Mass2Motif: motif_267

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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 0.9757566385216359. 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_239.0500 0.176
fragment_163.1500 0.097
fragment_439.1500 0.089
fragment_337.0500 0.055
loss_192.0500 0.028
loss_134.0500 0.018
loss_59.0500 0.017
fragment_221.2500 0.017
fragment_339.0500 0.015
fragment_423.1500 0.014
fragment_295.0500 0.014
fragment_422.1500 0.013
fragment_539.2500 0.013
fragment_307.8500 0.012
loss_59.5500 0.012
fragment_645.2500 0.011
fragment_310.0500 0.011
loss_58.5500 0.011
loss_76.0500 0.010
fragment_432.1500 0.010
fragment_421.1500 0.009
fragment_169.5500 0.009
fragment_409.2500 0.009
loss_108.5500 0.008
loss_130.9500 0.008
fragment_599.2500 0.008
fragment_253.0500 0.008
fragment_424.1500 0.008
fragment_741.2500 0.008
fragment_324.1500 0.007
fragment_332.0500 0.007
loss_108.0500 0.007
fragment_448.1500 0.007
fragment_673.1500 0.007
fragment_440.1500 0.007
fragment_516.1500 0.006
fragment_376.0500 0.006
fragment_704.1500 0.006
loss_113.1500 0.006
fragment_683.2500 0.006
fragment_180.1500 0.006
fragment_357.0500 0.005
fragment_240.0500 0.005
loss_115.9500 0.005
fragment_297.2500 0.005
fragment_438.1500 0.004
fragment_898.4500 0.004
fragment_301.0500 0.004
loss_178.0500 0.004
fragment_278.0500 0.004
fragment_393.1500 0.004
fragment_445.0500 0.004
fragment_540.2500 0.004
fragment_109.9500 0.004
fragment_296.0500 0.004
fragment_392.1500 0.004
fragment_390.1500 0.003
fragment_333.0500 0.003
fragment_305.0500 0.003
fragment_181.0500 0.003
fragment_686.2500 0.003
loss_112.0500 0.003
fragment_425.1500 0.003
fragment_96.9500 0.003
fragment_734.3500 0.003
loss_82.9500 0.003
fragment_248.0500 0.003
fragment_558.2500 0.003
fragment_158.6500 0.003
fragment_522.2500 0.003
fragment_562.2500 0.003
fragment_83.7500 0.003
fragment_349.1500 0.003
fragment_176.1500 0.003
fragment_486.1500 0.003
loss_148.1500 0.003
loss_64.0500 0.002
fragment_570.2500 0.002
loss_189.1500 0.002
fragment_955.9500 0.002
fragment_251.0500 0.002
fragment_80.0500 0.002
fragment_341.0500 0.002
fragment_290.1500 0.002
fragment_371.1500 0.002
fragment_570.3500 0.002
fragment_537.3500 0.002
fragment_305.1500 0.002
fragment_535.5500 0.002
loss_103.7500 0.002
fragment_110.9500 0.002
fragment_590.8500 0.002
loss_101.9500 0.002
fragment_581.2500 0.002
fragment_363.2500 0.002
fragment_323.0500 0.002
loss_168.0500 0.002
fragment_250.5500 0.002
loss_72.0500 0.002
fragment_787.4500 0.002
fragment_466.1500 0.002
loss_190.9500 0.002
fragment_954.1500 0.002
fragment_195.2500 0.001
fragment_242.0500 0.001
fragment_726.7500 0.001
loss_18.8500 0.001

Counts of Classyfire Substituent terms

Term name Count in motif Percentage in motif Percentage in experiment Absolute difference
Hydrocarbon derivative 33 100 100 0
Organooxygen compound 32 97.0 95.3 1.6
Organic nitrogen compound 15 45.5 55.6 10.2
Carbonyl group 15 45.5 44.0 1.4
Organonitrogen compound 13 39.4 54.1 14.7
Organopnictogen compound 11 33.3 45.2 11.9
Benzenoid 8 24.2 18.3 5.9
Organoheterocyclic compound 6 18.2 13.3 4.9
Oxacycle 5 15.2 7.9 7.2
Heteroaromatic compound 4 12.1 5.8 6.4
Azacycle 4 12.1 22.6 10.5
Aromatic heteropolycyclic compound 3 9.1 9.6 0.6
Carboxamide group 3 9.1 5.5 3.6
Alcohol 2 6.1 14.7 8.6
1-hydroxy-2-unsubstituted benzenoid 1 3.0 1.3 1.7
Amine 1 3.0 4.4 1.3

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_5911 1145.0740 1145.0740 None 0.941 0.081
document_3629 639.3010 639.3010 None 0.925 0.334
document_3628 639.3010 639.3010 None 0.831 0.337
document_5562 817.2720 817.2720 None 0.830 0.199
document_3627 639.3010 639.3010 None 0.828 0.334
document_3626 639.2990 639.2990 None 0.779 0.334
document_3771 651.1810 651.1810 None 0.723 0.072
document_3536 634.2650 634.2650 None 0.562 0.194
document_324 413.2300 413.2300 None 0.506 0.155
document_2173 500.2330 500.2330 None 0.393 0.090
document_1168 440.9920 440.9920 None 0.252 0.224
document_760 429.1730 429.1730 None 0.242 0.204
document_2526 533.1420 533.1420 None 0.233 0.176
document_1392 452.3180 452.3180 None 0.194 0.115
document_761 429.1720 429.1720 None 0.192 0.180
document_3927 671.2890 671.2890 None 0.182 0.153
document_3759 649.3090 649.3090 None 0.173 0.111
document_2653 546.3990 546.3990 None 0.136 0.097
document_3217 599.3060 599.3060 None 0.132 0.302
document_224 410.1880 410.1880 None 0.108 0.176
document_3350 613.2480 613.2480 None 0.102 0.057
document_3232 601.2420 601.2420 None 0.093 0.176
document_3233 601.2440 601.2440 None 0.087 0.176
document_5281 757.2830 757.2830 None 0.083 0.081
document_459 420.3370 420.3370 None 0.081 0.176
document_2907 568.2380 568.2380 None 0.077 0.133
document_3229 600.7780 600.7780 None 0.069 0.026
document_2933 570.3630 570.3630 None 0.069 0.097
document_5540 810.5560 810.5560 None 0.069 0.097
document_2360 516.1410 516.1410 None 0.060 0.055
document_681 423.7050 423.7050 None 0.056 0.097
document_1099 435.2170 435.2170 None 0.053 0.194
document_5531 807.4210 807.4210 None 0.051 0.179

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.