Mass2Motif: motif_153

Return to experiment crusemann

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 0.9723656983580318. 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_137.1500 0.251
fragment_135.1500 0.199
fragment_97.1500 0.085
fragment_323.0500 0.065
fragment_689.4500 0.022
loss_188.1500 0.019
loss_19.0500 0.019
fragment_325.0500 0.018
fragment_322.0500 0.018
loss_189.0500 0.015
fragment_156.9500 0.014
loss_141.9500 0.012
fragment_399.1500 0.011
fragment_93.0500 0.010
loss_94.0500 0.009
fragment_138.1500 0.009
fragment_365.2500 0.008
loss_145.9500 0.008
fragment_262.1500 0.006
fragment_107.0500 0.006
loss_136.0500 0.006
loss_67.7500 0.006
fragment_640.7500 0.006
fragment_262.9500 0.006
fragment_311.3500 0.005
fragment_138.9500 0.005
fragment_322.9500 0.005
fragment_515.1500 0.005
loss_193.3500 0.005
loss_53.9500 0.005
fragment_287.0500 0.004
fragment_475.1500 0.004
loss_100.2500 0.004
loss_168.0500 0.003
loss_100.5500 0.003
fragment_607.8500 0.003
fragment_274.9500 0.003
fragment_387.1500 0.003
fragment_276.9500 0.003
loss_134.2500 0.003
fragment_324.0500 0.003
fragment_288.0500 0.003
fragment_401.1500 0.003
fragment_171.7500 0.003
loss_135.5500 0.003
fragment_118.6500 0.003
loss_158.9500 0.003
fragment_189.1500 0.003
fragment_136.1500 0.002
fragment_154.1500 0.002
loss_136.8500 0.002
loss_51.9500 0.002
loss_158.2500 0.002
fragment_82.0500 0.002
fragment_257.0500 0.002
fragment_477.1500 0.002
fragment_370.1500 0.002
fragment_77.0500 0.002
fragment_641.5500 0.002
loss_57.1500 0.002
fragment_400.1500 0.002
loss_66.8500 0.002
fragment_437.1500 0.002
loss_93.0500 0.002
loss_155.8500 0.002
fragment_233.0500 0.002
fragment_641.0500 0.002
loss_67.3500 0.002
fragment_554.6500 0.002
loss_153.7500 0.002
loss_66.0500 0.002
fragment_57.0500 0.002
fragment_642.4500 0.002
loss_52.9500 0.001
fragment_55.0500 0.001
fragment_476.1500 0.001
fragment_269.0500 0.001
fragment_247.0500 0.001
fragment_95.0500 0.001
fragment_411.0500 0.001

Counts of Classyfire Substituent terms

Term name Count in motif Percentage in motif Percentage in experiment Absolute difference
Hydrocarbon derivative 48 100 100 0
Organooxygen compound 45 93.8 95.3 1.6
Carbonyl group 17 35.4 44.0 8.6
Organic nitrogen compound 13 27.1 55.6 28.5
Organonitrogen compound 12 25 54.1 29.1
Organopnictogen compound 7 14.6 45.2 30.7
Alcohol 5 10.4 14.7 4.2
Oxacycle 4 8.3 7.9 0.4
Heteroaromatic compound 4 8.3 5.8 2.6
Aromatic heteropolycyclic compound 3 6.3 9.6 3.4
Azacycle 3 6.3 22.6 16.4
Secondary alcohol 2 4.2 7.7 3.5
Benzenoid 2 4.2 18.3 14.2
Organoheterocyclic compound 1 2.1 13.3 11.2
1-hydroxy-2-unsubstituted benzenoid 1 2.1 1.3 0.8
Phenol 1 2.1 0.5 1.6
1-hydroxy-4-unsubstituted benzenoid 1 2.1 0.2 1.9
Aliphatic acyclic compound 1 2.1 2.9 0.9

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_4566 708.4630 708.4630 None 0.975 0.088
document_2297 511.1750 511.1750 None 0.934 0.376
document_2486 529.1240 529.1240 None 0.839 0.343
document_1976 493.1510 493.1510 None 0.677 0.342
document_1461 458.9730 458.9730 None 0.676 0.297
document_234 411.2430 411.2430 None 0.578 0.273
document_2296 511.1690 511.1690 None 0.491 0.332
document_2571 537.4870 537.4870 None 0.444 0.344
document_2 307.3020 307.3020 None 0.288 0.031
document_3248 602.3360 602.3360 None 0.233 0.270
document_89 401.2860 401.2860 Massbank:FFF00098 24-Ethylcoprostanol 0.224 0.261
document_159 405.2930 405.2930 None 0.210 0.264
document_4836 720.5530 720.5530 None 0.186 0.086
document_340 413.2540 413.2540 None 0.175 0.021
document_1759 476.2540 476.2540 None 0.138 0.257
document_4272 690.5050 690.5050 None 0.133 0.253
document_5542 811.3310 811.3310 None 0.125 0.260
document_2748 555.2930 555.2930 None 0.112 0.253
document_203 409.5200 409.5200 None 0.107 0.260
document_4279 690.5070 690.5070 None 0.103 0.202
document_5247 750.5280 750.5280 None 0.103 0.203
document_5653 841.3330 841.3330 None 0.102 0.252
document_4609 711.4000 711.4000 None 0.096 0.219
document_75 401.2590 401.2590 Massbank:FFF00078 Stigmastanol 0.094 0.202
document_1131 437.2300 437.2300 None 0.090 0.199
document_5588 819.5000 819.5000 None 0.087 0.254
document_1654 468.3690 468.3690 None 0.086 0.271
document_4700 716.4670 716.4670 None 0.084 0.253
document_4189 689.4490 689.4490 None 0.081 0.269
document_5591 819.5000 819.5000 None 0.078 0.252
document_4606 710.4740 710.4740 None 0.077 0.205
document_1187 440.2780 440.2780 None 0.072 0.250
document_4794 718.5330 718.5330 None 0.071 0.086
document_2572 537.4880 537.4880 None 0.071 0.253
document_3700 642.5070 642.5070 None 0.069 0.086
document_4016 678.5060 678.5060 None 0.069 0.337
document_3967 675.6750 675.6750 None 0.067 0.199
document_221 409.3820 409.3820 None 0.066 0.203
document_4734 716.4700 716.4700 None 0.065 0.200
document_175 407.0880 407.0880 None 0.063 0.013
document_4849 722.4910 722.4910 None 0.058 0.087
document_4822 718.5340 718.5340 None 0.058 0.202
document_4628 712.4880 712.4880 None 0.057 0.210
document_4581 708.5160 708.5160 None 0.056 0.041
document_2586 540.3570 540.3570 None 0.053 0.272
document_4600 710.4110 710.4110 None 0.052 0.200
document_2201 503.8670 503.8670 None 0.051 0.086
document_1720 473.5040 473.5040 None 0.050 0.252

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.