Mass2Motif: motif_243

Return to experiment crusemann

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 0.9472500151984171. 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_323.1500 0.197
fragment_341.2500 0.116
loss_197.1500 0.071
fragment_266.0500 0.046
fragment_106.0500 0.034
fragment_295.2500 0.027
fragment_270.1500 0.027
fragment_423.2500 0.023
fragment_123.0500 0.022
fragment_305.1500 0.020
fragment_523.3500 0.020
loss_48.5500 0.015
fragment_153.0500 0.014
fragment_396.2500 0.014
fragment_488.7500 0.013
fragment_578.2500 0.013
fragment_241.1500 0.012
fragment_223.1500 0.010
loss_192.7500 0.010
fragment_429.1500 0.010
fragment_173.1500 0.008
fragment_183.0500 0.008
fragment_976.4500 0.008
loss_19.0500 0.008
fragment_601.3500 0.008
fragment_397.2500 0.007
loss_97.0500 0.007
fragment_639.2500 0.007
fragment_346.3500 0.007
fragment_288.1500 0.006
fragment_579.3500 0.006
loss_108.0500 0.006
loss_177.0500 0.006
fragment_879.3500 0.006
fragment_224.0500 0.006
fragment_320.6500 0.005
fragment_218.0500 0.005
fragment_181.9500 0.005
fragment_709.2500 0.004
fragment_126.8500 0.004
fragment_324.1500 0.004
fragment_161.0500 0.004
fragment_217.0500 0.004
loss_48.0500 0.004
loss_80.0500 0.004
fragment_252.0500 0.004
fragment_289.1500 0.004
fragment_226.1500 0.003
fragment_406.1500 0.003
fragment_638.2500 0.003
fragment_392.2500 0.003
fragment_374.6500 0.003
fragment_426.1500 0.003
fragment_909.6500 0.003
fragment_126.0500 0.003
loss_92.1500 0.003
fragment_167.0500 0.003
fragment_489.2500 0.002
loss_149.1500 0.002
fragment_586.3500 0.002
fragment_368.1500 0.002
fragment_279.2500 0.002
loss_162.5500 0.002
fragment_337.2500 0.002
fragment_267.0500 0.002
loss_18.0500 0.002
loss_171.0500 0.002
fragment_758.3500 0.002
loss_79.0500 0.002
fragment_387.1500 0.002
fragment_365.2500 0.002
fragment_640.3500 0.002
fragment_296.2500 0.001
fragment_155.1500 0.001
fragment_455.5500 0.001
loss_81.7500 0.001
fragment_587.3500 0.001
fragment_602.3500 0.001
fragment_374.2500 0.001
fragment_405.2500 0.001
fragment_259.1500 0.001
fragment_232.1500 0.001
fragment_845.2500 0.001
fragment_489.7500 0.001
loss_47.5500 0.001
fragment_324.2500 0.001
fragment_415.1500 0.001
fragment_183.9500 0.001
loss_71.0500 0.001

Counts of Classyfire Substituent terms

Term name Count in motif Percentage in motif Percentage in experiment Absolute difference
Hydrocarbon derivative 50 100 100 0
Organooxygen compound 49 98 95.3 2.7
Organic nitrogen compound 33 66 55.6 10.4
Organonitrogen compound 32 64 54.1 9.9
Organopnictogen compound 26 52 45.2 6.8
Carbonyl group 23 46 44.0 2.0
Azacycle 18 36 22.6 13.4
Benzenoid 11 22 18.3 3.7
Alcohol 9 18 14.7 3.3
Organoheterocyclic compound 8 16 13.3 2.7
Aromatic heteropolycyclic compound 6 12 9.6 2.4
Amine 3 6 4.4 1.6
Carboxamide group 3 6 5.5 0.5
Oxacycle 3 6 7.9 1.9
Carboxylic acid ester 2 4 1.8 2.2
Heteroaromatic compound 1 2 5.8 3.8
Aliphatic acyclic compound 1 2 2.9 0.9

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_1619 466.3170 466.3170 None 0.946 0.061
document_5470 790.4480 790.4480 None 0.851 0.051
document_3422 620.3620 620.3620 None 0.789 0.441
document_2563 537.2520 537.2520 None 0.776 0.083
document_3443 623.3340 623.3340 Desferrioxamine E 0.742 0.312
document_2819 563.2990 563.2990 None 0.724 0.425
document_1668 469.2590 469.2590 None 0.629 0.060
document_2381 518.2780 518.2780 None 0.498 0.245
document_3433 621.8800 621.8800 None 0.482 0.044
document_3260 603.4970 603.4970 None 0.340 0.313
document_2380 518.2820 518.2820 None 0.296 0.259
document_2343 513.2970 513.2970 None 0.274 0.072
document_2993 577.3130 577.3130 None 0.263 0.373
document_3483 628.3470 628.3470 None 0.187 0.079
document_4752 717.3590 717.3590 None 0.186 0.202
document_217 409.1940 409.1940 None 0.165 0.318
document_341 413.2560 413.2560 None 0.148 0.097
document_3417 619.4370 619.4370 None 0.124 0.128
document_1247 443.2020 443.2020 None 0.124 0.200
document_1133 437.2300 437.2300 None 0.119 0.197
document_1610 466.1990 466.1990 None 0.105 0.085
document_3008 579.5350 579.5350 None 0.104 0.197
document_199 408.2330 408.2330 None 0.102 0.080
document_3036 583.3390 583.3390 None 0.102 0.292
document_2828 564.2950 564.2950 None 0.101 0.315
document_1248 443.2020 443.2020 None 0.096 0.203
document_1469 457.3110 457.3110 None 0.096 0.119
document_1352 449.2410 449.2410 None 0.096 0.111
document_2773 557.3570 557.3570 None 0.091 0.143
document_2064 498.1500 498.1500 None 0.079 0.197
document_2617 542.3930 542.3930 None 0.076 0.144
document_738 427.2040 427.2040 None 0.076 0.125
document_2632 545.3030 545.3030 None 0.075 0.152
document_2408 521.3580 521.3580 None 0.073 0.198
document_2686 550.2990 550.2990 None 0.071 0.169
document_2627 545.1060 545.1060 None 0.070 0.034
document_1166 439.2910 439.2910 None 0.070 0.049
document_3725 645.3580 645.3580 None 0.069 0.058
document_2311 511.3180 511.3180 None 0.067 0.197
document_4066 680.2680 680.2680 None 0.065 0.116
document_2335 513.2750 513.2750 None 0.064 0.034
document_3155 595.3390 595.3390 None 0.063 0.034
document_2494 529.3110 529.3110 None 0.063 0.145
document_2316 511.8330 511.8330 None 0.060 0.046
document_2013 495.2870 495.2870 None 0.059 0.229
document_3349 613.2480 613.2480 None 0.055 0.073
document_519 420.9840 420.9840 None 0.053 0.116
document_387 415.1370 415.1370 None 0.051 0.048
document_2044 497.3010 497.3010 Alteramide B 0.051 0.246
document_188 407.2380 407.2380 None 0.051 0.222

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.