Mass2Motif: motif_118

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 0.9549531454486611. 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_391.1500 0.423
loss_39.8500 0.059
fragment_685.3500 0.040
fragment_466.2500 0.018
fragment_392.1500 0.017
loss_150.5500 0.016
fragment_227.0500 0.015
fragment_466.7500 0.012
loss_84.0500 0.012
loss_150.0500 0.012
fragment_705.3500 0.012
loss_97.4500 0.011
fragment_519.2500 0.011
loss_106.5500 0.011
fragment_532.3500 0.010
loss_34.5500 0.010
fragment_70.5500 0.009
loss_168.5500 0.009
fragment_448.2500 0.009
fragment_510.1500 0.009
loss_102.1500 0.009
fragment_315.1500 0.007
loss_69.5500 0.007
loss_161.6500 0.007
fragment_390.6500 0.007
fragment_931.4500 0.007
fragment_333.5500 0.006
fragment_785.2500 0.006
fragment_612.0500 0.006
fragment_507.2500 0.005
fragment_284.9500 0.005
fragment_543.3500 0.005
fragment_59.8500 0.005
loss_38.7500 0.005
fragment_150.0500 0.004
fragment_696.2500 0.004
fragment_413.1500 0.004
loss_167.7500 0.004
fragment_932.4500 0.004
loss_22.8500 0.004
loss_188.1500 0.004
fragment_382.7500 0.004
fragment_482.7500 0.004
loss_156.6500 0.004
fragment_223.2500 0.004
fragment_547.2500 0.004
loss_146.7500 0.003
fragment_161.0500 0.003
fragment_553.0500 0.003
loss_63.7500 0.003
fragment_767.2500 0.003
fragment_611.3500 0.003
fragment_532.8500 0.003
fragment_61.1500 0.003
fragment_513.2500 0.003
loss_134.4500 0.003
fragment_482.2500 0.003
loss_81.7500 0.002
fragment_363.2500 0.002
fragment_342.1500 0.002
loss_23.1500 0.002
fragment_611.7500 0.002
fragment_284.0500 0.002
fragment_291.1500 0.002
loss_23.4500 0.002
fragment_279.6500 0.002
fragment_217.6500 0.002
fragment_686.3500 0.002
fragment_736.9500 0.002
loss_83.0500 0.002
fragment_862.4500 0.002
fragment_678.8500 0.002
loss_42.4500 0.002
fragment_209.0500 0.002
fragment_544.3500 0.002
fragment_632.3500 0.002
fragment_293.0500 0.002
fragment_543.6500 0.002
loss_40.5500 0.002
fragment_576.2500 0.002
fragment_393.1500 0.002
loss_162.6500 0.002
fragment_333.1500 0.001
fragment_649.2500 0.001
fragment_757.2500 0.001
loss_22.2500 0.001
fragment_894.1500 0.001
loss_72.5500 0.001
fragment_544.2500 0.001
fragment_159.0500 0.001
fragment_786.2500 0.001
fragment_664.7500 0.001
fragment_523.2500 0.001
fragment_884.4500 0.001
fragment_820.9500 0.001

Counts of Classyfire Substituent terms

Term name Count in motif Percentage in motif Percentage in experiment Absolute difference
Hydrocarbon derivative 46 100 100 0
Organooxygen compound 45 97.8 95.3 2.5
Organonitrogen compound 23 50 54.1 4.1
Benzenoid 21 45.7 18.3 27.3
Organic nitrogen compound 19 41.3 55.6 14.3
Organopnictogen compound 17 37.0 45.2 8.3
Aromatic heteropolycyclic compound 12 26.1 9.6 16.4
Carbonyl group 11 23.9 44.0 20.1
Azacycle 10 21.7 22.6 0.9
Heteroaromatic compound 9 19.6 5.8 13.8
Oxacycle 7 15.2 7.9 7.3
Organoheterocyclic compound 6 13.0 13.3 0.3
Alcohol 4 8.7 14.7 6.0
Secondary alcohol 2 4.3 7.7 3.4
Phenol 2 4.3 0.5 3.9
1-hydroxy-4-unsubstituted benzenoid 2 4.3 0.2 4.1
Primary alcohol 1 2.2 0.9 1.3
Oxane 1 2.2 1.9 0.3
O-glycosyl compound 1 2.2 1.2 1.0
Polyol 1 2.2 1.6 0.6
1-hydroxy-2-unsubstituted benzenoid 1 2.2 1.3 0.9
Vinylogous acid 1 2.2 0.1 2.1

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_5306 759.2210 759.2210 None 0.994 0.441
document_3399 616.7820 616.7820 None 0.748 0.654
document_931 430.9120 430.9120 None 0.334 0.481
document_940 430.9120 430.9120 None 0.291 0.503
document_914 430.9110 430.9110 None 0.286 0.500
document_2841 565.3720 565.3720 None 0.242 0.027
document_982 430.9130 430.9130 None 0.241 0.506
document_5369 769.4280 769.4280 None 0.239 0.080
document_2714 552.2860 552.2860 None 0.237 0.446
document_5413 771.4860 771.4860 None 0.207 0.049
document_3569 634.8750 634.8750 None 0.195 0.010
document_3577 634.8760 634.8760 None 0.189 0.016
document_2883 566.8880 566.8880 None 0.184 0.023
document_2206 504.2790 504.2790 None 0.176 0.426
document_3669 639.4080 639.4080 None 0.168 0.432
document_1919 487.3660 487.3660 None 0.167 0.019
document_3633 639.3600 639.3600 None 0.160 0.430
document_938 430.9130 430.9130 None 0.159 0.488
document_809 429.2430 429.2430 None 0.149 0.438
document_2437 525.1960 525.1960 None 0.145 0.441
document_2891 566.8890 566.8890 None 0.142 0.023
document_966 430.9130 430.9130 None 0.142 0.429
document_950 430.9130 430.9130 None 0.121 0.481
document_2847 566.8850 566.8850 None 0.120 0.020
document_5240 748.4660 748.4660 None 0.117 0.440
document_755 429.1650 429.1650 None 0.117 0.438
document_3533 634.3370 634.3370 None 0.101 0.009
document_4893 727.4230 727.4230 None 0.098 0.420
document_937 430.9130 430.9130 None 0.098 0.505
document_2415 522.2560 522.2560 None 0.096 0.431
document_3663 639.4080 639.4080 None 0.093 0.419
document_3635 639.3990 639.3990 None 0.093 0.429
document_776 429.1790 429.1790 None 0.091 0.438
document_2092 498.8960 498.8960 None 0.091 0.009
document_777 429.1780 429.1780 None 0.090 0.438
document_4096 683.3760 683.3760 None 0.086 0.425
document_4479 703.3190 703.3190 None 0.082 0.051
document_2086 498.8970 498.8970 None 0.075 0.006
document_756 429.1750 429.1750 None 0.070 0.438
document_4098 683.4160 683.4160 None 0.066 0.424
document_819 429.2430 429.2430 None 0.066 0.420
document_991 430.9130 430.9130 None 0.065 0.481
document_3630 639.3930 639.3930 None 0.055 0.419
document_2895 566.8880 566.8880 None 0.053 0.007
document_961 430.9130 430.9130 None 0.051 0.441
document_3672 639.4080 639.4080 None 0.050 0.423

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.