Mass2Motif: motif_259

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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: Loss of 60 - Streptomyces and related block of species - Loss of O-Acetylgroup (C2H4O2)

Short Annotation: Loss of O-Acetylgroup (C2H4O2) - Streptomyces related

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 0.9701234683180786. 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_60.0500 0.300
fragment_423.2500 0.155
fragment_465.2500 0.089
loss_104.0500 0.055
fragment_393.2500 0.045
loss_59.0500 0.035
fragment_424.2500 0.035
fragment_425.2500 0.031
loss_92.0500 0.027
fragment_495.2500 0.022
fragment_467.2500 0.015
fragment_466.2500 0.012
fragment_453.2500 0.010
loss_58.0500 0.009
loss_134.0500 0.009
fragment_347.1500 0.008
loss_135.0500 0.007
loss_164.1500 0.006
fragment_435.2500 0.006
fragment_177.0500 0.005
fragment_439.2500 0.005
fragment_130.1500 0.005
loss_102.0500 0.005
loss_184.2500 0.005
fragment_306.1500 0.004
loss_106.0500 0.004
loss_120.1500 0.004
loss_148.1500 0.004
fragment_255.9500 0.003
fragment_337.2500 0.003
fragment_309.1500 0.003
loss_179.1500 0.003
fragment_497.3500 0.003
fragment_210.6500 0.003
fragment_393.1500 0.003
loss_160.1500 0.003
loss_103.0500 0.002
loss_170.2500 0.002
fragment_188.1500 0.002
loss_158.0500 0.002
fragment_339.2500 0.002
loss_145.9500 0.002
loss_106.1500 0.002
fragment_294.0500 0.002
fragment_454.2500 0.002
fragment_379.2500 0.001
fragment_122.0500 0.001
fragment_241.1500 0.001
fragment_352.9500 0.001
fragment_315.9500 0.001
loss_169.3500 0.001
fragment_391.2500 0.001
fragment_325.8500 0.001
fragment_353.2500 0.001

Counts of Classyfire Substituent terms

Term name Count in motif Percentage in motif Percentage in experiment Absolute difference
Hydrocarbon derivative 70 100 100 0
Organooxygen compound 69 98.6 95.3 3.2
Organic nitrogen compound 34 48.6 55.6 7.1
Organonitrogen compound 31 44.3 54.1 9.8
Benzenoid 25 35.7 18.3 17.4
Carbonyl group 25 35.7 44.0 8.3
Aromatic heteropolycyclic compound 20 28.6 9.6 18.9
Organopnictogen compound 19 27.1 45.2 18.1
Azacycle 14 20 22.6 2.6
Organoheterocyclic compound 11 15.7 13.3 2.4
Alcohol 10 14.3 14.7 0.4
Oxacycle 6 8.6 7.9 0.7
Secondary alcohol 5 7.1 7.7 0.6
Heteroaromatic compound 5 7.1 5.8 1.4
Polyol 2 2.9 1.6 1.3
1-hydroxy-2-unsubstituted benzenoid 2 2.9 1.3 1.6
Carboxylic acid ester 2 2.9 1.8 1.1
Oxane 2 2.9 1.9 1.0
Amine 1 1.4 4.4 2.9
Phenol 1 1.4 0.5 1.0
Primary alcohol 1 1.4 0.9 0.6

