Mass2Motif: motif_237

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 0.8889283811230726. 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_18.0500 0.389
fragment_134.0500 0.162
loss_17.0500 0.048
fragment_884.3500 0.025
loss_36.0500 0.023
fragment_198.1500 0.022
fragment_124.0500 0.019
loss_54.0500 0.018
fragment_190.0500 0.014
fragment_552.4500 0.009
fragment_387.0500 0.008
fragment_517.2500 0.007
fragment_570.4500 0.007
fragment_212.1500 0.006
fragment_885.3500 0.006
fragment_56.0500 0.006
fragment_325.2500 0.005
fragment_153.0500 0.005
fragment_866.3500 0.004
loss_35.0500 0.004
fragment_901.2500 0.003
fragment_697.2500 0.003
fragment_653.2500 0.003
fragment_839.2500 0.003
fragment_867.3500 0.003
fragment_472.0500 0.003
fragment_180.0500 0.003
fragment_785.9500 0.002
loss_118.4500 0.002
fragment_427.2500 0.002
fragment_330.1500 0.002
loss_75.5500 0.002
loss_74.5500 0.002
fragment_218.1500 0.002
fragment_573.1500 0.002
fragment_164.1500 0.002
fragment_956.4500 0.002
fragment_490.1500 0.002
fragment_970.9500 0.002
fragment_787.4500 0.002
fragment_173.1500 0.002
fragment_956.6500 0.002
loss_20.5500 0.002
fragment_429.3500 0.002
loss_137.0500 0.002
fragment_257.0500 0.002
fragment_848.2500 0.002
fragment_647.2500 0.002
fragment_261.0500 0.002
fragment_666.2500 0.002
fragment_970.4500 0.002
fragment_500.2500 0.002
loss_80.5500 0.002
fragment_850.3500 0.002
fragment_462.2500 0.002
fragment_77.0500 0.002
loss_103.7500 0.002
fragment_920.8500 0.001
fragment_518.2500 0.001
fragment_405.0500 0.001
fragment_362.7500 0.001
fragment_59.8500 0.001
fragment_808.3500 0.001
loss_19.5500 0.001
fragment_348.1500 0.001
fragment_915.4500 0.001
fragment_638.7500 0.001
fragment_877.5500 0.001
fragment_837.8500 0.001
fragment_491.1500 0.001
fragment_516.0500 0.001
fragment_648.2500 0.001
fragment_116.1500 0.001
fragment_949.7500 0.001
fragment_703.9500 0.001
loss_65.9500 0.001
fragment_647.7500 0.001

Counts of Classyfire Substituent terms

Term name Count in motif Percentage in motif Percentage in experiment Absolute difference
Hydrocarbon derivative 80 100 100 0
Organooxygen compound 76 95 95.3 0.3
Organic nitrogen compound 55 68.8 55.6 13.1
Organonitrogen compound 51 63.8 54.1 9.6
Organopnictogen compound 48 60 45.2 14.8
Carbonyl group 44 55 44.0 11.0
Azacycle 33 41.3 22.6 18.6
Alcohol 18 22.5 14.7 7.8
Organoheterocyclic compound 17 21.3 13.3 7.9
Oxacycle 12 15 7.9 7.1
Amine 11 13.8 4.4 9.4
Benzenoid 11 13.8 18.3 4.6
Secondary alcohol 8 10 7.7 2.3
Carboxamide group 8 10 5.5 4.5
Aromatic heteropolycyclic compound 5 6.3 9.6 3.4
Oxane 3 3.8 1.9 1.8
Acetal 3 3.8 1.5 2.3
Primary alcohol 3 3.8 0.9 2.9
O-glycosyl compound 2 2.5 1.2 1.3
Polyol 2 2.5 1.6 0.9
Heteroaromatic compound 2 2.5 5.8 3.3
Carboxylic acid ester 2 2.5 1.8 0.7
Primary amine 1 1.3 0.5 0.8
Glycosyl compound 1 1.3 0.7 0.5
1-hydroxy-2-unsubstituted benzenoid 1 1.3 1.3 0.0
Aliphatic acyclic compound 1 1.3 2.9 1.7

