Mass2Motif: motif_296

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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: 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 0.9553378717229418. 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_314.1500 0.232
fragment_246.0500 0.142
fragment_313.1500 0.072
fragment_331.1500 0.072
fragment_203.1500 0.032
fragment_183.0500 0.025
fragment_315.1500 0.022
loss_27.9500 0.021
loss_54.0500 0.019
fragment_296.1500 0.019
fragment_598.2500 0.019
fragment_368.1500 0.016
fragment_297.1500 0.016
fragment_408.1500 0.015
fragment_554.2500 0.014
fragment_328.0500 0.013
fragment_616.2500 0.012
fragment_602.2500 0.012
fragment_469.1500 0.010
fragment_332.2500 0.008
fragment_356.0500 0.008
fragment_186.1500 0.008
fragment_620.2500 0.007
fragment_163.1500 0.007
fragment_256.2500 0.007
fragment_617.2500 0.007
fragment_569.2500 0.006
fragment_634.2500 0.006
fragment_353.2500 0.006
fragment_111.0500 0.006
fragment_240.0500 0.005
fragment_603.2500 0.005
fragment_71.1500 0.005
fragment_206.0500 0.005
loss_53.0500 0.005
fragment_340.0500 0.004
fragment_69.0500 0.004
fragment_274.0500 0.003
fragment_599.2500 0.003
fragment_484.2500 0.003
loss_72.0500 0.003
fragment_129.0500 0.003
fragment_448.1500 0.003
fragment_621.2500 0.003
loss_84.0500 0.003
fragment_384.1500 0.002
fragment_362.0500 0.002
fragment_512.2500 0.002
fragment_584.2500 0.002
fragment_572.2500 0.002
fragment_247.0500 0.002
fragment_241.0500 0.002
fragment_128.0500 0.002
fragment_462.1500 0.002
fragment_324.8500 0.002
fragment_212.1500 0.002
fragment_161.0500 0.002
fragment_329.0500 0.002
fragment_238.1500 0.002
fragment_466.1500 0.001
fragment_255.1500 0.001
fragment_380.1500 0.001
fragment_289.1500 0.001
fragment_485.1500 0.001
fragment_83.0500 0.001
fragment_81.8500 0.001
fragment_311.1500 0.001
fragment_365.6500 0.001
fragment_287.1500 0.001
fragment_61.6500 0.001

Counts of Classyfire Substituent terms

Term name Count in motif Percentage in motif Percentage in experiment Absolute difference
Hydrocarbon derivative 34 100 100 0
Organooxygen compound 34 100 95.3 4.7
Organic nitrogen compound 24 70.6 55.6 15.0
Organonitrogen compound 23 67.6 54.1 13.5
Organopnictogen compound 21 61.8 45.2 16.5
Carbonyl group 20 58.8 44.0 14.8
Organoheterocyclic compound 10 29.4 13.3 16.1
Azacycle 10 29.4 22.6 6.8
Benzenoid 8 23.5 18.3 5.2
Alcohol 7 20.6 14.7 5.9
Aromatic heteropolycyclic compound 6 17.6 9.6 8.0
Carboxamide group 6 17.6 5.5 12.2
Amine 6 17.6 4.4 13.3
Oxacycle 5 14.7 7.9 6.8
Secondary alcohol 4 11.8 7.7 4.1
Heteroaromatic compound 2 5.9 5.8 0.1
Carboxylic acid ester 1 2.9 1.8 1.1

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_4130 683.4650 683.4650 None 0.889 0.468
document_4363 697.4810 697.4810 None 0.877 0.469
document_4132 683.4690 683.4690 None 0.875 0.416
document_4365 697.4840 697.4840 None 0.777 0.432
document_3028 582.2780 582.2780 None 0.665 0.378
document_3535 634.2640 634.2640 None 0.658 0.244
document_3786 652.2760 652.2760 None 0.623 0.293
document_3197 597.2880 597.2880 None 0.572 0.391
document_3807 656.3100 656.3100 Rifamycin W 0.491 0.451
document_1366 450.2400 450.2400 None 0.456 0.273
document_2908 568.2610 568.2610 None 0.432 0.312
document_3805 656.2580 656.2580 Rifamycin W 0.235 0.152
document_2691 551.0860 551.0860 None 0.193 0.304
document_3534 634.2070 634.2070 None 0.173 0.149
document_3749 647.3540 647.3540 None 0.167 0.304
document_3536 634.2650 634.2650 None 0.131 0.191
document_4921 727.8370 727.8370 None 0.123 0.466
document_308 413.2290 413.2290 None 0.122 0.149
document_3216 599.3030 599.3030 None 0.121 0.276
document_3774 651.2640 651.2640 None 0.098 0.439
document_2728 554.1510 554.1510 None 0.096 0.232
document_1631 467.1660 467.1660 None 0.090 0.144
document_3587 635.3400 635.3400 None 0.086 0.329
document_1976 493.1510 493.1510 None 0.080 0.144
document_2828 564.2950 564.2950 None 0.074 0.256
document_725 427.0740 427.0740 None 0.064 0.144
document_681 423.7050 423.7050 None 0.063 0.049
document_1904 487.2900 487.2900 None 0.057 0.306
document_2766 557.6970 557.6970 None 0.057 0.234
document_328 413.2540 413.2540 None 0.056 0.164
document_3853 662.3320 662.3320 None 0.055 0.077
document_2271 507.3040 507.3040 None 0.054 0.087
document_3013 580.2980 580.2980 None 0.053 0.288
document_2086 498.8970 498.8970 None 0.052 0.072

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.