Mass2Motif: motif_73

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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 0.9713633335774453. 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_193.1500 0.325
fragment_265.1500 0.101
fragment_337.2500 0.058
fragment_295.1500 0.043
fragment_223.1500 0.040
fragment_254.2500 0.034
fragment_96.0500 0.030
fragment_194.1500 0.028
fragment_497.3500 0.024
loss_146.1500 0.024
fragment_179.1500 0.022
fragment_338.2500 0.016
loss_176.1500 0.015
fragment_219.2500 0.014
fragment_224.1500 0.011
fragment_237.2500 0.011
loss_190.1500 0.009
fragment_425.3500 0.009
fragment_266.1500 0.009
fragment_296.1500 0.009
fragment_59.9500 0.008
fragment_498.3500 0.007
fragment_455.3500 0.007
fragment_179.0500 0.007
loss_145.1500 0.007
fragment_296.2500 0.005
loss_190.0500 0.005
fragment_353.2500 0.005
fragment_255.2500 0.005
fragment_222.1500 0.004
fragment_166.1500 0.004
fragment_257.8500 0.004
loss_185.4500 0.004
fragment_78.0500 0.004
fragment_82.0500 0.004
fragment_209.1500 0.004
loss_175.1500 0.003
loss_189.1500 0.003
fragment_409.2500 0.003
loss_148.2500 0.003
fragment_312.2500 0.003
loss_64.0500 0.003
fragment_184.1500 0.003
loss_160.0500 0.003
fragment_587.7500 0.002
loss_152.1500 0.002
fragment_426.3500 0.002
loss_70.0500 0.002
fragment_56.0500 0.002
fragment_57.0500 0.002
fragment_83.8500 0.002
fragment_227.8500 0.002
fragment_262.2500 0.002
loss_189.0500 0.002
loss_144.1500 0.002
fragment_69.0500 0.002
fragment_323.0500 0.002
fragment_61.9500 0.001
fragment_238.2500 0.001
fragment_385.2500 0.001
fragment_499.3500 0.001
loss_132.1500 0.001

Counts of Classyfire Substituent terms

Term name Count in motif Percentage in motif Percentage in experiment Absolute difference
Hydrocarbon derivative 82 100 100 0
Organooxygen compound 75 91.5 95.3 3.9
Organic nitrogen compound 37 45.1 55.6 10.5
Aromatic heteropolycyclic compound 31 37.8 9.6 28.2
Benzenoid 29 35.4 18.3 17.0
Organopnictogen compound 27 32.9 45.2 12.3
Organonitrogen compound 27 32.9 54.1 21.2
Carbonyl group 23 28.0 44.0 16.0
Azacycle 18 22.0 22.6 0.7
Heteroaromatic compound 11 13.4 5.8 7.7
Organoheterocyclic compound 5 6.1 13.3 7.2
Oxacycle 5 6.1 7.9 1.8
Alcohol 2 2.4 14.7 12.2
Amine 1 1.2 4.4 3.1
Oxane 1 1.2 1.9 0.7
Secondary alcohol 1 1.2 7.7 6.5
Polyol 1 1.2 1.6 0.4

