Mass2Motif: motif_92

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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 0.944965875549413. 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_113.0500 0.274
fragment_369.2500 0.101
fragment_284.1500 0.094
fragment_256.1500 0.064
fragment_397.2500 0.056
fragment_474.2500 0.054
loss_112.0500 0.035
loss_188.1500 0.021
loss_190.0500 0.019
fragment_475.2500 0.018
fragment_401.1500 0.014
fragment_723.4500 0.014
loss_176.0500 0.012
fragment_399.1500 0.011
fragment_373.2500 0.011
fragment_370.2500 0.010
fragment_454.2500 0.008
fragment_189.1500 0.008
fragment_304.1500 0.008
fragment_512.2500 0.007
fragment_392.2500 0.006
fragment_308.1500 0.006
fragment_199.1500 0.006
fragment_398.2500 0.006
loss_175.0500 0.006
fragment_200.1500 0.006
loss_75.0500 0.006
fragment_724.4500 0.005
fragment_285.1500 0.004
loss_93.0500 0.004
fragment_806.4500 0.004
loss_187.0500 0.004
loss_189.0500 0.003
fragment_309.1500 0.003
loss_194.0500 0.003
fragment_807.4500 0.003
loss_57.5500 0.003
fragment_705.4500 0.003
fragment_185.0500 0.002
fragment_172.0500 0.002
fragment_529.7500 0.002
fragment_374.2500 0.002
loss_186.1500 0.002
fragment_400.2500 0.002
fragment_190.1500 0.002
fragment_455.2500 0.002
fragment_400.1500 0.002
fragment_403.9500 0.002
loss_183.3500 0.002
fragment_188.1500 0.002
fragment_94.0500 0.001
fragment_626.5500 0.001

Counts of Classyfire Substituent terms

Term name Count in motif Percentage in motif Percentage in experiment Absolute difference
Hydrocarbon derivative 61 100 100 0
Organooxygen compound 60 98.4 95.3 3.0
Organic nitrogen compound 50 82.0 55.6 26.3
Organonitrogen compound 50 82.0 54.1 27.9
Carbonyl group 48 78.7 44.0 34.7
Organopnictogen compound 42 68.9 45.2 23.6
Azacycle 34 55.7 22.6 33.1
Carboxamide group 19 31.1 5.5 25.7
Alcohol 16 26.2 14.7 11.6
Organoheterocyclic compound 16 26.2 13.3 12.9
Benzenoid 11 18.0 18.3 0.3
Secondary alcohol 7 11.5 7.7 3.8
Aromatic heteropolycyclic compound 5 8.2 9.6 1.4
Oxacycle 4 6.6 7.9 1.4
Amine 4 6.6 4.4 2.2
1-hydroxy-2-unsubstituted benzenoid 2 3.3 1.3 2.0
Polyol 1 1.6 1.6 0.1
Glycosyl compound 1 1.6 0.7 0.9
Phenol 1 1.6 0.5 1.2
Heteroaromatic compound 1 1.6 5.8 4.1
1-hydroxy-4-unsubstituted benzenoid 1 1.6 0.2 1.4
Carboxylic acid ester 1 1.6 1.8 0.2

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_3078 587.3030 587.3030 None 0.791 0.812
document_3081 587.3070 587.3070 None 0.752 0.594
document_5742 899.5180 899.5180 None 0.748 0.054
document_3691 641.3330 641.3330 None 0.741 0.507
document_3714 644.3300 644.3300 None 0.685 0.280
document_3084 587.3040 587.3040 None 0.678 0.357
document_3713 644.3270 644.3270 None 0.557 0.209
document_1891 486.2920 486.2920 None 0.513 0.668
document_2206 504.2790 504.2790 None 0.478 0.327
document_3500 630.3070 630.3070 None 0.422 0.069
document_2773 557.3570 557.3570 None 0.321 0.216
document_2625 544.2380 544.2380 None 0.292 0.309
document_389 415.2590 415.2590 None 0.290 0.347
document_1077 435.1860 435.1860 None 0.275 0.336
document_3861 663.3110 663.3110 None 0.255 0.309
document_1699 472.2760 472.2760 None 0.248 0.445
document_2379 518.2600 518.2600 None 0.227 0.311
document_3080 587.3010 587.3010 None 0.220 0.167
document_2479 530.1900 530.1900 None 0.210 0.350
document_2774 557.3280 557.3280 None 0.208 0.177
document_4649 713.4900 713.4900 None 0.205 0.102
document_4650 713.4930 713.4930 None 0.162 0.107
document_3889 665.5900 665.5900 None 0.160 0.101
document_4842 721.3180 721.3180 None 0.156 0.309
document_3094 588.3750 588.3750 None 0.151 0.292
document_2220 505.2970 505.2970 None 0.133 0.315
document_5810 954.6320 954.6320 None 0.129 0.363
document_5428 777.3420 777.3420 None 0.121 0.319
document_24 401.1330 401.1330 None 0.119 0.309
document_1871 485.2900 485.2900 None 0.111 0.066
document_3197 597.2880 597.2880 None 0.108 0.403
document_2775 557.3650 557.3650 None 0.105 0.401
document_395 415.2570 415.2570 None 0.105 0.280
document_3811 657.2930 657.2930 None 0.104 0.309
document_396 415.2580 415.2580 None 0.103 0.280
document_1314 444.5970 444.5970 None 0.102 0.171
document_3061 585.2900 585.2900 None 0.102 0.337
document_2478 528.3040 528.3040 None 0.102 0.326
document_5811 954.6330 954.6330 None 0.100 0.330
document_3956 674.8630 674.8630 None 0.098 0.354
document_3796 654.6110 654.6110 None 0.096 0.101
document_97 402.1960 402.1960 None 0.095 0.170
document_2018 496.2630 496.2630 None 0.089 0.081
document_3412 619.3140 619.3140 None 0.088 0.174
document_3893 666.8650 666.8650 None 0.086 0.561
document_4087 682.3740 682.3740 None 0.083 0.276
document_129 403.2540 403.2540 None 0.083 0.303
document_3050 584.3650 584.3650 None 0.082 0.323
document_394 415.2570 415.2570 None 0.081 0.284
document_1164 439.2910 439.2910 None 0.081 0.309
document_3028 582.2780 582.2780 None 0.079 0.273
document_1228 441.3080 441.3080 None 0.079 0.274
document_1950 490.2730 490.2730 None 0.069 0.074
document_1572 463.2790 463.2790 None 0.065 0.056
document_5368 770.1030 770.1030 None 0.062 0.058
document_5889 1077.5140 1077.5140 None 0.061 0.341
document_3767 650.3010 650.3010 None 0.059 0.274
document_2903 567.2770 567.2770 None 0.058 0.391
document_3336 613.7280 613.7280 None 0.054 0.101
document_2060 497.3590 497.3590 None 0.052 0.064
document_3013 580.2980 580.2980 None 0.050 0.155

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.