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_5748 902.3340 902.3340 None 0.985 0.532
document_3909 668.2400 668.2400 None 0.740 0.162
document_3138 592.2660 592.2660 None 0.733 0.190
document_2293 510.7510 510.7510 None 0.723 0.185
document_4533 704.8330 704.8330 None 0.626 0.207
document_4610 712.0180 712.0180 None 0.620 0.203
document_2549 535.2790 535.2790 None 0.596 0.474
document_4861 722.8320 722.8320 None 0.590 0.210
document_5361 769.9850 769.9850 None 0.587 0.033
document_5750 902.3390 902.3390 None 0.584 0.475
document_3869 664.3700 664.3700 None 0.578 0.027
document_4919 727.8360 727.8360 None 0.577 0.187
document_4920 727.8360 727.8360 None 0.543 0.202
document_3096 588.4960 588.4960 None 0.433 0.432
document_3041 583.5500 583.5500 None 0.429 0.389
document_2657 546.4890 546.4890 None 0.393 0.424
document_5756 906.3140 906.3140 None 0.391 0.482
document_5749 902.3480 902.3480 None 0.372 0.443
document_5423 776.3330 776.3330 None 0.371 0.457
document_5734 892.2980 892.2980 None 0.355 0.485
document_5802 944.3410 944.3410 None 0.341 0.452
document_3709 643.5850 643.5850 None 0.306 0.440
document_3035 583.2950 583.2950 None 0.284 0.394
document_3309 609.3410 609.3410 None 0.283 0.411
document_5531 807.4210 807.4210 None 0.267 0.389
document_3304 609.3400 609.3400 None 0.264 0.391
document_2292 510.7500 510.7500 None 0.256 0.181
document_409 416.1930 416.1930 None 0.232 0.187
document_2045 497.3020 497.3020 None 0.227 0.418
document_1904 487.2900 487.2900 None 0.226 0.070
document_5868 1038.5050 1038.5050 None 0.223 0.472
document_2046 497.3020 497.3020 None 0.221 0.459
document_1113 435.2720 435.2720 None 0.216 0.396
document_3305 609.3380 609.3380 None 0.214 0.387
document_4921 727.8370 727.8370 None 0.211 0.166
document_2009 495.2840 495.2840 None 0.199 0.461
document_1846 484.1610 484.1610 None 0.188 0.460
document_4864 723.4100 723.4100 None 0.175 0.456
document_5861 1020.4950 1020.4950 Salinamide A 0.168 0.574
document_2044 497.3010 497.3010 Alteramide B 0.164 0.478
document_5168 741.3440 741.3440 None 0.157 0.389
document_2398 520.3320 520.3320 None 0.150 0.468
document_720 426.3580 426.3580 None 0.142 0.163
document_3986 678.2510 678.2510 None 0.141 0.389
document_5436 779.3900 779.3900 None 0.140 0.436
document_374 413.3770 413.3770 None 0.137 0.390
document_5410 771.3700 771.3700 None 0.129 0.463
document_3450 625.2950 625.2950 None 0.128 0.181
document_4847 722.4570 722.4570 None 0.125 0.162
document_2011 495.2830 495.2830 None 0.124 0.463
document_1991 494.2350 494.2350 None 0.119 0.022
document_4479 703.3190 703.3190 None 0.109 0.467
document_2481 528.3200 528.3200 None 0.104 0.181
document_2008 495.2830 495.2830 None 0.099 0.410
document_2624 543.3290 543.3290 None 0.093 0.436
document_4296 692.2720 692.2720 None 0.088 0.390
document_4615 712.2560 712.2560 None 0.086 0.389
document_757 429.0600 429.0600 None 0.086 0.389
document_2944 571.2740 571.2740 None 0.082 0.469
document_132 403.3420 403.3420 None 0.081 0.165
document_5329 763.4040 763.4040 None 0.077 0.436
document_2285 509.2250 509.2250 None 0.075 0.394
document_3594 636.4180 636.4180 None 0.072 0.389
document_5730 888.2990 888.2990 None 0.072 0.389
document_2307 511.2790 511.2790 None 0.071 0.459
document_647 421.2340 421.2340 None 0.071 0.162
document_709 425.8390 425.8390 None 0.069 0.167
document_1764 476.3040 476.3040 None 0.068 0.162
document_451 418.3890 418.3890 None 0.065 0.436
document_199 408.2330 408.2330 None 0.063 0.399
document_2686 550.2990 550.2990 None 0.062 0.208
document_3462 625.5510 625.5510 None 0.058 0.436
document_5772 916.2990 916.2990 None 0.057 0.463
document_718 426.3190 426.3190 MLS000830274-01!Ethmozine 0.057 0.162
document_2533 533.2600 533.2600 None 0.056 0.389
document_1347 448.1750 448.1750 None 0.056 0.389
document_5473 791.4510 791.4510 None 0.054 0.391
document_1278 443.2760 443.2760 None 0.053 0.396
document_3421 620.2580 620.2580 None 0.053 0.390
document_3597 636.4190 636.4190 None 0.050 0.388

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.