Mass2Motif: motif_109

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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 0.9427945743126446. 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
loss_32.0500 0.253
fragment_133.1500 0.091
loss_31.0500 0.079
fragment_763.3500 0.025
fragment_308.0500 0.022
loss_30.0500 0.016
fragment_418.2500 0.013
fragment_601.2500 0.012
fragment_636.2500 0.012
fragment_510.1500 0.012
fragment_759.4500 0.012
loss_162.5500 0.012
fragment_767.2500 0.012
fragment_743.4500 0.012
fragment_309.0500 0.012
fragment_134.1500 0.010
fragment_906.5500 0.009
loss_50.0500 0.009
fragment_481.1500 0.009
fragment_603.2500 0.009
fragment_768.3500 0.009
loss_28.0500 0.009
fragment_703.3500 0.008
loss_136.0500 0.008
fragment_299.9500 0.008
fragment_573.3500 0.008
fragment_764.3500 0.008
loss_108.0500 0.007
fragment_434.1500 0.007
loss_107.0500 0.007
fragment_744.4500 0.007
fragment_764.4500 0.007
fragment_635.2500 0.007
fragment_677.9500 0.007
fragment_907.5500 0.007
loss_188.3500 0.007
loss_197.1500 0.006
fragment_733.6500 0.006
loss_35.9500 0.006
fragment_461.1500 0.006
fragment_512.3500 0.006
fragment_511.1500 0.006
fragment_238.9500 0.006
fragment_602.2500 0.005
fragment_82.7500 0.004
fragment_229.9500 0.004
fragment_666.3500 0.004
fragment_474.2500 0.004
fragment_371.1500 0.004
fragment_289.1500 0.003
loss_185.1500 0.003
loss_162.3500 0.003
fragment_759.6500 0.003
fragment_482.1500 0.003
fragment_612.0500 0.003
loss_21.1500 0.003
fragment_464.1500 0.003
fragment_614.2500 0.003
fragment_675.3500 0.002
loss_34.0500 0.002
fragment_445.1500 0.002
fragment_218.1500 0.002
fragment_105.0500 0.002
fragment_294.1500 0.002
fragment_607.9500 0.002
fragment_203.8500 0.002
fragment_234.9500 0.002
loss_167.1500 0.002
loss_68.0500 0.002
loss_188.1500 0.002
fragment_466.1500 0.002
fragment_262.1500 0.002
loss_59.3500 0.002
loss_130.9500 0.002
fragment_733.8500 0.002
fragment_815.4500 0.002
loss_22.9500 0.002
fragment_604.2500 0.002
loss_29.0500 0.002
loss_104.1500 0.002
fragment_319.9500 0.002
fragment_72.0500 0.002
fragment_393.2500 0.002
fragment_686.4500 0.002
fragment_376.1500 0.002
fragment_516.3500 0.002
fragment_228.9500 0.002
loss_193.1500 0.001
fragment_523.9500 0.001
fragment_305.1500 0.001
fragment_217.1500 0.001
fragment_603.9500 0.001
loss_112.5500 0.001
loss_191.0500 0.001
loss_144.9500 0.001
loss_165.9500 0.001
fragment_571.4500 0.001
fragment_390.0500 0.001
loss_153.6500 0.001
fragment_668.7500 0.001
loss_47.6500 0.001
fragment_566.9500 0.001
fragment_562.7500 0.001
fragment_460.2500 0.001
loss_123.0500 0.001
fragment_846.4500 0.001
fragment_525.3500 0.001
fragment_349.1500 0.001
fragment_522.8500 0.001
fragment_390.1500 0.001
fragment_741.9500 0.001
loss_33.3500 0.001
fragment_908.5500 0.001
fragment_565.2500 0.001

Counts of Classyfire Substituent terms

Term name Count in motif Percentage in motif Percentage in experiment Absolute difference
Hydrocarbon derivative 39 100 100 0
Organooxygen compound 38 97.4 95.3 2.1
Organic nitrogen compound 23 59.0 55.6 3.3
Organonitrogen compound 23 59.0 54.1 4.9
Carbonyl group 20 51.3 44.0 7.3
Organopnictogen compound 13 33.3 45.2 11.9
Alcohol 10 25.6 14.7 11.0
Benzenoid 8 20.5 18.3 2.2
Azacycle 8 20.5 22.6 2.1
Organoheterocyclic compound 6 15.4 13.3 2.1
Aromatic heteropolycyclic compound 5 12.8 9.6 3.2
Secondary alcohol 4 10.3 7.7 2.5
Amine 3 7.7 4.4 3.3
Heteroaromatic compound 3 7.7 5.8 1.9
Carboxylic acid ester 2 5.1 1.8 3.3
Oxacycle 2 5.1 7.9 2.8
Carboxamide group 1 2.6 5.5 2.9
1-hydroxy-2-unsubstituted benzenoid 1 2.6 1.3 1.3
Aliphatic acyclic compound 1 2.6 2.9 0.4

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_5779 922.0130 922.0130 None 0.982 0.084
document_5495 795.4220 795.4220 None 0.977 0.379
document_2332 513.1660 513.1660 None 0.910 0.386
document_3525 633.2420 633.2420 None 0.896 0.394
document_5509 799.3240 799.3240 None 0.876 0.377
document_2610 542.1790 542.1790 None 0.862 0.378
document_1864 485.2880 485.2880 None 0.832 0.108
document_5489 795.3550 795.3550 None 0.789 0.386
document_5532 808.4770 808.4770 None 0.715 0.015
document_4588 709.4140 709.4140 None 0.704 0.084
document_1870 485.2900 485.2900 None 0.681 0.101
document_4736 716.4490 716.4490 None 0.587 0.133
document_2191 502.3140 502.3140 None 0.562 0.115
document_2685 550.2990 550.2990 None 0.534 0.107
document_3896 667.3200 667.3200 None 0.528 0.375
document_4553 705.4140 705.4140 None 0.413 0.334
document_4197 690.1780 690.1780 None 0.376 0.275
document_2035 497.1660 497.1660 None 0.343 0.059
document_2835 565.3360 565.3360 None 0.287 0.273
document_5541 811.3660 811.3660 None 0.266 0.265
document_5273 755.3610 755.3610 None 0.262 0.366
document_5099 739.2870 739.2870 None 0.254 0.266
document_4110 683.3550 683.3550 None 0.242 0.252
document_5272 755.3600 755.3600 None 0.219 0.349
document_524 421.1250 421.1250 MLS000876958-01!2-(3,4-dimethoxyphenyl)-5-hydroxy-3,6,7,8-tetramethoxychromen-4-one 0.219 0.254
document_5480 793.4050 793.4050 None 0.141 0.277
document_3483 628.3470 628.3470 None 0.136 0.364
document_2368 516.3360 516.3360 None 0.107 0.332
document_284 413.2150 413.2150 None 0.101 0.255
document_285 413.2140 413.2140 None 0.094 0.255
document_2771 557.3250 557.3250 None 0.094 0.092
document_303 413.2150 413.2150 None 0.093 0.275
document_1328 446.1870 446.1870 None 0.068 0.091
document_1920 487.3590 487.3590 None 0.062 0.091
document_1822 481.4000 481.4000 None 0.062 0.095
document_3833 659.4820 659.4820 None 0.062 0.079
document_1580 463.3000 463.3000 None 0.060 0.253
document_1427 455.2590 455.2590 None 0.059 0.253
document_2060 497.3590 497.3590 None 0.056 0.270

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.