Mass2Motif: motif_15

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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 0.9527822759889438. 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_99.0500 0.410
loss_135.9500 0.206
loss_134.9500 0.063
fragment_352.3500 0.026
fragment_831.5500 0.015
fragment_573.1500 0.015
loss_133.9500 0.014
fragment_676.2500 0.013
fragment_378.2500 0.012
fragment_762.4500 0.012
fragment_77.6500 0.009
fragment_398.3500 0.008
loss_47.4500 0.008
fragment_313.0500 0.007
loss_132.6500 0.007
fragment_574.1500 0.006
fragment_264.5500 0.006
fragment_763.5500 0.006
fragment_85.0500 0.005
loss_144.6500 0.005
fragment_161.0500 0.004
fragment_764.5500 0.003
fragment_646.4500 0.003
loss_81.0500 0.003
fragment_347.1500 0.003
fragment_364.7500 0.003
loss_100.6500 0.003
fragment_345.0500 0.003
loss_83.3500 0.003
loss_123.1500 0.003
fragment_174.0500 0.003
fragment_619.0500 0.003
fragment_99.4500 0.003
fragment_330.9500 0.003
loss_114.8500 0.003
fragment_143.0500 0.002
fragment_297.0500 0.002
fragment_475.7500 0.002
fragment_494.1500 0.002
fragment_353.3500 0.002
fragment_830.4500 0.002
fragment_506.2500 0.002
fragment_196.8500 0.002
loss_61.6500 0.002
fragment_314.8500 0.002
fragment_54.9500 0.002
fragment_585.8500 0.002
fragment_310.8500 0.002
fragment_231.1500 0.002
loss_64.4500 0.002
fragment_834.0500 0.002
fragment_217.9500 0.002
fragment_304.9500 0.002
fragment_326.1500 0.002
fragment_117.0500 0.001
fragment_856.3500 0.001
fragment_234.9500 0.001
loss_192.0500 0.001
fragment_706.4500 0.001
fragment_522.3500 0.001
fragment_359.0500 0.001
fragment_696.3500 0.001
fragment_340.1500 0.001
loss_152.9500 0.001
fragment_770.8500 0.001
fragment_103.0500 0.001
fragment_660.2500 0.001

Counts of Classyfire Substituent terms

Term name Count in motif Percentage in motif Percentage in experiment Absolute difference
Hydrocarbon derivative 57 100 100 0
Organooxygen compound 43 75.4 95.3 19.9
Organic nitrogen compound 18 31.6 55.6 24.1
Organonitrogen compound 17 29.8 54.1 24.3
Carbonyl group 17 29.8 44.0 14.2
Organopnictogen compound 10 17.5 45.2 27.7
Alcohol 6 10.5 14.7 4.1
Organoheterocyclic compound 5 8.8 13.3 4.6
Secondary alcohol 4 7.0 7.7 0.7
Oxacycle 4 7.0 7.9 0.9
Azacycle 2 3.5 22.6 19.1
Heteroaromatic compound 2 3.5 5.8 2.2
Benzenoid 1 1.8 18.3 16.6
Aromatic heteropolycyclic compound 1 1.8 9.6 7.9

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_4584 709.1200 709.1200 None 0.947 0.702
document_2694 551.2700 551.2700 None 0.937 0.420
document_2753 555.4130 555.4130 None 0.925 0.028
document_2916 568.2950 568.2950 None 0.920 0.415
document_2909 568.2970 568.2970 None 0.916 0.422
document_2703 551.2680 551.2680 None 0.910 0.413
document_2912 568.2950 568.2950 None 0.889 0.418
document_3442 623.2890 623.2890 None 0.883 0.416
document_3682 640.3180 640.3180 None 0.883 0.423
document_2911 568.2930 568.2930 None 0.877 0.413
document_3029 582.3260 582.3260 None 0.868 0.415
document_5741 898.4700 898.4700 None 0.865 0.332
document_2914 568.2960 568.2960 None 0.851 0.421
document_2917 568.2960 568.2960 None 0.848 0.415
document_2919 568.2960 568.2960 None 0.846 0.412
document_5543 812.2230 812.2230 None 0.812 0.226
document_1326 445.7460 445.7460 None 0.719 0.062
document_3683 640.3200 640.3200 None 0.705 0.412
document_2350 514.2860 514.2860 None 0.690 0.418
document_2915 568.2950 568.2950 None 0.669 0.414
document_198 408.2210 408.2210 None 0.623 0.414
document_2745 555.2920 555.2920 None 0.616 0.054
document_2671 549.1900 549.1900 None 0.612 0.697
document_687 424.7620 424.7620 None 0.561 0.020
document_2674 549.1850 549.1850 None 0.518 0.277
document_2675 549.1860 549.1860 None 0.505 0.284
document_1521 460.2750 460.2750 None 0.491 0.417
document_4586 709.2370 709.2370 None 0.483 0.283
document_2677 549.1950 549.1950 None 0.480 0.283
document_3005 579.1960 579.1960 None 0.474 0.284
document_5564 819.3300 819.3300 None 0.471 0.283
document_2676 549.1860 549.1860 None 0.468 0.269
document_2214 505.1610 505.1610 None 0.444 0.206
document_4397 702.4680 702.4680 None 0.352 0.024
document_5780 924.4830 924.4830 None 0.346 0.283
document_5723 884.4550 884.4550 None 0.337 0.283
document_2575 537.4890 537.4890 None 0.269 0.416
document_2333 513.2140 513.2140 None 0.251 0.414
document_1194 441.1730 441.1730 None 0.135 0.410
document_1820 481.3400 481.3400 None 0.130 0.410
document_1960 491.1450 491.1450 None 0.119 0.270
document_142 404.1360 404.1360 None 0.098 0.416
document_1108 435.2120 435.2120 None 0.096 0.427
document_230 410.3630 410.3630 None 0.086 0.410
document_3498 629.9460 629.9460 None 0.080 0.410
document_2090 498.8970 498.8970 None 0.074 0.413
document_1687 471.2790 471.2790 None 0.071 0.410
document_2704 551.3450 551.3450 None 0.070 0.413
document_4066 680.2680 680.2680 None 0.066 0.410
document_2618 542.8870 542.8870 None 0.065 0.410
document_1383 451.2100 451.2100 None 0.060 0.413
document_3233 601.2440 601.2440 None 0.059 0.410
document_4659 715.5180 715.5180 None 0.059 0.414
document_3720 645.2410 645.2410 None 0.056 0.410
document_2899 566.8910 566.8910 None 0.054 0.206
document_632 421.2330 421.2330 None 0.053 0.410
document_2301 512.3420 512.3420 None 0.051 0.410

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.