Mass2Motif: motif_208

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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: Tryptophan related Mass2Motif

Short Annotation: Tryptophan related Mass2Motif

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 0.9223618151911349. 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_188.0500 0.280
fragment_231.0500 0.251
fragment_205.0500 0.048
fragment_267.0500 0.044
loss_115.0500 0.031
fragment_146.0500 0.015
fragment_466.1500 0.014
fragment_856.4500 0.014
fragment_232.0500 0.012
fragment_332.1500 0.012
fragment_449.2500 0.009
fragment_998.5500 0.007
fragment_206.0500 0.007
fragment_232.1500 0.007
fragment_321.0500 0.007
fragment_293.5500 0.006
loss_119.7500 0.006
fragment_857.4500 0.006
loss_163.1500 0.006
fragment_885.4500 0.006
fragment_448.1500 0.006
fragment_404.1500 0.005
fragment_347.1500 0.005
fragment_86.0500 0.005
fragment_166.9500 0.004
fragment_828.4500 0.004
fragment_886.4500 0.004
fragment_363.0500 0.003
loss_80.0500 0.003
fragment_755.3500 0.003
fragment_159.0500 0.003
fragment_970.5500 0.003
fragment_292.0500 0.003
loss_158.0500 0.003
loss_158.5500 0.003
fragment_70.0500 0.003
fragment_443.7500 0.003
fragment_999.5500 0.003
loss_151.1500 0.003
fragment_339.1500 0.002
fragment_118.0500 0.002
loss_80.1500 0.002
fragment_632.3500 0.002
loss_148.0500 0.002
fragment_422.1500 0.002
loss_71.5500 0.002
fragment_389.1500 0.002
fragment_757.4500 0.002
loss_106.1500 0.002
loss_95.0500 0.002
fragment_361.1500 0.002
loss_63.2500 0.002
fragment_240.5500 0.002
fragment_500.9500 0.002
fragment_457.2500 0.002
fragment_971.5500 0.002
fragment_262.0500 0.002
fragment_492.7500 0.001
loss_143.0500 0.001
fragment_532.3500 0.001
fragment_701.0500 0.001
loss_107.0500 0.001
fragment_220.0500 0.001
loss_131.6500 0.001
fragment_306.0500 0.001
fragment_394.1500 0.001
fragment_67.2500 0.001
fragment_499.7500 0.001
loss_101.9500 0.001
fragment_592.6500 0.001
loss_17.0500 0.001
loss_178.0500 0.001
fragment_451.1500 0.001
fragment_631.0500 0.001
fragment_287.1500 0.001
fragment_600.2500 0.001
loss_175.0500 0.001
fragment_507.2500 0.001
loss_69.4500 0.001
fragment_253.6500 0.001
loss_155.2500 0.001

Counts of Classyfire Substituent terms

Term name Count in motif Percentage in motif Percentage in experiment Absolute difference
Hydrocarbon derivative 61 100 100 0
Organooxygen compound 58 95.1 95.3 0.2
Organic nitrogen compound 49 80.3 55.6 24.7
Organonitrogen compound 45 73.8 54.1 19.7
Organopnictogen compound 44 72.1 45.2 26.9
Carbonyl group 35 57.4 44.0 13.3
Azacycle 28 45.9 22.6 23.3
Benzenoid 13 21.3 18.3 3.0
Organoheterocyclic compound 10 16.4 13.3 3.1
Aromatic heteropolycyclic compound 7 11.5 9.6 1.8
Carboxamide group 6 9.8 5.5 4.4
Alcohol 5 8.2 14.7 6.5
Heteroaromatic compound 4 6.6 5.8 0.8
Oxacycle 4 6.6 7.9 1.4
Secondary alcohol 3 4.9 7.7 2.8
Carboxylic acid ester 3 4.9 1.8 3.1
Amine 3 4.9 4.4 0.6
Primary alcohol 1 1.6 0.9 0.8
O-glycosyl compound 1 1.6 1.2 0.4
Acetal 1 1.6 1.5 0.2

