Mass2Motif: motif_80

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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 0.9253048936134682. 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_171.1500 0.554
fragment_143.1500 0.075
fragment_72.0500 0.031
fragment_498.1500 0.028
fragment_399.0500 0.028
loss_115.1500 0.019
fragment_398.0500 0.013
fragment_364.1500 0.013
fragment_172.1500 0.011
fragment_499.1500 0.009
loss_143.0500 0.007
fragment_373.0500 0.006
fragment_400.0500 0.006
fragment_75.0500 0.005
fragment_55.0500 0.005
fragment_467.2500 0.004
fragment_797.3500 0.004
fragment_101.0500 0.004
fragment_321.0500 0.004
fragment_416.0500 0.004
fragment_126.0500 0.003
fragment_480.1500 0.003
loss_43.8500 0.003
fragment_395.0500 0.003
loss_149.9500 0.003
fragment_798.3500 0.003
fragment_516.1500 0.002
fragment_525.1500 0.002
fragment_302.7500 0.002
fragment_923.0500 0.002
fragment_278.1500 0.002
fragment_340.9500 0.002
fragment_189.1500 0.002
loss_88.0500 0.002
fragment_376.0500 0.002
fragment_408.0500 0.002
fragment_56.7500 0.002
fragment_401.0500 0.002
loss_146.6500 0.002
loss_83.6500 0.002
fragment_430.6500 0.002
fragment_803.2500 0.002
fragment_470.7500 0.002
loss_43.5500 0.002
loss_37.7500 0.002
fragment_418.0500 0.002
fragment_473.1500 0.002
fragment_296.1500 0.002
fragment_934.8500 0.002
fragment_371.0500 0.002
fragment_381.6500 0.002
loss_132.6500 0.002
fragment_367.6500 0.002
fragment_407.1500 0.001
fragment_412.1500 0.001
fragment_566.4500 0.001
fragment_344.8500 0.001
fragment_273.1500 0.001
fragment_287.1500 0.001
fragment_287.0500 0.001
fragment_372.6500 0.001
loss_141.5500 0.001
loss_114.1500 0.001
fragment_260.6500 0.001
fragment_461.1500 0.001
fragment_675.2500 0.001
fragment_191.7500 0.001
fragment_332.9500 0.001
fragment_159.0500 0.001
loss_82.3500 0.001
fragment_95.1500 0.001
fragment_925.7500 0.001
fragment_878.3500 0.001
loss_150.1500 0.001
loss_191.9500 0.001
fragment_242.9500 0.001

Counts of Classyfire Substituent terms

Term name Count in motif Percentage in motif Percentage in experiment Absolute difference
Hydrocarbon derivative 86 100 100 0
Organooxygen compound 84 97.7 95.3 2.3
Organonitrogen compound 70 81.4 54.1 27.3
Organic nitrogen compound 69 80.2 55.6 24.6
Carbonyl group 68 79.1 44.0 35.0
Organopnictogen compound 58 67.4 45.2 22.2
Azacycle 35 40.7 22.6 18.1
Alcohol 15 17.4 14.7 2.8
Organoheterocyclic compound 8 9.3 13.3 4.0
Benzenoid 8 9.3 18.3 9.0
Carboxamide group 7 8.1 5.5 2.7
Amine 5 5.8 4.4 1.4
Secondary alcohol 3 3.5 7.7 4.2
Aromatic heteropolycyclic compound 3 3.5 9.6 6.2
Carboxylic acid ester 2 2.3 1.8 0.5
Oxacycle 2 2.3 7.9 5.6
Heteroaromatic compound 1 1.2 5.8 4.6

