Mass2Motif: motif_49

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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: Thr-Met peptidic related Mass2Motif?

Short Annotation: Thr-Met peptidic related Mass2Motif?

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 0.9582844161615814. 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_251.1500 0.353
fragment_150.0500 0.206
fragment_249.0500 0.116
loss_164.1500 0.041
fragment_252.1500 0.021
fragment_153.0500 0.017
fragment_640.2500 0.016
loss_147.5500 0.016
fragment_240.1500 0.016
fragment_223.1500 0.012
loss_88.0500 0.008
loss_146.5500 0.008
fragment_641.2500 0.008
fragment_658.2500 0.007
loss_129.5500 0.007
loss_142.1500 0.006
loss_118.5500 0.006
fragment_669.2500 0.006
fragment_181.1500 0.005
fragment_306.0500 0.005
loss_178.1500 0.005
fragment_151.0500 0.004
fragment_431.7500 0.004
fragment_136.0500 0.004
fragment_194.0500 0.004
fragment_254.7500 0.004
fragment_936.3500 0.003
loss_125.1500 0.003
fragment_662.7500 0.003
fragment_248.0500 0.003
fragment_236.0500 0.003
loss_76.0500 0.003
fragment_58.5500 0.003
fragment_144.9500 0.003
fragment_432.1500 0.003
fragment_274.0500 0.003
fragment_515.2500 0.002
loss_139.1500 0.002
fragment_94.0500 0.002
fragment_122.0500 0.002
fragment_250.0500 0.002
fragment_165.0500 0.002
loss_151.5500 0.002
fragment_401.8500 0.002
loss_91.3500 0.002
loss_188.6500 0.002
fragment_193.8500 0.001
fragment_224.1500 0.001

Counts of Classyfire Substituent terms

Term name Count in motif Percentage in motif Percentage in experiment Absolute difference
Hydrocarbon derivative 54 100 100 0
Organooxygen compound 51 94.4 95.3 0.9
Organonitrogen compound 28 51.9 54.1 2.3
Organic nitrogen compound 26 48.1 55.6 7.5
Organopnictogen compound 22 40.7 45.2 4.5
Carbonyl group 16 29.6 44.0 14.4
Azacycle 13 24.1 22.6 1.5
Aromatic heteropolycyclic compound 9 16.7 9.6 7.0
Benzenoid 8 14.8 18.3 3.5
Organoheterocyclic compound 7 13.0 13.3 0.4
Alcohol 6 11.1 14.7 3.5
Oxacycle 5 9.3 7.9 1.4
Secondary alcohol 3 5.6 7.7 2.2
Heteroaromatic compound 1 1.9 5.8 3.9
Amine 1 1.9 4.4 2.5
Carboxylic acid ester 1 1.9 1.8 0.0
Carboxamide group 1 1.9 5.5 3.6
Oxane 1 1.9 1.9 0.1
Pyran 1 1.9 0.1 1.8

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_5468 787.8110 787.8110 None 1.000 0.125
document_2551 535.3020 535.3020 None 0.968 0.600
document_1980 493.2530 493.2530 None 0.952 0.601
document_2533 533.2600 533.2600 None 0.919 0.605
document_2262 507.2680 507.2680 None 0.910 0.601
document_2403 521.2880 521.2880 None 0.755 0.612
document_1554 463.2450 463.2450 None 0.452 0.124
document_1779 477.3210 477.3210 None 0.325 0.386
document_320 413.2330 413.2330 None 0.309 0.167
document_2005 495.2840 495.2840 None 0.306 0.368
document_4498 704.3280 704.3280 None 0.298 0.359
document_1363 449.8070 449.8070 None 0.296 0.567
document_325 413.2340 413.2340 None 0.268 0.165
document_1732 473.3440 473.3440 None 0.244 0.376
document_1387 451.2460 451.2460 None 0.208 0.580
document_1198 441.2080 441.2080 None 0.182 0.382
document_1773 477.2610 477.2610 None 0.177 0.128
document_1725 473.3440 473.3440 None 0.173 0.373
document_494 419.2770 419.2770 None 0.172 0.208
document_1780 477.3640 477.3640 None 0.171 0.374
document_675 423.2110 423.2110 None 0.169 0.210
document_3686 640.4520 640.4520 None 0.163 0.374
document_1981 493.2540 493.2540 None 0.153 0.563
document_1002 431.2180 431.2180 None 0.142 0.373
document_2183 501.3530 501.3530 None 0.140 0.405
document_3195 596.3120 596.3120 None 0.140 0.374
document_4957 731.4630 731.4630 None 0.135 0.378
document_1781 477.3670 477.3670 None 0.134 0.374
document_1938 489.6890 489.6890 None 0.130 0.352
document_1726 473.3430 473.3430 None 0.126 0.352
document_1220 443.0070 443.0070 None 0.125 0.117
document_1031 433.2670 433.2670 None 0.116 0.118
document_2334 513.2570 513.2570 None 0.111 0.353
document_59 401.2470 401.2470 None 0.096 0.120
document_345 413.2570 413.2570 None 0.096 0.364
document_3803 655.3670 655.3670 None 0.089 0.353
document_310 413.2160 413.2160 None 0.086 0.156
document_1023 431.2940 431.2940 None 0.084 0.351
document_3780 651.3700 651.3700 None 0.083 0.368
document_1739 475.0240 475.0240 None 0.079 0.357
document_4480 703.3290 703.3290 None 0.078 0.206
document_1173 440.2480 440.2480 None 0.076 0.206
document_5036 737.8310 737.8310 None 0.076 0.206
document_5232 745.4830 745.4830 None 0.072 0.352
document_5286 757.3920 757.3920 None 0.070 0.206
document_478 419.2760 419.2760 None 0.069 0.208
document_663 421.3010 421.3010 None 0.063 0.353
document_511 419.3140 419.3140 None 0.062 0.116
document_1926 489.7330 489.7330 None 0.061 0.353
document_1692 471.2930 471.2930 None 0.059 0.125
document_2281 508.2020 508.2020 None 0.057 0.352
document_192 408.0990 408.0990 None 0.055 0.374
document_1991 494.2350 494.2350 None 0.051 0.206
document_2182 501.3540 501.3540 None 0.051 0.351

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.