Mass2Motif: motif_219

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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 0.9479998313581064. 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_36.0500 0.223
loss_35.0500 0.137
loss_137.8500 0.064
fragment_338.0500 0.061
fragment_339.9500 0.027
loss_53.0500 0.024
fragment_153.1500 0.018
loss_136.3500 0.018
fragment_467.1500 0.017
fragment_339.0500 0.016
fragment_732.4500 0.016
fragment_491.2500 0.016
loss_116.0500 0.014
loss_109.0500 0.013
fragment_418.2500 0.013
fragment_139.1500 0.011
loss_127.0500 0.011
fragment_187.8500 0.010
loss_34.0500 0.010
fragment_319.9500 0.009
fragment_448.2500 0.009
fragment_332.1500 0.009
fragment_400.1500 0.009
fragment_98.9500 0.008
fragment_474.2500 0.008
fragment_528.2500 0.008
fragment_237.0500 0.008
loss_151.0500 0.007
fragment_203.0500 0.007
fragment_338.9500 0.007
loss_134.3500 0.006
fragment_97.1500 0.006
fragment_321.9500 0.006
fragment_342.2500 0.006
loss_97.0500 0.005
fragment_393.0500 0.005
fragment_629.4500 0.005
fragment_349.1500 0.005
loss_80.0500 0.005
fragment_468.1500 0.004
fragment_350.1500 0.004
fragment_230.8500 0.004
loss_135.3500 0.004
loss_54.2500 0.004
fragment_629.0500 0.004
loss_177.0500 0.004
fragment_238.0500 0.004
loss_157.0500 0.004
fragment_76.0500 0.004
loss_81.0500 0.004
fragment_449.2500 0.003
fragment_289.0500 0.003
fragment_204.0500 0.003
fragment_419.1500 0.003
fragment_264.8500 0.003
fragment_529.2500 0.003
fragment_141.0500 0.002
fragment_497.6500 0.002
loss_137.0500 0.002
fragment_266.1500 0.002
loss_88.1500 0.002
loss_133.2500 0.002
fragment_546.2500 0.002
fragment_392.2500 0.002
fragment_480.4500 0.002
loss_135.0500 0.002
fragment_197.0500 0.001
fragment_295.0500 0.001
fragment_177.1500 0.001
fragment_390.2500 0.001
fragment_233.0500 0.001
fragment_280.0500 0.001
fragment_291.0500 0.001
fragment_209.1500 0.001
fragment_117.0500 0.001
loss_98.0500 0.001
loss_180.0500 0.001

Counts of Classyfire Substituent terms

Term name Count in motif Percentage in motif Percentage in experiment Absolute difference
Hydrocarbon derivative 45 100 100 0
Organooxygen compound 44 97.8 95.3 2.4
Organic nitrogen compound 31 68.9 55.6 13.3
Organonitrogen compound 28 62.2 54.1 8.1
Carbonyl group 23 51.1 44.0 7.1
Organopnictogen compound 22 48.9 45.2 3.6
Benzenoid 14 31.1 18.3 12.8
Alcohol 14 31.1 14.7 16.5
Azacycle 10 22.2 22.6 0.4
Organoheterocyclic compound 10 22.2 13.3 8.9
Oxacycle 9 20 7.9 12.1
Secondary alcohol 8 17.8 7.7 10.1
Aromatic heteropolycyclic compound 7 15.6 9.6 5.9
Carboxylic acid ester 2 4.4 1.8 2.6
Carboxamide group 2 4.4 5.5 1.0
Heteroaromatic compound 1 2.2 5.8 3.5
Oxane 1 2.2 1.9 0.3
Polyol 1 2.2 1.6 0.6
Acetal 1 2.2 1.5 0.8
Amine 1 2.2 4.4 2.1
Primary alcohol 1 2.2 0.9 1.4
Aliphatic acyclic compound 1 2.2 2.9 0.7

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_2464 527.2710 527.2710 None 0.869 0.347
document_3335 613.0740 613.0740 None 0.858 0.183
document_5789 933.3470 933.3470 None 0.757 0.101
document_3336 613.7280 613.7280 None 0.745 0.114
document_1125 437.2230 437.2230 None 0.602 0.088
document_1327 446.1440 446.1440 None 0.519 0.202
document_1720 473.5040 473.5040 None 0.473 0.030
document_4113 683.3560 683.3560 None 0.432 0.036
document_2828 564.2950 564.2950 None 0.413 0.430
document_387 415.1370 415.1370 None 0.324 0.091
document_4897 727.3760 727.3760 None 0.266 0.064
document_5512 800.4430 800.4430 None 0.248 0.016
document_4538 705.3980 705.3980 None 0.239 0.067
document_1372 450.3200 450.3200 HMDB:HMDB00631-862 Deoxycholic acid glycine conjugate 0.238 0.251
document_2812 562.4820 562.4820 None 0.210 0.143
document_5410 771.3700 771.3700 None 0.208 0.395
document_2953 572.5300 572.5300 None 0.199 0.147
document_3308 609.3400 609.3400 None 0.153 0.137
document_4352 695.3530 695.3530 None 0.129 0.223
document_2044 497.3010 497.3010 Alteramide B 0.115 0.401
document_2343 513.2970 513.2970 None 0.112 0.392
document_2308 511.2780 511.2780 None 0.107 0.368
document_5772 916.2990 916.2990 None 0.105 0.362
document_3786 652.2760 652.2760 None 0.100 0.385
document_167 407.9600 407.9600 None 0.097 0.068
document_3096 588.4960 588.4960 None 0.093 0.228
document_4490 703.3830 703.3830 None 0.092 0.064
document_1846 484.1610 484.1610 None 0.092 0.251
document_3807 656.3100 656.3100 Rifamycin W 0.089 0.387
document_3535 634.2640 634.2640 None 0.076 0.232
document_3536 634.2650 634.2650 None 0.076 0.390
document_1368 450.2550 450.2550 None 0.075 0.375
document_1329 446.1600 446.1600 None 0.074 0.235
document_5734 892.2980 892.2980 None 0.074 0.401
document_5879 1047.3991 1047.3991 None 0.073 0.361
document_2686 550.2990 550.2990 None 0.072 0.360
document_5177 743.3760 743.3760 None 0.067 0.064
document_3895 667.2590 667.2590 None 0.064 0.367
document_3774 651.2640 651.2640 None 0.061 0.396
document_74 401.2530 401.2530 None 0.058 0.368
document_1537 462.1380 462.1380 None 0.057 0.148
document_2398 520.3320 520.3320 None 0.057 0.362
document_1768 476.3050 476.3050 None 0.056 0.048
document_694 425.1930 425.1930 None 0.055 0.232
document_3269 604.3790 604.3790 None 0.051 0.172

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.