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_5260 753.0790 753.0790 None 0.916 0.036
document_3341 613.2480 613.2480 None 0.888 0.724
document_3355 613.2480 613.2480 None 0.865 0.687
document_3351 613.2470 613.2470 None 0.795 0.646
document_3340 613.2480 613.2480 None 0.777 0.703
document_3345 613.2470 613.2470 None 0.771 0.625
document_3353 613.2480 613.2480 None 0.763 0.661
document_4880 726.2570 726.2570 None 0.739 0.056
document_3344 613.2480 613.2480 None 0.694 0.724
document_3348 613.2480 613.2480 None 0.684 0.626
document_3343 613.2480 613.2480 None 0.676 0.705
document_3346 613.2470 613.2470 None 0.663 0.601
document_3356 613.2480 613.2480 None 0.595 0.585
document_3350 613.2480 613.2480 None 0.584 0.639
document_3352 613.2480 613.2480 None 0.543 0.616
document_3313 610.3240 610.3240 None 0.512 0.033
document_2349 514.2480 514.2480 None 0.475 0.627
document_3338 613.2470 613.2470 None 0.467 0.601
document_3339 613.2480 613.2480 None 0.440 0.618
document_3349 613.2480 613.2480 None 0.397 0.568
document_5649 840.9300 840.9300 None 0.376 0.042
document_3342 613.2470 613.2470 None 0.336 0.587
document_1112 435.2600 435.2600 None 0.312 0.671
document_3360 613.3540 613.3540 None 0.287 0.670
document_3799 654.5060 654.5060 None 0.264 0.554
document_401 415.2860 415.2860 None 0.260 0.673
document_3347 613.2470 613.2470 None 0.255 0.585
document_3204 597.8580 597.8580 None 0.217 0.668
document_1626 466.9740 466.9740 None 0.170 0.554
document_1923 488.2710 488.2710 None 0.168 0.680
document_2777 558.3120 558.3120 None 0.162 0.554
document_3354 613.2480 613.2480 None 0.162 0.558
document_2685 550.2990 550.2990 None 0.159 0.564
document_424 417.7210 417.7210 None 0.154 0.641
document_2366 516.3020 516.3020 None 0.152 0.660
document_2826 564.2680 564.2680 None 0.151 0.629
document_3357 613.3510 613.3510 None 0.136 0.677
document_2085 498.8130 498.8130 None 0.129 0.627
document_838 429.2990 429.2990 None 0.123 0.659
document_2363 516.3100 516.3100 None 0.122 0.585
document_307 413.2160 413.2160 None 0.120 0.659
document_1854 484.4480 484.4480 None 0.118 0.554
document_2084 499.5580 499.5580 None 0.115 0.659
document_171 406.3790 406.3790 None 0.114 0.572
document_1893 487.0680 487.0680 None 0.113 0.659
document_398 415.2820 415.2820 None 0.107 0.554
document_130 403.2550 403.2550 None 0.105 0.663
document_5759 911.5070 911.5070 None 0.103 0.554
document_3929 671.4140 671.4140 None 0.101 0.587
document_2773 557.3570 557.3570 None 0.100 0.558
document_404 416.1650 416.1650 None 0.099 0.658
document_26 401.2820 401.2820 None 0.099 0.659
document_2451 526.8940 526.8940 None 0.096 0.585
document_2189 502.3030 502.3030 None 0.089 0.661
document_275 413.2110 413.2110 None 0.088 0.554
document_2457 526.4570 526.4570 None 0.087 0.586
document_1984 493.3000 493.3000 None 0.087 0.602
document_1338 447.2100 447.2100 None 0.084 0.556
document_3361 613.3540 613.3540 None 0.080 0.585
document_3003 578.3180 578.3180 None 0.079 0.589
document_3302 609.3020 609.3020 None 0.078 0.560
document_2774 557.3280 557.3280 None 0.073 0.585
document_744 428.8720 428.8720 None 0.072 0.586
document_1608 465.2380 465.2380 None 0.072 0.555
document_292 413.2320 413.2320 None 0.071 0.659
document_2456 526.4570 526.4570 None 0.070 0.586
document_3139 592.3330 592.3330 None 0.069 0.585
document_1443 458.6670 458.6670 None 0.067 0.585
document_1015 431.2510 431.2510 None 0.065 0.587
document_1777 477.3050 477.3050 None 0.064 0.554
document_1758 476.5910 476.5910 None 0.063 0.585
document_3065 585.3230 585.3230 None 0.063 0.658
document_615 421.2330 421.2330 None 0.060 0.554
document_1505 459.4010 459.4010 None 0.060 0.597
document_1884 485.3940 485.3940 None 0.059 0.554
document_2330 513.6110 513.6110 None 0.058 0.586
document_1639 467.3860 467.3860 None 0.057 0.558
document_1018 431.2500 431.2500 None 0.057 0.585
document_3472 627.2630 627.2630 None 0.057 0.554
document_80 401.2740 401.2740 None 0.056 0.585
document_28 401.2950 401.2950 None 0.055 0.664
document_463 419.2470 419.2470 None 0.054 0.554
document_3687 640.4900 640.4900 None 0.054 0.554
document_620 421.2320 421.2320 None 0.053 0.554
document_4371 699.2020 699.2020 None 0.052 0.033
document_790 429.1950 429.1950 None 0.050 0.555

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.