Mass2Motif: motif_287

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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 0.9667087027269791. 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_172.1500 0.289
fragment_109.1500 0.173
fragment_59.9500 0.105
fragment_57.0500 0.076
fragment_121.1500 0.070
fragment_211.9500 0.053
loss_182.2500 0.022
fragment_128.1500 0.020
fragment_292.0500 0.017
fragment_213.9500 0.012
fragment_81.0500 0.011
fragment_173.1500 0.010
fragment_222.7500 0.008
loss_186.6500 0.008
fragment_270.0500 0.006
fragment_471.1500 0.005
fragment_469.1500 0.004
fragment_268.0500 0.004
fragment_58.0500 0.004
loss_58.0500 0.004
fragment_74.0500 0.004
fragment_294.0500 0.003
fragment_190.0500 0.003
fragment_250.8500 0.003
fragment_207.2500 0.003
fragment_189.1500 0.003
fragment_89.9500 0.003
fragment_161.1500 0.003
fragment_165.0500 0.002
fragment_339.0500 0.002
fragment_83.1500 0.002
fragment_309.0500 0.002
fragment_352.0500 0.002
fragment_515.1500 0.002
fragment_465.1500 0.002
fragment_446.0500 0.002
loss_91.4500 0.002
fragment_349.1500 0.002
fragment_212.9500 0.002
fragment_199.9500 0.002
fragment_205.7500 0.002
fragment_175.0500 0.001
fragment_168.7500 0.001
fragment_315.1500 0.001
fragment_174.1500 0.001
fragment_323.0500 0.001
fragment_278.1500 0.001
fragment_333.8500 0.001
fragment_238.8500 0.001
fragment_233.0500 0.001
fragment_381.2500 0.001
loss_156.2500 0.001

Counts of Classyfire Substituent terms

Term name Count in motif Percentage in motif Percentage in experiment Absolute difference
Hydrocarbon derivative 63 100 100 0
Organooxygen compound 55 87.3 95.3 8.0
Organic nitrogen compound 39 61.9 55.6 6.3
Organopnictogen compound 37 58.7 45.2 13.5
Organonitrogen compound 33 52.4 54.1 1.7
Carbonyl group 29 46.0 44.0 2.0
Aliphatic acyclic compound 12 19.0 2.9 16.1
Azacycle 6 9.5 22.6 13.1
Alcohol 5 7.9 14.7 6.7
Secondary alcohol 2 3.2 7.7 4.5
Benzenoid 2 3.2 18.3 15.2
Heteroaromatic compound 2 3.2 5.8 2.6
Aromatic heteropolycyclic compound 2 3.2 9.6 6.5
Amine 2 3.2 4.4 1.2
Carboxamide group 2 3.2 5.5 2.3
Organoheterocyclic compound 2 3.2 13.3 10.1
Oxacycle 2 3.2 7.9 4.7
Primary alcohol 1 1.6 0.9 0.7
Oxane 1 1.6 1.9 0.3
Polyol 1 1.6 1.6 0.0
Acetal 1 1.6 1.5 0.1

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_2488 529.1810 529.1810 None 0.718 0.430
document_1685 471.1050 471.1050 None 0.688 0.515
document_368 413.2700 413.2700 None 0.599 0.380
document_373 413.3020 413.3020 None 0.590 0.577
document_372 413.2950 413.2950 None 0.581 0.453
document_222 409.3820 409.3820 None 0.578 0.270
document_359 413.2860 413.2860 None 0.569 0.581
document_290 415.0340 415.0340 None 0.554 0.583
document_1451 458.9370 458.9370 None 0.532 0.505
document_2570 537.4880 537.4880 None 0.487 0.272
document_377 415.0400 415.0400 None 0.485 0.472
document_4840 720.5540 720.5540 None 0.474 0.260
document_358 413.2810 413.2810 None 0.470 0.585
document_3034 583.1090 583.1090 None 0.470 0.021
document_1638 467.3860 467.3860 None 0.416 0.471
document_300 414.1340 414.1340 None 0.392 0.566
document_378 415.0420 415.0420 None 0.359 0.536
document_334 414.7880 414.7880 None 0.327 0.510
document_383 415.0420 415.0420 None 0.297 0.191
document_379 415.0420 415.0420 None 0.294 0.533
document_328 413.2540 413.2540 None 0.264 0.381
document_381 415.0420 415.0420 None 0.243 0.181
document_4280 690.5070 690.5070 None 0.231 0.157
document_4837 720.5530 720.5530 None 0.230 0.175
document_367 413.2700 413.2700 None 0.220 0.421
document_366 413.2850 413.2850 None 0.219 0.430
document_365 413.2700 413.2700 None 0.218 0.342
document_380 415.0420 415.0420 None 0.198 0.185
document_369 413.2810 413.2810 None 0.180 0.331
document_384 415.0420 415.0420 None 0.176 0.181
document_382 415.0420 415.0420 None 0.168 0.181
document_3290 608.2930 608.2930 None 0.162 0.097
document_5663 845.5230 845.5230 None 0.151 0.173
document_1362 449.3240 449.3240 None 0.149 0.081
document_2575 537.4890 537.4890 None 0.148 0.259
document_2568 537.4880 537.4880 None 0.147 0.262
document_1395 452.4250 452.4250 None 0.145 0.173
document_2713 551.5040 551.5040 None 0.145 0.259
document_221 409.3820 409.3820 None 0.142 0.257
document_4656 715.3440 715.3440 None 0.120 0.384
document_2278 507.4930 507.4930 None 0.114 0.146
document_4826 718.5370 718.5370 None 0.114 0.183
document_4560 707.1680 707.1680 None 0.112 0.474
document_3966 675.6720 675.6720 None 0.106 0.157
document_3800 655.0350 655.0350 None 0.094 0.248
document_3613 638.2600 638.2600 None 0.091 0.074
document_3987 678.4240 678.4240 None 0.076 0.173
document_684 424.2440 424.2440 None 0.072 0.172
document_2328 512.4430 512.4430 None 0.068 0.365
document_1612 466.2400 466.2400 None 0.067 0.289
document_5904 1109.5770 1109.5770 None 0.065 0.289
document_61 401.2480 401.2480 None 0.065 0.289
document_329 413.2780 413.2780 None 0.065 0.385
document_131 403.2820 403.2820 None 0.064 0.289
document_5583 819.5000 819.5000 None 0.062 0.183
document_5215 744.5480 744.5480 None 0.062 0.172
document_5794 941.5080 941.5080 None 0.058 0.172
document_4071 680.4260 680.4260 None 0.058 0.172
document_5795 941.5070 941.5070 None 0.054 0.070
document_4345 694.5010 694.5010 None 0.053 0.243
document_2834 565.1300 565.1300 None 0.053 0.365
document_3350 613.2480 613.2480 None 0.051 0.297
document_2744 555.2920 555.2920 None 0.051 0.172

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.