Mass2Motif: motif_180

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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 0.9553937921224948. 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_267.1500 0.253
loss_99.0500 0.139
loss_98.0500 0.135
loss_128.1500 0.076
fragment_329.1500 0.070
fragment_405.1500 0.021
fragment_424.2500 0.018
fragment_467.2500 0.017
fragment_656.1500 0.016
fragment_309.1500 0.015
fragment_268.1500 0.015
loss_146.1500 0.013
fragment_657.1500 0.011
fragment_468.2500 0.010
fragment_84.9500 0.008
fragment_414.0500 0.006
fragment_224.0500 0.006
loss_111.1500 0.006
loss_151.1500 0.006
fragment_309.0500 0.005
fragment_162.1500 0.004
fragment_339.1500 0.004
fragment_280.9500 0.004
fragment_240.0500 0.004
loss_185.1500 0.003
fragment_425.1500 0.003
fragment_407.1500 0.003
loss_99.1500 0.003
fragment_269.9500 0.003
fragment_324.1500 0.003
fragment_406.1500 0.003
loss_81.1500 0.003
loss_150.1500 0.003
fragment_332.0500 0.003
fragment_496.0500 0.003
fragment_296.9500 0.003
loss_127.0500 0.003
loss_126.0500 0.003
loss_97.0500 0.003
loss_163.1500 0.002
loss_126.1500 0.002
fragment_198.9500 0.002
fragment_169.9500 0.002
fragment_188.5500 0.002
fragment_250.0500 0.002
fragment_235.0500 0.002
fragment_108.0500 0.002
loss_74.1500 0.002
fragment_310.0500 0.002
fragment_204.8500 0.002
fragment_293.1500 0.002
fragment_225.0500 0.002
fragment_291.0500 0.002
fragment_282.9500 0.002
fragment_492.5500 0.002
loss_74.7500 0.002
fragment_594.3500 0.002
loss_184.2500 0.002
fragment_69.0500 0.001
fragment_123.0500 0.001
loss_178.0500 0.001
fragment_373.0500 0.001
fragment_478.2500 0.001
fragment_368.2500 0.001
fragment_376.0500 0.001
loss_119.1500 0.001
fragment_451.2500 0.001
fragment_283.1500 0.001
fragment_315.2500 0.001
fragment_281.5500 0.001
fragment_290.0500 0.001
fragment_282.5500 0.001

Counts of Classyfire Substituent terms

Term name Count in motif Percentage in motif Percentage in experiment Absolute difference
Hydrocarbon derivative 53 100 100 0
Organooxygen compound 50 94.3 95.3 1.0
Organic nitrogen compound 28 52.8 55.6 2.8
Organonitrogen compound 27 50.9 54.1 3.2
Carbonyl group 21 39.6 44.0 4.4
Organopnictogen compound 21 39.6 45.2 5.6
Azacycle 17 32.1 22.6 9.5
Benzenoid 14 26.4 18.3 8.1
Aromatic heteropolycyclic compound 9 17.0 9.6 7.3
Carboxamide group 9 17.0 5.5 11.5
Heteroaromatic compound 8 15.1 5.8 9.3
Organoheterocyclic compound 7 13.2 13.3 0.1
Oxacycle 4 7.5 7.9 0.4
Alcohol 2 3.8 14.7 10.9
Amine 2 3.8 4.4 0.6
Carboxylic acid ester 1 1.9 1.8 0.1
1-hydroxy-2-unsubstituted benzenoid 1 1.9 1.3 0.6
Phenol 1 1.9 0.5 1.4

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_5270 755.2760 755.2760 None 0.980 0.324
document_2295 511.2370 511.2370 None 0.921 0.271
document_2282 508.2210 508.2210 None 0.853 0.253
document_2532 533.2500 533.2500 None 0.851 0.125
document_2433 524.3020 524.3020 None 0.628 0.080
document_2904 567.3440 567.3440 None 0.565 0.430
document_338 413.2460 413.2460 None 0.421 0.374
document_2311 511.3180 511.3180 None 0.397 0.278
document_2607 541.3010 541.3010 None 0.355 0.150
document_1746 475.3230 475.3230 Loperamide hydrochloride 0.337 0.261
document_2721 553.2930 553.2930 None 0.304 0.140
document_441 419.2150 419.2150 None 0.226 0.145
document_429 419.2110 419.2110 None 0.221 0.139
document_545 421.2310 421.2310 None 0.215 0.084
document_2546 535.2570 535.2570 None 0.172 0.103
document_1769 476.3070 476.3070 None 0.165 0.253
document_2606 541.3020 541.3020 None 0.160 0.069
document_3069 585.3600 585.3600 None 0.153 0.268
document_2706 551.3360 551.3360 None 0.150 0.257
document_3013 580.2980 580.2980 None 0.147 0.269
document_1759 476.2540 476.2540 None 0.132 0.256
document_2465 527.2960 527.2960 None 0.125 0.070
document_2612 542.3180 542.3180 None 0.124 0.277
document_1637 467.3230 467.3230 None 0.118 0.144
document_320 413.2330 413.2330 None 0.117 0.078
document_3480 628.2990 628.2990 None 0.110 0.266
document_1585 463.3010 463.3010 None 0.108 0.076
document_1983 495.0870 495.0870 None 0.105 0.251
document_2317 512.2500 512.2500 None 0.105 0.268
document_546 421.2310 421.2310 None 0.101 0.142
document_2537 533.3360 533.3360 None 0.101 0.268
document_799 429.1920 429.1920 None 0.099 0.335
document_2965 573.8100 573.8100 None 0.096 0.139
document_274 413.2140 413.2140 None 0.089 0.264
document_1754 475.3800 475.3800 None 0.088 0.256
document_328 413.2540 413.2540 None 0.084 0.135
document_1108 435.2120 435.2120 None 0.082 0.275
document_2615 542.3210 542.3210 None 0.081 0.274
document_1453 457.2120 457.2120 None 0.075 0.138
document_1078 435.2110 435.2110 None 0.074 0.293
document_1777 477.3050 477.3050 None 0.072 0.252
document_2717 553.2590 553.2590 None 0.070 0.138
document_282 413.2200 413.2200 None 0.070 0.266
document_73 401.2700 401.2700 None 0.069 0.070
document_1862 485.2700 485.2700 None 0.066 0.087
document_794 429.1790 429.1790 None 0.063 0.253
document_3787 652.3340 652.3340 None 0.060 0.257
document_3749 647.3540 647.3540 None 0.058 0.253
document_776 429.1790 429.1790 None 0.057 0.253
document_3070 585.3590 585.3590 None 0.056 0.253
document_571 421.2320 421.2320 None 0.055 0.274
document_1564 463.2760 463.2760 None 0.054 0.135
document_319 413.2340 413.2340 None 0.051 0.090

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.