Mass2Motif: motif_10

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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: Actinomycin related Mass2Motif (H-VPMeGMeV-OH peptide lactone sequence)

Short Annotation: Actinomycin peptide lactone 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 0.8979030324556831. 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_300.1500 0.211
fragment_456.2500 0.094
fragment_399.2500 0.043
fragment_203.1500 0.042
fragment_723.3500 0.034
fragment_268.1500 0.033
fragment_743.3500 0.029
fragment_727.3500 0.021
fragment_569.2500 0.020
fragment_457.2500 0.017
fragment_301.1500 0.015
fragment_282.1500 0.013
fragment_539.2500 0.013
fragment_392.2500 0.012
loss_57.5500 0.012
loss_113.0500 0.012
fragment_845.3500 0.011
fragment_172.0500 0.011
fragment_744.3500 0.010
fragment_725.3500 0.009
fragment_254.0500 0.009
fragment_728.3500 0.007
loss_28.0500 0.007
fragment_724.3500 0.006
fragment_400.2500 0.006
fragment_964.4500 0.006
fragment_681.3500 0.006
fragment_713.3500 0.006
fragment_169.0500 0.005
fragment_726.3500 0.005
fragment_732.2500 0.004
fragment_846.3500 0.004
loss_27.9500 0.004
fragment_930.4500 0.004
fragment_428.1500 0.004
fragment_610.2500 0.004
loss_29.9500 0.004
loss_147.1500 0.004
fragment_613.2500 0.004
fragment_697.2500 0.003
fragment_847.3500 0.003
fragment_551.2500 0.003
loss_43.8500 0.003
fragment_197.1500 0.003
fragment_521.2500 0.003
fragment_428.2500 0.003
loss_93.1500 0.003
fragment_715.2500 0.003
fragment_569.5500 0.003
fragment_342.1500 0.003
fragment_383.1500 0.003
loss_96.0500 0.003
fragment_70.0500 0.003
fragment_86.0500 0.002
loss_26.9500 0.002
fragment_714.3500 0.002
fragment_613.3500 0.002
fragment_198.1500 0.002
fragment_132.1500 0.002
fragment_457.1500 0.002
fragment_500.2500 0.002
fragment_673.3500 0.002
fragment_432.4500 0.002
loss_70.1500 0.002
fragment_458.9500 0.002
fragment_160.0500 0.002
fragment_664.3500 0.002
fragment_907.4500 0.002
fragment_325.2500 0.002
fragment_727.2500 0.002
fragment_372.1500 0.002
fragment_244.0500 0.002
fragment_340.6500 0.002
fragment_733.2500 0.002
fragment_609.3500 0.002
fragment_511.2500 0.002
loss_58.0500 0.002
fragment_530.2500 0.002
fragment_558.1500 0.002
fragment_626.6500 0.002
fragment_627.2500 0.002
fragment_734.2500 0.002
fragment_659.2500 0.002
fragment_587.1500 0.002
loss_55.7500 0.002
fragment_79.9500 0.001
fragment_247.1500 0.001
fragment_869.4500 0.001
loss_152.6500 0.001
fragment_505.3500 0.001
fragment_924.9500 0.001
fragment_529.2500 0.001
fragment_864.7500 0.001
fragment_424.1500 0.001
fragment_475.1500 0.001
fragment_851.0500 0.001
fragment_827.3500 0.001
fragment_803.4500 0.001
fragment_620.7500 0.001
loss_78.6500 0.001
fragment_546.7500 0.001
loss_94.5500 0.001
fragment_124.1500 0.001
fragment_842.3500 0.001
fragment_865.9500 0.001
fragment_752.8500 0.001
fragment_417.1500 0.001
fragment_638.5500 0.001
fragment_319.6500 0.001
loss_102.7500 0.001
loss_49.8500 0.001
fragment_881.5500 0.001
fragment_695.3500 0.001
fragment_729.3500 0.001
fragment_583.2500 0.001
fragment_530.1500 0.001
loss_111.1500 0.001

Counts of Classyfire Substituent terms

Term name Count in motif Percentage in motif Percentage in experiment Absolute difference
Hydrocarbon derivative 37 100 100 0
Organooxygen compound 36 97.3 95.3 2.0
Organic nitrogen compound 30 81.1 55.6 25.4
Organonitrogen compound 30 81.1 54.1 27.0
Organopnictogen compound 26 70.3 45.2 25.0
Carbonyl group 25 67.6 44.0 23.5
Organoheterocyclic compound 22 59.5 13.3 46.1
Azacycle 20 54.1 22.6 31.4
Carboxamide group 16 43.2 5.5 37.8
Oxacycle 12 32.4 7.9 24.5
Alcohol 12 32.4 14.7 17.8
Benzenoid 11 29.7 18.3 11.4
Aromatic heteropolycyclic compound 8 21.6 9.6 12.0
Secondary alcohol 5 13.5 7.7 5.8
Carboxylic acid ester 4 10.8 1.8 9.0
Amine 4 10.8 4.4 6.4
Heteroaromatic compound 1 2.7 5.8 3.0
Oxane 1 2.7 1.9 0.8
Pyran 1 2.7 0.1 2.6

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_5885 1056.4730 1056.4730 Salinamide B 0.967 0.047
document_5786 931.3890 931.3890 None 0.942 0.200
document_4872 725.1200 725.1200 None 0.830 0.401
document_3690 641.3280 641.3280 None 0.777 0.388
document_5168 741.3440 741.3440 None 0.729 0.344
document_5273 755.3610 755.3610 None 0.729 0.410
document_5787 931.4500 931.4500 None 0.704 0.202
document_5889 1077.5140 1077.5140 None 0.685 0.071
document_5272 755.3600 755.3600 None 0.675 0.454
document_4480 703.3290 703.3290 None 0.668 0.282
document_4088 682.3750 682.3750 None 0.649 0.205
document_4087 682.3740 682.3740 None 0.616 0.211
document_3482 628.3210 628.3210 None 0.614 0.367
document_4959 731.4680 731.4680 None 0.582 0.110
document_5784 931.4360 931.4360 None 0.578 0.244
document_4372 699.3410 699.3410 None 0.524 0.365
document_4379 700.3670 700.3670 None 0.429 0.154
document_2502 530.3340 530.3340 None 0.244 0.268
document_4131 683.4640 683.4640 None 0.219 0.221
document_3587 635.3400 635.3400 None 0.191 0.349
document_3921 669.4480 669.4480 None 0.170 0.221
document_4133 683.4690 683.4690 None 0.154 0.221
document_5788 931.4520 931.4520 None 0.147 0.194
document_5713 874.4290 874.4290 None 0.146 0.142
document_5807 947.4480 947.4480 None 0.139 0.139
document_3835 659.8140 659.8140 None 0.136 0.285
document_4588 709.4140 709.4140 None 0.118 0.281
document_5910 1141.4390 1141.4390 None 0.100 0.129
document_5269 754.9710 754.9710 None 0.099 0.316
document_1672 469.6430 469.6430 None 0.080 0.210
document_5712 874.4290 874.4290 None 0.071 0.175
document_3499 630.2440 630.2440 None 0.067 0.211
document_437 418.2650 418.2650 None 0.066 0.210
document_3257 603.6970 603.6970 None 0.065 0.103
document_2373 517.2680 517.2680 None 0.064 0.111
document_3197 597.2880 597.2880 None 0.058 0.173
document_2403 521.2880 521.2880 None 0.052 0.228

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.