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_2259 507.2690 507.2690 None 0.958 0.109
document_3952 673.5220 673.5220 None 0.926 0.585
document_3708 643.5120 643.5120 None 0.911 0.670
document_371 413.2890 413.2890 None 0.817 0.405
document_1439 455.3340 455.3340 None 0.812 0.472
document_2276 507.4890 507.4890 None 0.716 0.069
document_2277 507.4890 507.4890 None 0.712 0.066
document_2805 561.3980 561.3980 None 0.673 0.437
document_1440 455.3340 455.3340 None 0.650 0.413
document_2278 507.4930 507.4930 None 0.603 0.072
document_2925 569.4390 569.4390 None 0.598 0.618
document_3242 601.4640 601.4640 None 0.590 0.752
document_369 413.2810 413.2810 None 0.584 0.411
document_3510 631.4770 631.4770 None 0.555 0.734
document_1423 455.2580 455.2580 None 0.523 0.576
document_1281 443.3000 443.3000 None 0.516 0.373
document_2474 527.3900 527.3900 None 0.514 0.595
document_329 413.2780 413.2780 None 0.514 0.453
document_3511 631.4760 631.4760 None 0.486 0.637
document_2472 527.3890 527.3890 None 0.405 0.599
document_2783 559.4460 559.4460 None 0.402 0.597
document_3101 589.4270 589.4270 None 0.399 0.680
document_2784 559.4170 559.4170 None 0.398 0.619
document_2637 545.3770 545.3770 None 0.380 0.459
document_366 413.2850 413.2850 None 0.379 0.512
document_370 413.2800 413.2800 None 0.330 0.374
document_1875 485.3450 485.3450 None 0.327 0.414
document_2782 559.4160 559.4160 None 0.304 0.693
document_3100 589.4260 589.4260 None 0.302 0.673
document_2061 497.3800 497.3800 None 0.291 0.534
document_161 405.2700 405.2700 None 0.288 0.532
document_3103 589.4270 589.4270 None 0.285 0.397
document_357 413.2800 413.2800 None 0.282 0.447
document_2514 531.3860 531.3860 None 0.271 0.402
document_2895 566.8880 566.8880 None 0.233 0.527
document_1874 485.3450 485.3450 None 0.217 0.638
document_2868 566.8880 566.8880 None 0.214 0.389
document_3417 619.4370 619.4370 None 0.202 0.583
document_1576 463.2960 463.2960 None 0.188 0.431
document_365 413.2700 413.2700 None 0.167 0.353
document_1594 463.3020 463.3020 None 0.152 0.520
document_1283 443.3210 443.3210 None 0.146 0.410
document_1419 455.2580 455.2580 None 0.138 0.607
document_2550 535.3290 535.3290 None 0.129 0.510
document_1747 475.3230 475.3230 None 0.124 0.470
document_1270 443.2780 443.2780 None 0.123 0.335
document_2553 535.3370 535.3370 None 0.120 0.384
document_2202 505.3090 505.3090 MLS000563039-01! 0.113 0.455
document_5188 744.4430 744.4430 None 0.110 0.102
document_358 413.2810 413.2810 None 0.107 0.386
document_682 424.1980 424.1980 None 0.106 0.152
document_360 413.2650 413.2650 None 0.106 0.334
document_678 423.2710 423.2710 None 0.102 0.172
document_3181 595.3800 595.3800 None 0.090 0.112
document_1786 478.2520 478.2520 None 0.088 0.076
document_4447 702.8620 702.8620 None 0.088 0.192
document_1282 443.3170 443.3170 None 0.087 0.324
document_1310 443.3340 443.3340 None 0.085 0.428
document_1752 475.3520 475.3520 None 0.084 0.325
document_1963 491.2970 491.2970 None 0.084 0.569
document_2004 495.2690 495.2690 None 0.083 0.066
document_1112 435.2600 435.2600 None 0.081 0.109
document_1224 443.1010 443.1010 None 0.075 0.417
document_5634 838.8360 838.8360 MS_Contaminant_Sodium_Formate_Cluster 0.075 0.055
document_1561 463.2760 463.2760 None 0.073 0.134
document_642 421.2350 421.2350 None 0.072 0.357
document_2803 561.3970 561.3970 None 0.066 0.484
document_1394 452.4250 452.4250 None 0.066 0.359
document_1880 485.3760 485.3760 None 0.065 0.378
document_300 414.1340 414.1340 None 0.065 0.402
document_5112 740.4100 740.4100 None 0.062 0.100
document_715 426.2600 426.2600 None 0.062 0.043
document_2431 524.1530 524.1530 None 0.058 0.337
document_3978 677.4700 677.4700 None 0.057 0.052
document_1719 473.2380 473.2380 None 0.057 0.010
document_2184 501.3660 501.3660 None 0.057 0.070
document_4549 705.3990 705.3990 None 0.056 0.323
document_1390 452.2740 452.2740 None 0.055 0.341
document_4150 686.3930 686.3930 None 0.054 0.357
document_158 405.2440 405.2440 None 0.053 0.366
document_1877 485.3760 485.3760 None 0.051 0.353
document_4084 681.5010 681.5010 None 0.050 0.357

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.