Mass2Motif: motif_12

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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: 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 0.9654062053307259. 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_196.1500 0.389
fragment_255.0500 0.106
fragment_214.2500 0.061
fragment_197.1500 0.039
fragment_256.2500 0.027
fragment_373.2500 0.015
fragment_374.2500 0.015
fragment_345.1500 0.015
fragment_457.2500 0.015
loss_127.9500 0.015
fragment_212.0500 0.014
loss_194.0500 0.012
loss_66.0500 0.012
fragment_124.0500 0.011
loss_84.1500 0.011
fragment_215.2500 0.010
loss_106.0500 0.010
fragment_737.4500 0.010
fragment_704.1500 0.009
fragment_454.2500 0.009
fragment_186.2500 0.008
fragment_100.9500 0.008
fragment_130.9500 0.007
fragment_82.4500 0.006
loss_197.0500 0.005
fragment_183.0500 0.005
loss_126.9500 0.005
fragment_700.5500 0.005
fragment_60.0500 0.005
fragment_718.1500 0.004
fragment_426.2500 0.004
fragment_234.0500 0.004
loss_195.2500 0.004
fragment_595.9500 0.004
loss_19.5500 0.004
fragment_256.0500 0.004
fragment_214.9500 0.004
fragment_458.2500 0.004
loss_84.0500 0.004
fragment_184.1500 0.003
fragment_375.2500 0.003
loss_142.2500 0.003
fragment_227.4500 0.003
fragment_257.2500 0.003
fragment_756.9500 0.003
fragment_713.4500 0.003
fragment_198.1500 0.003
fragment_249.0500 0.002
fragment_341.1500 0.002
fragment_132.1500 0.002
fragment_231.7500 0.002
loss_197.4500 0.002
loss_109.2500 0.002
fragment_96.0500 0.002
fragment_299.0500 0.002
fragment_123.7500 0.002
loss_130.1500 0.002
fragment_368.3500 0.002
fragment_57.0500 0.002
fragment_433.0500 0.002
loss_183.6500 0.002
fragment_306.0500 0.001
loss_123.1500 0.001
loss_83.2500 0.001
fragment_298.1500 0.001
fragment_268.4500 0.001
loss_139.6500 0.001
loss_180.1500 0.001
loss_134.0500 0.001
fragment_175.0500 0.001
fragment_345.9500 0.001
fragment_71.0500 0.001

Counts of Classyfire Substituent terms

Term name Count in motif Percentage in motif Percentage in experiment Absolute difference
Hydrocarbon derivative 56 100 100 0
Organooxygen compound 53 94.6 95.3 0.7
Organic nitrogen compound 23 41.1 55.6 14.6
Organonitrogen compound 22 39.3 54.1 14.8
Organopnictogen compound 17 30.4 45.2 14.9
Benzenoid 14 25 18.3 6.7
Carbonyl group 12 21.4 44.0 22.6
Azacycle 12 21.4 22.6 1.2
Aromatic heteropolycyclic compound 8 14.3 9.6 4.6
Alcohol 4 7.1 14.7 7.5
Oxacycle 4 7.1 7.9 0.8
Organoheterocyclic compound 3 5.4 13.3 8.0
Aliphatic acyclic compound 3 5.4 2.9 2.4
Carboxamide group 2 3.6 5.5 1.9
Secondary alcohol 2 3.6 7.7 4.1
Oxane 1 1.8 1.9 0.1
Acetal 1 1.8 1.5 0.3
Glycosyl compound 1 1.8 0.7 1.0

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_3387 615.5060 615.5060 None 0.893 0.104
document_1989 493.4750 493.4750 None 0.847 0.081
document_230 410.3630 410.3630 None 0.577 0.513
document_823 429.2460 429.2460 None 0.558 0.515
document_1398 452.4450 452.4450 None 0.554 0.497
document_710 427.3590 427.3590 None 0.539 0.087
document_829 429.2460 429.2460 None 0.523 0.437
document_3044 585.2410 585.2410 None 0.489 0.056
document_818 429.2450 429.2450 None 0.484 0.526
document_231 410.4350 410.4350 None 0.440 0.033
document_1771 477.2020 477.2020 None 0.429 0.400
document_414 417.1170 417.1170 None 0.424 0.110
document_812 429.2430 429.2430 None 0.374 0.411
document_3945 673.3200 673.3200 None 0.351 0.392
document_196 408.1960 408.1960 None 0.350 0.425
document_711 425.9060 425.9060 None 0.290 0.112
document_1216 441.3030 441.3030 None 0.256 0.431
document_64 401.2470 401.2470 None 0.251 0.437
document_821 429.2460 429.2460 None 0.236 0.394
document_814 429.2430 429.2430 None 0.214 0.537
document_815 429.2450 429.2450 None 0.191 0.495
document_47 401.2470 401.2470 None 0.184 0.389
document_810 429.2440 429.2440 None 0.176 0.395
document_48 401.2490 401.2490 None 0.168 0.389
document_822 429.2460 429.2460 None 0.167 0.386
document_58 401.2470 401.2470 None 0.167 0.386
document_57 401.2470 401.2470 None 0.163 0.389
document_806 429.2450 429.2450 None 0.160 0.492
document_825 429.2460 429.2460 None 0.156 0.494
document_1643 468.2800 468.2800 None 0.154 0.431
document_3804 655.4360 655.4360 None 0.145 0.134
document_59 401.2470 401.2470 None 0.130 0.391
document_2283 508.5810 508.5810 None 0.120 0.033
document_51 401.2470 401.2470 None 0.118 0.388
document_2591 541.1950 541.1950 None 0.113 0.429
document_5029 735.4250 735.4250 None 0.108 0.110
document_706 425.2700 425.2700 None 0.098 0.442
document_3692 641.4190 641.4190 None 0.096 0.106
document_2036 497.1970 497.1970 None 0.096 0.388
document_2206 504.2790 504.2790 None 0.095 0.391
document_1018 431.2500 431.2500 None 0.093 0.408
document_3483 628.3470 628.3470 None 0.090 0.389
document_1963 491.2970 491.2970 None 0.087 0.401
document_3468 627.2830 627.2830 None 0.079 0.106
document_1154 438.5040 438.5040 None 0.078 0.071
document_56 401.2470 401.2470 None 0.076 0.389
document_764 429.1790 429.1790 None 0.075 0.106
document_313 413.2220 413.2220 None 0.069 0.106
document_805 429.2430 429.2430 None 0.066 0.497
document_804 429.2420 429.2420 None 0.065 0.394
document_1472 457.3240 457.3240 None 0.064 0.112
document_80 401.2740 401.2740 None 0.056 0.396
document_1484 458.6940 458.6940 None 0.052 0.014
document_337 413.2520 413.2520 None 0.051 0.388
document_594 421.2320 421.2320 None 0.051 0.427
document_1099 435.2170 435.2170 None 0.050 0.391

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.