Mass2Motif: motif_212

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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 0.9741447047559668. 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_100.0500 0.515
fragment_83.0500 0.129
fragment_55.0500 0.098
fragment_183.0500 0.029
fragment_101.0500 0.020
loss_99.1500 0.014
fragment_401.0500 0.013
loss_161.0500 0.012
fragment_299.0500 0.012
loss_117.0500 0.012
fragment_339.1500 0.011
fragment_383.0500 0.009
fragment_318.0500 0.005
loss_143.0500 0.005
loss_125.2500 0.004
loss_183.2500 0.004
loss_189.0500 0.004
fragment_881.0500 0.004
loss_127.0500 0.004
loss_84.0500 0.004
fragment_311.0500 0.004
fragment_416.1500 0.004
fragment_452.2500 0.003
loss_182.3500 0.003
fragment_230.1500 0.003
fragment_779.5500 0.003
fragment_305.0500 0.003
fragment_299.3500 0.003
fragment_90.0500 0.003
loss_43.6500 0.003
fragment_639.7500 0.003
fragment_709.4500 0.003
loss_134.0500 0.003
fragment_142.9500 0.002
fragment_263.0500 0.002
fragment_226.8500 0.002
fragment_905.0500 0.002
fragment_420.2500 0.002
fragment_231.1500 0.002
fragment_72.9500 0.002
fragment_539.8500 0.002
loss_143.5500 0.002
fragment_175.0500 0.002
fragment_357.1500 0.002
fragment_200.0500 0.002
fragment_169.0500 0.001
fragment_199.0500 0.001

Counts of Classyfire Substituent terms

Term name Count in motif Percentage in motif Percentage in experiment Absolute difference
Hydrocarbon derivative 65 100 100 0
Organooxygen compound 59 90.8 95.3 4.6
Organic nitrogen compound 45 69.2 55.6 13.6
Organonitrogen compound 44 67.7 54.1 13.6
Carbonyl group 42 64.6 44.0 20.6
Organopnictogen compound 41 63.1 45.2 17.8
Amine 6 9.2 4.4 4.9
Aliphatic acyclic compound 5 7.7 2.9 4.8
Azacycle 4 6.2 22.6 16.5
Carboxamide group 4 6.2 5.5 0.7
Alcohol 2 3.1 14.7 11.6
Organoheterocyclic compound 2 3.1 13.3 10.2
Carboxylic acid ester 1 1.5 1.8 0.3
Benzenoid 1 1.5 18.3 16.8
Aromatic heteropolycyclic compound 1 1.5 9.6 8.1

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_5477 792.1270 792.1270 None 0.967 0.762
document_2172 500.1920 500.1920 None 0.907 0.127
document_1680 470.2570 470.2570 None 0.877 0.763
document_3046 584.1690 584.1690 None 0.862 0.762
document_703 425.8320 425.8320 None 0.836 0.761
document_691 426.0030 426.0030 None 0.795 0.745
document_2070 498.2660 498.2660 None 0.778 0.779
document_243 412.1670 412.1670 None 0.771 0.765
document_244 412.5410 412.5410 None 0.675 0.748
document_2075 498.2670 498.2670 None 0.647 0.778
document_1348 448.1760 448.1760 None 0.628 0.772
document_2069 498.2660 498.2660 None 0.578 0.754
document_2077 498.2670 498.2670 None 0.482 0.633
document_2074 498.2660 498.2660 None 0.353 0.743
document_2072 498.2660 498.2660 None 0.343 0.643
document_4129 683.4390 683.4390 None 0.318 0.182
document_1302 443.3310 443.3310 None 0.306 0.171
document_2071 498.2660 498.2660 None 0.286 0.249
document_3488 629.2160 629.2160 None 0.274 0.518
document_1318 444.9200 444.9200 None 0.254 0.516
document_2908 568.2610 568.2610 None 0.235 0.544
document_671 423.1190 423.1190 None 0.222 0.643
document_2073 498.8660 498.8660 None 0.220 0.763
document_2019 496.2760 496.2760 None 0.174 0.566
document_437 418.2650 418.2650 None 0.168 0.513
document_2232 506.5290 506.5290 None 0.165 0.643
document_156 405.1970 405.1970 None 0.164 0.544
document_5751 902.4790 902.4790 None 0.162 0.535
document_713 426.2220 426.2220 None 0.154 0.515
document_2384 518.3140 518.3140 None 0.154 0.517
document_1992 494.5260 494.5260 None 0.147 0.645
document_198 408.2210 408.2210 None 0.145 0.623
document_2915 568.2950 568.2950 None 0.143 0.740
document_1024 431.2940 431.2940 None 0.139 0.537
document_2336 513.2940 513.2940 None 0.137 0.522
document_2334 513.2570 513.2570 None 0.134 0.526
document_3027 582.2130 582.2130 None 0.129 0.647
document_2343 513.2970 513.2970 None 0.117 0.530
document_3029 582.3260 582.3260 None 0.116 0.632
document_1350 448.2400 448.2400 None 0.111 0.515
document_2447 526.1720 526.1720 None 0.106 0.515
document_2912 568.2950 568.2950 None 0.103 0.610
document_614 421.2330 421.2330 None 0.097 0.519
document_3028 582.2780 582.2780 None 0.094 0.564
document_4365 697.4840 697.4840 None 0.094 0.129
document_2383 518.3140 518.3140 None 0.092 0.528
document_3682 640.3180 640.3180 None 0.088 0.632
document_3197 597.2880 597.2880 None 0.087 0.543
document_2909 568.2970 568.2970 None 0.084 0.631
document_1479 458.5950 458.5950 None 0.080 0.612
document_1890 486.2840 486.2840 None 0.080 0.515
document_2362 516.7300 516.7300 None 0.080 0.515
document_2911 568.2930 568.2930 None 0.079 0.511
document_2309 511.2800 511.2800 None 0.078 0.624
document_237 411.2570 411.2570 None 0.077 0.515
document_2703 551.2680 551.2680 None 0.076 0.531
document_2917 568.2960 568.2960 None 0.067 0.515
document_3537 634.3070 634.3070 None 0.065 0.613
document_2916 568.2950 568.2950 None 0.064 0.532
document_3 401.0290 401.0290 None 0.063 0.515
document_2694 551.2700 551.2700 None 0.062 0.541
document_167 407.9600 407.9600 None 0.061 0.516
document_1434 456.2280 456.2280 None 0.058 0.612
document_2277 507.4890 507.4890 None 0.058 0.515
document_2919 568.2960 568.2960 None 0.056 0.517

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.