Mass2Motif: motif_295

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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 0.9637225989294992. 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_325.1500 0.326
fragment_495.4500 0.099
fragment_496.4500 0.054
fragment_383.0500 0.021
fragment_660.2500 0.020
fragment_495.3500 0.020
loss_140.7500 0.020
loss_116.0500 0.019
fragment_326.1500 0.018
fragment_411.0500 0.016
fragment_108.9500 0.014
fragment_618.4500 0.014
fragment_562.1500 0.013
loss_141.3500 0.012
fragment_279.8500 0.012
loss_140.0500 0.010
fragment_497.4500 0.010
fragment_266.1500 0.010
loss_76.0500 0.010
fragment_258.9500 0.010
loss_58.0500 0.009
fragment_208.1500 0.009
fragment_620.2500 0.009
fragment_607.2500 0.009
loss_119.7500 0.009
loss_74.0500 0.008
fragment_253.0500 0.006
fragment_324.1500 0.006
fragment_262.1500 0.006
loss_120.1500 0.006
loss_168.7500 0.006
fragment_393.1500 0.005
fragment_320.9500 0.005
fragment_81.1500 0.005
fragment_359.0500 0.005
fragment_880.4500 0.005
fragment_384.0500 0.005
fragment_260.2500 0.004
fragment_239.2500 0.004
fragment_85.0500 0.004
fragment_209.1500 0.004
fragment_176.9500 0.003
fragment_327.1500 0.003
fragment_241.1500 0.003
fragment_113.2500 0.003
loss_87.0500 0.003
fragment_401.1500 0.003
fragment_249.1500 0.003
fragment_380.1500 0.003
fragment_496.3500 0.003
fragment_307.1500 0.003
loss_139.7500 0.003
loss_31.7500 0.003
fragment_604.7500 0.003
fragment_354.2500 0.003
fragment_248.8500 0.003
loss_180.1500 0.002
fragment_143.0500 0.002
loss_45.0500 0.002
loss_81.4500 0.002
fragment_387.7500 0.002
fragment_394.1500 0.002
loss_134.0500 0.002
fragment_497.5500 0.002
fragment_310.2500 0.002
loss_75.0500 0.002
fragment_245.0500 0.002
fragment_435.0500 0.002
fragment_517.2500 0.002
fragment_122.1500 0.002
fragment_573.6500 0.002
loss_62.7500 0.002
fragment_602.2500 0.002
fragment_362.1500 0.002
fragment_438.3500 0.002
fragment_616.2500 0.002
fragment_305.1500 0.002
fragment_498.4500 0.002
loss_67.0500 0.002
fragment_224.1500 0.002
fragment_183.1500 0.002
fragment_547.2500 0.001
loss_154.0500 0.001
fragment_513.3500 0.001
fragment_145.0500 0.001
fragment_95.0500 0.001
fragment_363.5500 0.001
fragment_617.3500 0.001
fragment_497.3500 0.001
loss_155.4500 0.001
fragment_511.8500 0.001
fragment_250.1500 0.001
loss_113.8500 0.001

Counts of Classyfire Substituent terms

Term name Count in motif Percentage in motif Percentage in experiment Absolute difference
Hydrocarbon derivative 39 100 100 0
Organooxygen compound 38 97.4 95.3 2.1
Alcohol 13 33.3 14.7 18.7
Carbonyl group 12 30.8 44.0 13.3
Organic nitrogen compound 10 25.6 55.6 30.0
Organoheterocyclic compound 9 23.1 13.3 9.8
Benzenoid 9 23.1 18.3 4.7
Oxacycle 8 20.5 7.9 12.6
Organopnictogen compound 7 17.9 45.2 27.3
Organonitrogen compound 7 17.9 54.1 36.2
Secondary alcohol 7 17.9 7.7 10.2
Aromatic heteropolycyclic compound 6 15.4 9.6 5.7
Oxane 4 10.3 1.9 8.4
Acetal 2 5.1 1.5 3.7
Azacycle 2 5.1 22.6 17.5
O-glycosyl compound 1 2.6 1.2 1.4
Polyol 1 2.6 1.6 1.0
Glycosyl compound 1 2.6 0.7 1.8
Carboxylic acid ester 1 2.6 1.8 0.8
1-hydroxy-2-unsubstituted benzenoid 1 2.6 1.3 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_3475 627.3290 627.3290 None 0.894 0.349
document_3474 627.3260 627.3260 None 0.844 0.347
document_3986 678.2510 678.2510 None 0.692 0.117
document_1663 469.1700 469.1700 None 0.636 0.384
document_3596 636.4180 636.4180 None 0.585 0.146
document_3594 636.4180 636.4180 None 0.576 0.135
document_3598 636.4180 636.4180 None 0.529 0.180
document_3595 636.4180 636.4180 None 0.481 0.190
document_3597 636.4190 636.4190 None 0.455 0.192
document_757 429.0600 429.0600 None 0.434 0.081
document_3649 639.3280 639.3280 None 0.397 0.347
document_550 421.2310 421.2310 None 0.333 0.048
document_2702 551.8160 551.8160 None 0.326 0.347
document_3898 667.3230 667.3230 None 0.324 0.353
document_4908 727.4010 727.4010 None 0.255 0.371
document_2020 496.2850 496.2850 None 0.228 0.344
document_3221 600.2340 600.2340 None 0.148 0.344
document_4159 687.3460 687.3460 None 0.146 0.344
document_3914 669.3380 669.3380 None 0.108 0.335
document_3769 650.4200 650.4200 None 0.094 0.326
document_1661 469.1690 469.1690 None 0.093 0.332
document_1960 491.1450 491.1450 None 0.089 0.348
document_3899 667.3240 667.3240 None 0.086 0.343
document_3896 667.3200 667.3200 None 0.081 0.332
document_2512 531.3850 531.3850 None 0.079 0.326
document_5321 762.4350 762.4350 None 0.078 0.104
document_2547 535.3080 535.3080 None 0.075 0.350
document_817 429.2430 429.2430 None 0.071 0.324
document_1469 457.3110 457.3110 None 0.070 0.019
document_3080 587.3010 587.3010 None 0.068 0.328
document_1413 456.2160 456.2160 None 0.068 0.325
document_3566 634.8750 634.8750 None 0.061 0.326
document_3823 658.3930 658.3930 None 0.061 0.156
document_2744 555.2920 555.2920 None 0.060 0.327
document_932 430.9110 430.9110 None 0.055 0.011
document_350 414.8200 414.8200 None 0.054 0.348
document_3563 634.8750 634.8750 None 0.052 0.099
document_2221 505.3460 505.3460 None 0.052 0.328
document_3169 595.2860 595.2860 None 0.051 0.326

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.