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_5900 1104.6730 1104.6730 None 0.941 0.348
document_2442 525.3020 525.3020 None 0.798 0.671
document_1861 485.2690 485.2690 None 0.667 0.598
document_2466 527.3160 527.3160 None 0.650 0.764
document_1856 485.2670 485.2670 None 0.641 0.612
document_1858 485.2690 485.2690 None 0.623 0.662
document_2471 527.3170 527.3170 None 0.591 0.197
document_1859 485.2730 485.2730 None 0.522 0.308
document_2470 527.3160 527.3160 None 0.519 0.676
document_1860 485.2700 485.2700 None 0.477 0.565
document_166 406.1680 406.1680 None 0.477 0.347
document_2770 557.3260 557.3260 None 0.466 0.566
document_2769 557.3260 557.3260 None 0.434 0.373
document_2468 527.3160 527.3160 None 0.404 0.249
document_1855 485.2680 485.2680 None 0.363 0.671
document_1404 453.2230 453.2230 None 0.347 0.342
document_699 425.2150 425.2150 None 0.341 0.303
document_2426 523.3230 523.3230 None 0.330 0.355
document_2469 527.3160 527.3160 None 0.322 0.253
document_1857 485.2670 485.2670 None 0.317 0.244
document_698 425.2210 425.2210 None 0.315 0.348
document_2473 527.3170 527.3170 None 0.282 0.247
document_736 427.1930 427.1930 None 0.278 0.305
document_2467 527.3150 527.3150 None 0.255 0.291
document_3899 667.3240 667.3240 None 0.197 0.340
document_701 425.2270 425.2270 None 0.183 0.335
document_1862 485.2700 485.2700 None 0.167 0.195
document_5613 835.5500 835.5500 None 0.165 0.117
document_5565 819.4680 819.4680 None 0.149 0.190
document_524 421.1250 421.1250 MLS000876958-01!2-(3,4-dimethoxyphenyl)-5-hydroxy-3,6,7,8-tetramethoxychromen-4-one 0.137 0.340
document_5671 849.5680 849.5680 None 0.136 0.122
document_5285 757.3940 757.3940 None 0.135 0.334
document_1259 443.2310 443.2310 None 0.129 0.326
document_3317 611.4100 611.4100 None 0.122 0.367
document_2668 548.4380 548.4380 None 0.116 0.301
document_2698 551.3340 551.3340 None 0.116 0.121
document_1206 441.2640 441.2640 None 0.113 0.300
document_4959 731.4680 731.4680 None 0.112 0.049
document_3313 610.3240 610.3240 None 0.106 0.036
document_2049 497.3050 497.3050 None 0.106 0.195
document_1253 443.2280 443.2280 None 0.105 0.305
document_1036 432.3450 432.3450 None 0.104 0.335
document_4757 718.2880 718.2880 None 0.103 0.300
document_1249 443.2240 443.2240 None 0.103 0.367
document_3484 628.3720 628.3720 None 0.102 0.045
document_1252 443.2220 443.2220 None 0.100 0.305
document_2488 529.1810 529.1810 None 0.098 0.309
document_4843 722.2680 722.2680 None 0.094 0.310
document_1223 443.2040 443.2040 None 0.094 0.336
document_1194 441.1730 441.1730 None 0.088 0.087
document_2771 557.3250 557.3250 None 0.084 0.062
document_1604 465.2300 465.2300 None 0.082 0.338
document_3268 604.3690 604.3690 None 0.082 0.207
document_5156 740.5160 740.5160 None 0.080 0.089
document_2047 497.3050 497.3050 None 0.077 0.353
document_3802 655.3220 655.3220 None 0.076 0.327
document_2667 548.4380 548.4380 None 0.074 0.336
document_536 421.1950 421.1950 None 0.069 0.335
document_763 429.1780 429.1780 None 0.069 0.300
document_2352 515.0940 515.0940 None 0.068 0.302
document_2656 546.4230 546.4230 None 0.067 0.345
document_2810 562.4440 562.4440 None 0.063 0.335
document_1267 443.2380 443.2380 None 0.062 0.308
document_1427 455.2590 455.2590 None 0.061 0.162
document_700 425.2270 425.2270 None 0.059 0.303
document_1913 487.3580 487.3580 None 0.058 0.305
document_1710 473.2320 473.2320 None 0.057 0.335
document_1709 473.2310 473.2310 None 0.054 0.332
document_1872 485.2910 485.2910 None 0.052 0.190
document_2837 565.3700 565.3700 None 0.050 0.099

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.