Mass2Motif: motif_113

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: Streptomyces dominated motif - terpene related??!

Short Annotation: Streptomyces dominated motif - terpene 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 0.9622072523409266. 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_220.1500 0.295
fragment_336.2500 0.189
loss_184.1500 0.079
fragment_221.1500 0.049
fragment_102.1500 0.048
fragment_836.4500 0.029
fragment_337.2500 0.029
fragment_94.0500 0.025
loss_183.1500 0.021
fragment_541.3500 0.020
fragment_222.1500 0.014
fragment_837.4500 0.011
fragment_165.1500 0.010
fragment_350.2500 0.009
loss_164.0500 0.009
fragment_349.0500 0.009
fragment_311.0500 0.008
fragment_778.8500 0.006
fragment_101.0500 0.006
fragment_542.3500 0.005
fragment_957.2500 0.005
loss_144.3500 0.005
fragment_115.6500 0.005
fragment_271.0500 0.005
fragment_238.1500 0.004
fragment_78.9500 0.004
fragment_87.9500 0.003
fragment_838.4500 0.003
fragment_338.2500 0.003
loss_86.0500 0.003
fragment_837.5500 0.003
fragment_164.1500 0.003
fragment_676.3500 0.003
fragment_809.5500 0.002
fragment_451.2500 0.002
fragment_208.1500 0.002
fragment_325.2500 0.002
fragment_832.8500 0.002
fragment_779.8500 0.002
fragment_405.1500 0.002
fragment_715.7500 0.002
fragment_367.9500 0.002
fragment_234.1500 0.002
fragment_907.0500 0.002
loss_194.5500 0.002
fragment_122.0500 0.002
fragment_306.1500 0.002
fragment_133.6500 0.001
fragment_447.3500 0.001
fragment_513.3500 0.001
fragment_428.2500 0.001
fragment_108.0500 0.001
fragment_292.1500 0.001
loss_84.9500 0.001
fragment_778.0500 0.001
fragment_729.7500 0.001
fragment_166.1500 0.001
fragment_319.2500 0.001
fragment_332.1500 0.001
fragment_151.0500 0.001

Counts of Classyfire Substituent terms

Term name Count in motif Percentage in motif Percentage in experiment Absolute difference
Hydrocarbon derivative 71 100 100 0
Organooxygen compound 69 97.2 95.3 1.9
Organic nitrogen compound 62 87.3 55.6 31.7
Organonitrogen compound 62 87.3 54.1 33.2
Organopnictogen compound 61 85.9 45.2 40.7
Azacycle 42 59.2 22.6 36.5
Benzenoid 19 26.8 18.3 8.4
Heteroaromatic compound 18 25.4 5.8 19.6
Carbonyl group 12 16.9 44.0 27.1
Aromatic heteropolycyclic compound 12 16.9 9.6 7.3
Amine 10 14.1 4.4 9.7
Organoheterocyclic compound 6 8.5 13.3 4.9
Oxacycle 3 4.2 7.9 3.7
Alcohol 2 2.8 14.7 11.8
Carboxylic acid ester 2 2.8 1.8 1.0
Aliphatic acyclic compound 2 2.8 2.9 0.1
Carboxamide group 1 1.4 5.5 4.1

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_148 404.2380 404.2380 None 0.982 0.473
document_145 404.2390 404.2390 None 0.963 0.468
document_150 404.2400 404.2400 None 0.959 0.454
document_3763 649.5100 649.5100 None 0.947 0.566
document_3761 649.5130 649.5130 None 0.939 0.574
document_147 404.2370 404.2370 None 0.906 0.482
document_5880 1049.6021 1049.6021 None 0.886 0.060
document_3754 649.4850 649.4850 None 0.878 0.609
document_146 404.2380 404.2380 None 0.868 0.635
document_5898 1101.5730 1101.5730 None 0.810 0.065
document_3717 646.3870 646.3870 None 0.772 0.610
document_3762 649.5080 649.5080 None 0.769 0.563
document_5412 771.4240 771.4240 None 0.724 0.028
document_3741 646.2990 646.2990 None 0.709 0.228
document_3755 647.4930 647.4930 None 0.703 0.220
document_149 404.2400 404.2400 None 0.696 0.504
document_4755 717.5440 717.5440 None 0.621 0.605
document_3262 603.4690 603.4690 None 0.620 0.221
document_2169 499.3150 499.3150 None 0.619 0.054
document_3857 662.4740 662.4740 None 0.597 0.548
document_3760 649.5120 649.5120 None 0.591 0.251
document_4389 701.5030 701.5030 None 0.558 0.513
document_2331 513.1650 513.1650 None 0.516 0.026
document_3863 663.4910 663.4910 None 0.502 0.257
document_144 404.2380 404.2380 None 0.496 0.707
document_3764 649.5120 649.5120 None 0.493 0.244
document_2390 519.3780 519.3780 None 0.488 0.350
document_5881 1049.6021 1049.6021 None 0.427 0.040
document_3848 661.4770 661.4770 None 0.397 0.243
document_1944 489.3650 489.3650 None 0.392 0.316
document_3753 647.4800 647.4800 None 0.365 0.230
document_3548 634.5210 634.5210 None 0.342 0.559
document_3250 602.4150 602.4150 None 0.337 0.250
document_3148 593.4490 593.4490 None 0.326 0.381
document_3213 598.3830 598.3830 None 0.312 0.025
document_1903 487.2880 487.2880 None 0.303 0.148
document_2184 501.3660 501.3660 None 0.300 0.056
document_3529 633.5180 633.5180 None 0.274 0.549
document_1942 489.3660 489.3660 None 0.259 0.386
document_3867 663.4910 663.4910 None 0.258 0.388
document_3404 617.4480 617.4480 None 0.258 0.543
document_2785 559.4170 559.4170 None 0.257 0.309
document_1945 489.3670 489.3670 None 0.253 0.363
document_1522 460.3010 460.3010 None 0.249 0.475
document_228 410.2170 410.2170 None 0.223 0.046
document_3976 676.4890 676.4890 None 0.220 0.301
document_3855 662.4670 662.4670 None 0.214 0.488
document_3707 645.2020 645.2020 None 0.189 0.316
document_1941 489.3660 489.3660 None 0.183 0.396
document_1946 489.3660 489.3660 None 0.182 0.347
document_1943 489.3660 489.3660 None 0.178 0.323
document_2137 498.9010 498.9010 None 0.161 0.054
document_3513 631.5020 631.5020 None 0.159 0.571
document_3847 661.4770 661.4770 None 0.152 0.529
document_4007 679.2990 679.2990 None 0.150 0.340
document_2050 497.3050 497.3050 None 0.145 0.054
document_2183 501.3530 501.3530 None 0.124 0.083
document_1947 489.3670 489.3670 None 0.113 0.318
document_3736 645.5160 645.5160 None 0.111 0.521
document_2182 501.3540 501.3540 None 0.107 0.054
document_3517 631.5020 631.5020 None 0.081 0.484
document_294 413.2150 413.2150 MLS001060855-01! 0.080 0.295
document_4374 699.4900 699.4900 None 0.075 0.486
document_3512 631.5010 631.5010 None 0.074 0.543
document_1670 469.2440 469.2440 None 0.068 0.317
document_3040 583.5030 583.5030 None 0.066 0.029
document_2153 498.9130 498.9130 None 0.065 0.048
document_3982 677.4710 677.4710 None 0.063 0.192
document_2975 575.4390 575.4390 None 0.062 0.510
document_1152 437.2740 437.2740 None 0.060 0.295
document_3465 627.8630 627.8630 None 0.059 0.486

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.