentage in motif Percentage in experiment Absolute difference
Hydrocarbon derivative 98 100 100 0
Organooxygen compound 96 98.0 95.3 2.6
Organonitrogen compound 74 75.5 54.1 21.4
Organic nitrogen compound 73 74.5 55.6 18.9
Organopnictogen compound 62 63.3 45.2 18.0
Carbonyl group 51 52.0 44.0 8.0
Azacycle 47 48.0 22.6 25.3
Benzenoid 17 17.3 18.3 1.0
Organoheterocyclic compound 15 15.3 13.3 2.0
Carboxamide group 13 13.3 5.5 7.8
Amine 12 12.2 4.4 7.9
Aromatic heteropolycyclic compound 11 11.2 9.6 1.6
Alcohol 11 11.2 14.7 3.4
Oxacycle 8 8.2 7.9 0.3
Heteroaromatic compound 7 7.1 5.8 1.4
Secondary alcohol 5 5.1 7.7 2.6
Oxane 2 2.0 1.9 0.1
O-glycosyl compound 2 2.0 1.2 0.8
Polyol 2 2.0 1.6 0.5
Acetal 2 2.0 1.5 0.6
Glycosyl compound 2 2.0 0.7 1.3
Carboxylic acid ester 2 2.0 1.8 0.2
Primary alcohol 1 1.0 0.9 0.2
Aliphatic acyclic compound 1 1.0 2.9 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_1368 450.2550 450.2550 None 0.725 0.238
document_1367 450.2550 450.2550 None 0.681 0.232
document_1370 450.2540 450.2540 None 0.661 0.234
document_1371 450.2550 450.2550 None 0.633 0.234
document_2436 525.1900 525.1900 None 0.535 0.016
document_412 416.3510 416.3510 None 0.504 0.405
document_1369 450.2550 450.2550 None 0.457 0.222
document_3139 592.3330 592.3330 None 0.425 0.609
document_2465 527.2960 527.2960 None 0.406 0.610
document_1984 493.3000 493.3000 None 0.405 0.638
document_2363 516.3100 516.3100 None 0.405 0.623
document_1694 472.0820 472.0820 None 0.357 0.388
document_247 412.9700 412.9700 None 0.339 0.396
document_3003 578.3180 578.3180 None 0.329 0.618
document_1777 477.3050 477.3050 None 0.318 0.623
document_2970 575.3020 575.3020 None 0.288 0.390
document_1850 484.2370 484.2370 None 0.274 0.157
document_1687 471.2790 471.2790 None 0.243 0.391
document_838 429.2990 429.2990 None 0.232 0.606
document_1676 471.4490 471.4490 None 0.230 0.398
document_2376 517.3320 517.3320 None 0.228 0.605
document_1816 481.2600 481.2600 None 0.226 0.240
document_2222 505.3370 505.3370 None 0.223 0.405
document_5711 874.3330 874.3330 None 0.216 0.154
document_1889 487.3030 487.3030 None 0.210 0.402
document_1148 437.2410 437.2410 None 0.210 0.242
document_1147 437.2410 437.2410 None 0.194 0.240
document_1741 475.2560 475.2560 None 0.192 0.225
document_2198 503.3220 503.3220 None 0.185 0.619
document_1511 459.3200 459.3200 None 0.181 0.385
document_30 401.2660 401.2660 None 0.177 0.403
document_144 404.2380 404.2380 None 0.177 0.239
document_158 405.2440 405.2440 None 0.172 0.225
document_2773 557.3570 557.3570 None 0.171 0.601
document_1722 473.2840 473.2840 None 0.167 0.391
document_28 401.2950 401.2950 None 0.162 0.403
document_2777 558.3120 558.3120 None 0.161 0.389
document_1129 437.2340 437.2340 None 0.152 0.225
document_694 425.1930 425.1930 None 0.151 0.169
document_830 429.3330 429.3330 None 0.151 0.385
document_2617 542.3930 542.3930 None 0.137 0.402
document_2330 513.6110 513.6110 None 0.136 0.382
document_1609 465.8200 465.8200 None 0.131 0.403
document_2931 570.3490 570.3490 None 0.131 0.388
document_3507 631.3630 631.3630 None 0.127 0.226
document_31 401.2640 401.2640 None 0.115 0.558
document_29 401.1930 401.1930 None 0.113 0.155
document_1853 484.3120 484.3120 None 0.111 0.600
document_1247 443.2020 443.2020 None 0.110 0.157
document_1443 458.6670 458.6670 None 0.109 0.372
document_693 425.1940 425.1940 None 0.108 0.156
document_5755 903.5670 903.5670 None 0.106 0.600
document_1216 441.3030 441.3030 None 0.103 0.375
document_1798 480.2340 480.2340 None 0.102 0.157
document_695 425.1940 425.1940 None 0.102 0.154
document_160 405.2790 405.2790 None 0.099 0.220
document_1897 487.2120 487.2120 None 0.096 0.153
document_66 401.2470 401.2470 None 0.094 0.527
document_423 417.2750 417.2750 None 0.094 0.153
document_2451 526.8940 526.8940 None 0.091 0.384
document_2731 554.1750 554.1750 None 0.090 0.239
document_1508 459.2800 459.2800 None 0.090 0.377
document_3284 607.3410 607.3410 None 0.087 0.223
document_1594 463.3020 463.3020 None 0.083 0.242
document_333 413.2440 413.2440 None 0.082 0.377
document_2174 500.3450 500.3450 None 0.081 0.386
document_1843 483.2110 483.2110 None 0.080 0.226
document_79 401.2730 401.2730 None 0.078 0.391
document_512 420.1640 420.1640 None 0.078 0.225
document_1433 455.3240 455.3240 None 0.077 0.390
document_2219 505.2680 505.2680 None 0.077 0.373
document_738 427.2040 427.2040 None 0.075 0.225
document_1480 458.1980 458.1980 None 0.075 0.376
document_1908 489.7050 489.7050 None 0.075 0.390
document_1248 443.2020 443.2020 None 0.073 0.155
document_311 413.2160 413.2160 None 0.072 0.391
document_429 419.2110 419.2110 None 0.070 0.225
document_1664 469.1830 469.1830 None 0.068 0.224
document_739 427.2070 427.2070 None 0.068 0.156
document_713 426.2220 426.2220 None 0.066 0.015
document_3496 629.4260 629.4260 None 0.066 0.393
document_490 419.2760 419.2760 None 0.065 0.224
document_1758 476.5910 476.5910 None 0.064 0.383
document_2774 557.3280 557.3280 None 0.064 0.386
document_4756 717.8870 717.8870 None 0.064 0.155
document_1933 489.3060 489.3060 None 0.063 0.375
document_184 407.2230 407.2230 None 0.062 0.222
document_1561 463.2760 463.2760 None 0.062 0.225
document_1945 489.3670 489.3670 None 0.062 0.225
document_1907 487.8990 487.8990 None 0.059 0.375
document_1991 494.2350 494.2350 None 0.058 0.379
document_3869 664.3700 664.3700 None 0.055 0.378
document_819 429.2430 429.2430 None 0.054 0.374
document_441 419.2150 419.2150 None 0.054 0.226
document_2266 507.3000 507.3000 None 0.054 0.154
document_1253 443.2280 443.2280 None 0.052 0.156
document_5776 921.5770 921.5770 None 0.052 0.389
document_1904 487.2900 487.2900 None 0.051 0.392

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.