Mass2Motif: motif_110

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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: Streptomyces related Mass2Motif - cyclic peptide related?

Short Annotation: Streptomyces related Mass2Motif - cyclic peptide related?

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 0.9668358326011075. 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_117.0500 0.418
fragment_175.1500 0.244
fragment_115.0500 0.047
fragment_233.1500 0.046
fragment_118.0500 0.018
fragment_667.3500 0.016
fragment_708.6500 0.015
fragment_396.1500 0.014
fragment_101.0500 0.010
fragment_462.2500 0.008
fragment_291.2500 0.008
fragment_56.0500 0.006
fragment_668.3500 0.006
fragment_145.0500 0.005
fragment_698.4500 0.004
fragment_397.2500 0.004
loss_178.0500 0.004
fragment_176.1500 0.004
loss_175.0500 0.004
fragment_60.0500 0.004
fragment_400.2500 0.004
fragment_554.2500 0.004
loss_20.9500 0.004
fragment_711.1500 0.003
loss_196.5500 0.003
fragment_378.7500 0.003
fragment_266.9500 0.003
fragment_157.0500 0.003
fragment_421.7500 0.003
loss_153.5500 0.003
fragment_685.8500 0.003
fragment_99.0500 0.003
fragment_139.1500 0.003
fragment_234.1500 0.003
fragment_674.7500 0.003
fragment_429.5500 0.003
loss_179.8500 0.003
fragment_709.7500 0.002
fragment_132.9500 0.002
fragment_728.6500 0.002
fragment_759.7500 0.002
loss_142.0500 0.002
loss_17.0500 0.002
fragment_161.0500 0.002
loss_118.2500 0.002
fragment_491.0500 0.002
fragment_467.3500 0.002
fragment_497.3500 0.002
loss_183.2500 0.002
fragment_157.1500 0.001
fragment_234.9500 0.001
fragment_352.8500 0.001
fragment_126.3500 0.001
fragment_657.4500 0.001
loss_159.0500 0.001
fragment_288.9500 0.001
fragment_290.1500 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 46 86.8 95.3 8.5
Carbonyl group 25 47.2 44.0 3.1
Organonitrogen compound 24 45.3 54.1 8.8
Organic nitrogen compound 23 43.4 55.6 12.2
Organopnictogen compound 20 37.7 45.2 7.5
Benzenoid 10 18.9 18.3 0.5
Azacycle 7 13.2 22.6 9.4
Alcohol 5 9.4 14.7 5.2
Organoheterocyclic compound 5 9.4 13.3 3.9
1-hydroxy-2-unsubstituted benzenoid 4 7.5 1.3 6.3
Secondary alcohol 3 5.7 7.7 2.0
Oxane 2 3.8 1.9 1.9
Oxacycle 2 3.8 7.9 4.1
O-glycosyl compound 2 3.8 1.2 2.6
Polyol 1 1.9 1.6 0.3
Acetal 1 1.9 1.5 0.4
Phenol 1 1.9 0.5 1.4
Aliphatic acyclic compound 1 1.9 2.9 1.0
Heteroaromatic compound 1 1.9 5.8 3.9
Aromatic heteropolycyclic compound 1 1.9 9.6 7.8

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_5471 790.5800 790.5800 None 0.731 0.793
document_3954 674.5070 674.5070 None 0.723 0.805
document_2967 575.2780 575.2780 None 0.677 0.076
document_3393 616.4660 616.4660 None 0.661 0.804
document_2177 500.3800 500.3800 None 0.588 0.783
document_2781 558.4250 558.4250 Massbank:EA285507 Dronedarone|N-[2-butyl-3-[4-[3-(dibutylamino)propoxy]benzoyl]-1-benzofuran-5-yl]methanesulfonamide 0.579 0.793
document_2780 558.4240 558.4240 None 0.571 0.796
document_3818 657.4800 657.4800 None 0.553 0.793
document_2178 500.3870 500.3870 None 0.548 0.486
document_3394 616.4560 616.4560 None 0.545 0.779
document_4659 715.5180 715.5180 None 0.529 0.775
document_4660 715.5250 715.5250 None 0.475 0.671
document_1244 442.3410 442.3410 None 0.465 0.742
document_2176 500.3780 500.3780 None 0.464 0.668
document_3219 599.4400 599.4400 None 0.458 0.791
document_3310 609.3410 609.3410 None 0.429 0.120
document_4972 732.6290 732.6290 None 0.409 0.796
document_2608 541.3970 541.3970 None 0.395 0.793
document_1845 483.3550 483.3550 None 0.366 0.794
document_3377 613.5220 613.5220 None 0.332 0.355
document_1245 442.6190 442.6190 None 0.224 0.715
document_4971 732.5380 732.5380 None 0.194 0.422
document_3658 639.4050 639.4050 None 0.161 0.418
document_3211 598.8280 598.8280 None 0.141 0.244
document_3940 673.7100 673.7100 None 0.130 0.465
document_2456 526.4570 526.4570 None 0.130 0.424
document_383 415.0420 415.0420 None 0.121 0.436
document_1186 440.2780 440.2780 None 0.114 0.428
document_2445 526.1110 526.1110 None 0.114 0.423
document_2290 510.3120 510.3120 None 0.113 0.417
document_2457 526.4570 526.4570 None 0.108 0.418
document_1990 493.7250 493.7250 None 0.097 0.430
document_3642 639.3540 639.3540 None 0.093 0.244
document_5827 959.5150 959.5150 None 0.092 0.289
document_3805 656.2580 656.2580 Rifamycin W 0.083 0.245
document_470 419.2650 419.2650 None 0.076 0.418
document_1520 460.2720 460.2720 None 0.075 0.437
document_1968 492.3510 492.3510 None 0.074 0.416
document_1565 463.2790 463.2790 None 0.072 0.418
document_4853 722.5020 722.5020 None 0.066 0.251
document_3922 669.4500 669.4500 None 0.064 0.266
document_3791 654.9190 654.9190 None 0.062 0.254
document_5426 776.5660 776.5660 None 0.062 0.420
document_30 401.2660 401.2660 None 0.061 0.244
document_192 408.0990 408.0990 None 0.058 0.254
document_2159 499.2420 499.2420 None 0.055 0.418
document_245 412.1800 412.1800 None 0.053 0.294
document_28 401.2950 401.2950 None 0.053 0.245
document_1521 460.2750 460.2750 None 0.053 0.422
document_41 401.4800 401.4800 None 0.052 0.244
document_2156 499.1970 499.1970 None 0.052 0.475
document_3498 629.9460 629.9460 None 0.052 0.756
document_3172 595.2870 595.2870 None 0.052 0.418

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.