Mass2Motif: motif_8

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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: Staurosporine related Mass2Motif (combined fragments 130 and 88 + loss of 129)

Short Annotation: Staurosporine related Mass2Motif

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 0.9710081871169377. 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_88.0500 0.402
loss_129.0500 0.204
fragment_130.0500 0.156
loss_128.0500 0.050
fragment_354.1500 0.034
loss_171.0500 0.023
fragment_311.0500 0.018
fragment_131.0500 0.015
fragment_296.1500 0.011
fragment_354.0500 0.011
loss_172.0500 0.007
fragment_312.0500 0.005
fragment_73.0500 0.004
fragment_309.1500 0.004
loss_127.0500 0.004
fragment_295.1500 0.003
fragment_268.0500 0.003
fragment_89.0500 0.003
fragment_370.1500 0.003
fragment_531.0500 0.002
fragment_56.0500 0.002
fragment_58.0500 0.002
fragment_224.6500 0.002
fragment_61.9500 0.001
loss_188.1500 0.001
fragment_533.0500 0.001
fragment_465.6500 0.001

Counts of Classyfire Substituent terms

Term name Count in motif Percentage in motif Percentage in experiment Absolute difference
Hydrocarbon derivative 87 100 100 0
Organooxygen compound 78 89.7 95.3 5.7
Organic nitrogen compound 74 85.1 55.6 29.4
Organonitrogen compound 71 81.6 54.1 27.5
Carbonyl group 67 77.0 44.0 33.0
Organopnictogen compound 64 73.6 45.2 28.3
Aliphatic acyclic compound 23 26.4 2.9 23.5
Azacycle 16 18.4 22.6 4.2
Carboxamide group 7 8.0 5.5 2.6
Alcohol 6 6.9 14.7 7.8
Organoheterocyclic compound 6 6.9 13.3 6.4
Benzenoid 5 5.7 18.3 12.6
Aromatic heteropolycyclic compound 5 5.7 9.6 3.9
Amine 5 5.7 4.4 1.4
Oxacycle 2 2.3 7.9 5.6
Heteroaromatic compound 2 2.3 5.8 3.5
Secondary alcohol 1 1.1 7.7 6.6