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_215 409.1860 409.1860 None 0.879 0.364
document_1202 441.2220 441.2220 None 0.833 0.356
document_5837 971.4810 971.4810 None 0.817 0.062
document_2660 547.2130 547.2130 None 0.801 0.365
document_1389 452.1850 452.1850 None 0.779 0.359
document_3238 601.7840 601.7840 None 0.717 0.383
document_1846 484.1610 484.1610 None 0.551 0.058
document_2777 558.3120 558.3120 None 0.523 0.327
document_34 401.2010 401.2010 None 0.512 0.346
document_2758 556.3330 556.3330 None 0.462 0.255
document_2826 564.2680 564.2680 None 0.403 0.319
document_2716 553.2530 553.2530 None 0.392 0.273
document_2755 556.3320 556.3320 None 0.384 0.266
document_673 423.2020 423.2020 Sevadicin 0.354 0.339
document_1642 468.1820 468.1820 None 0.353 0.353
document_202 408.9060 408.9060 None 0.320 0.290
document_399 416.8040 416.8040 None 0.320 0.292
document_1611 466.2210 466.2210 None 0.296 0.345
document_3360 613.3540 613.3540 None 0.286 0.266
document_2930 570.9650 570.9650 None 0.285 0.268
document_365 413.2700 413.2700 None 0.259 0.266
document_1273 443.2490 443.2490 None 0.251 0.055
document_1276 445.9460 445.9460 None 0.229 0.339
document_328 413.2540 413.2540 None 0.186 0.254
document_3357 613.3510 613.3510 None 0.158 0.269
document_1798 480.2340 480.2340 None 0.145 0.345
document_4079 680.9280 680.9280 None 0.142 0.280
document_3361 613.3540 613.3540 None 0.136 0.260
document_357 413.2800 413.2800 None 0.136 0.251
document_1401 453.1930 453.1930 None 0.128 0.080
document_370 413.2800 413.2800 None 0.127 0.251
document_4381 700.3900 700.3900 None 0.121 0.255
document_367 413.2700 413.2700 None 0.118 0.251
document_826 429.2460 429.2460 None 0.112 0.281
document_1235 441.3520 441.3520 None 0.107 0.251
document_98 403.1120 403.1120 None 0.105 0.334
document_2480 528.3220 528.3220 None 0.103 0.264
document_2649 546.2920 546.2920 None 0.103 0.306
document_674 423.2030 423.2030 None 0.096 0.299
document_372 413.2950 413.2950 None 0.094 0.263
document_1225 441.3060 441.3060 None 0.091 0.048
document_1971 492.2470 492.2470 None 0.090 0.345
document_24 401.1330 401.1330 None 0.090 0.306
document_366 413.2850 413.2850 None 0.089 0.251
document_4378 700.3850 700.3850 None 0.088 0.273
document_1115 436.1160 436.1160 None 0.084 0.292
document_359 413.2860 413.2860 None 0.078 0.251
document_1783 478.1370 478.1370 None 0.075 0.299
document_1218 441.2970 441.2970 None 0.075 0.044
document_329 413.2780 413.2780 None 0.074 0.251
document_1165 439.2890 439.2890 None 0.072 0.282
document_2195 503.2720 503.2720 None 0.072 0.258
document_2901 567.2590 567.2590 None 0.066 0.341
document_788 429.1790 429.1790 None 0.065 0.280
document_671 423.1190 423.1190 None 0.064 0.343
document_2673 549.1720 549.1720 None 0.060 0.251
document_358 413.2810 413.2810 None 0.058 0.251
document_3776 651.4690 651.4690 None 0.053 0.288
document_5243 749.3460 749.3460 None 0.053 0.283
document_5412 771.4240 771.4240 None 0.052 0.262
document_67 401.2480 401.2480 None 0.051 0.283

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.