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_1837 483.2020 483.2020 None 0.938 0.872
document_2154 499.1980 499.1980 None 0.937 0.870
document_1803 483.1940 483.1940 7-OH-staurosporine 0.772 0.908
document_1838 483.2010 483.2010 None 0.715 0.468
document_1836 483.2010 483.2010 7-OH-staurosporine 0.712 0.897
document_1632 467.2080 467.2080 None 0.648 0.458
document_3027 582.2130 582.2130 None 0.648 0.597
document_3984 678.1230 678.1230 None 0.647 0.831
document_1630 467.2100 467.2100 Staurosporine 0.628 0.878
document_1804 483.1150 483.1150 7-OH-staurosporine 0.586 0.889
document_1629 467.2010 467.2010 Staurosporine 0.582 0.888
document_2036 497.1970 497.1970 None 0.576 0.579
document_1813 482.1250 482.1250 7-OH-staurosporine 0.539 0.702
document_665 422.1530 422.1530 None 0.510 0.835
document_384 415.0420 415.0420 None 0.387 0.400
document_1195 441.1930 441.1930 None 0.355 0.443
document_1196 441.1920 441.1920 None 0.324 0.284
document_224 410.1880 410.1880 None 0.322 0.277
document_4587 709.2870 709.2870 None 0.316 0.796
document_1197 441.1950 441.1950 None 0.309 0.261
document_1238 442.1520 442.1520 None 0.251 0.622
document_380 415.0420 415.0420 None 0.250 0.404
document_241 412.0830 412.0830 None 0.250 0.360
document_5789 933.3470 933.3470 None 0.239 0.584
document_381 415.0420 415.0420 None 0.221 0.402
document_379 415.0420 415.0420 None 0.206 0.404
document_219 409.2550 409.2550 None 0.202 0.254
document_1802 482.7650 482.7650 7-OH-staurosporine 0.199 0.618
document_382 415.0420 415.0420 None 0.190 0.402
document_62 403.5150 403.5150 None 0.188 0.402
document_334 414.7880 414.7880 None 0.182 0.403
document_1618 466.3160 466.3160 Glycocholic acid 0.179 0.269
document_2204 504.2670 504.2670 None 0.167 0.406
document_3293 608.3820 608.3820 None 0.156 0.560
document_1350 448.2400 448.2400 None 0.146 0.404
document_383 415.0420 415.0420 None 0.141 0.402
document_2196 503.2710 503.2710 None 0.130 0.413
document_169 406.3540 406.3540 None 0.129 0.404
document_170 406.3540 406.3540 None 0.128 0.402
document_1308 444.0050 444.0050 None 0.127 0.402
document_3800 655.0350 655.0350 None 0.122 0.402
document_1642 468.1820 468.1820 None 0.120 0.761
document_300 414.1340 414.1340 None 0.114 0.407
document_1479 458.5950 458.5950 None 0.108 0.402
document_2931 570.3490 570.3490 None 0.105 0.557
document_378 415.0420 415.0420 None 0.102 0.401
document_371 413.2890 413.2890 None 0.099 0.403
document_2658 547.1200 547.1200 None 0.092 0.156
document_17 400.3800 400.3800 None 0.091 0.402
document_1715 473.2310 473.2310 None 0.090 0.563
document_2064 498.1500 498.1500 None 0.089 0.257
document_4875 725.2820 725.2820 None 0.084 0.608
document_1958 490.4480 490.4480 None 0.082 0.402
document_4370 699.0890 699.0890 None 0.082 0.402
document_1309 443.3330 443.3330 None 0.081 0.402
document_1318 444.9200 444.9200 None 0.081 0.401
document_1279 443.3140 443.3140 None 0.080 0.402
document_1792 478.7280 478.7280 None 0.079 0.404
document_2510 531.3850 531.3850 None 0.077 0.405
document_125 402.3940 402.3940 None 0.077 0.402
document_231 410.4350 410.4350 None 0.073 0.400
document_5079 738.3950 738.3950 None 0.073 0.402
document_163 405.2930 405.2930 None 0.073 0.457
document_1316 444.4070 444.4070 None 0.073 0.402
document_2350 514.2860 514.2860 None 0.071 0.404
document_1372 450.3200 450.3200 HMDB:HMDB00631-862 Deoxycholic acid glycine conjugate 0.070 0.254
document_1502 459.1800 459.1800 None 0.067 0.375
document_2683 550.2220 550.2220 None 0.067 0.205
document_5833 965.3950 965.3950 None 0.067 0.613
document_368 413.2700 413.2700 None 0.067 0.401
document_272 413.2100 413.2100 None 0.065 0.401
document_1377 451.1210 451.1210 None 0.064 0.558
document_1847 484.1660 484.1660 None 0.064 0.254
document_1310 443.3340 443.3340 None 0.063 0.402
document_1925 488.4330 488.4330 None 0.063 0.402
document_2662 547.3430 547.3430 None 0.063 0.557
document_420 417.2340 417.2340 None 0.060 0.204
document_1485 457.3940 457.3940 None 0.060 0.402
document_2285 509.2250 509.2250 None 0.058 0.206
document_1974 492.4170 492.4170 None 0.055 0.402
document_290 415.0340 415.0340 None 0.055 0.406
document_4149 686.2960 686.2960 None 0.055 0.606
document_377 415.0400 415.0400 None 0.054 0.403
document_1227 444.2250 444.2250 None 0.052 0.404
document_2673 549.1720 549.1720 None 0.052 0.359
document_3812 657.3760 657.3760 None 0.051 0.402
document_1482 458.2060 458.2060 None 0.050 0.159

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.