Mass2Motif: motif_21

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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 0.9316498151423998. 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_589.5500 0.278
fragment_590.5500 0.116
fragment_326.0500 0.069
fragment_325.0500 0.050
fragment_255.2500 0.034
fragment_379.3500 0.029
fragment_411.3500 0.027
fragment_327.0500 0.026
fragment_541.1500 0.019
loss_160.1500 0.017
fragment_578.1500 0.017
fragment_576.1500 0.017
fragment_727.4500 0.013
fragment_397.3500 0.011
fragment_418.1500 0.009
fragment_374.0500 0.009
loss_159.1500 0.009
fragment_542.1500 0.009
fragment_577.1500 0.008
loss_128.0500 0.007
fragment_676.1500 0.007
fragment_393.1500 0.006
fragment_265.2500 0.006
fragment_523.1500 0.006
loss_178.1500 0.006
fragment_294.2500 0.005
fragment_109.0500 0.005
loss_109.1500 0.005
fragment_307.0500 0.005
fragment_579.1500 0.004
loss_49.2500 0.004
fragment_296.0500 0.004
fragment_645.5500 0.004
fragment_339.2500 0.004
fragment_94.0500 0.003
fragment_772.1500 0.003
fragment_799.4500 0.003
fragment_393.3500 0.003
fragment_687.3500 0.003
fragment_135.1500 0.002
fragment_524.1500 0.002
fragment_586.4500 0.002
fragment_262.0500 0.002
loss_177.1500 0.002
fragment_483.0500 0.002
fragment_295.9500 0.002
fragment_219.5500 0.002
fragment_409.2500 0.002
fragment_380.3500 0.002
fragment_632.1500 0.002
fragment_140.8500 0.002
fragment_389.7500 0.002
fragment_111.1500 0.002
fragment_295.0500 0.002
fragment_659.3500 0.002
fragment_415.3500 0.002
fragment_121.1500 0.002
fragment_151.1500 0.002
fragment_233.2500 0.002
loss_161.8500 0.002
fragment_589.1500 0.002
fragment_493.1500 0.001
loss_88.0500 0.001
loss_108.1500 0.001
fragment_308.0500 0.001
fragment_112.1500 0.001
fragment_328.0500 0.001
fragment_587.4500 0.001
fragment_252.2500 0.001
fragment_861.7500 0.001
fragment_766.9500 0.001
loss_140.2500 0.001
fragment_344.0500 0.001
fragment_295.2500 0.001
loss_35.7500 0.001
fragment_631.8500 0.001
fragment_147.1500 0.001
fragment_746.6500 0.001
fragment_840.2500 0.001
fragment_777.9500 0.001
fragment_77.0500 0.001
fragment_149.1500 0.001
fragment_322.2500 0.001
fragment_247.2500 0.001
fragment_726.0500 0.001

Counts of Classyfire Substituent terms

Term name Count in motif Percentage in motif Percentage in experiment Absolute difference
Hydrocarbon derivative 32 100 100 0
Organooxygen compound 32 100 95.3 4.7
Organic nitrogen compound 17 53.1 55.6 2.5
Organonitrogen compound 17 53.1 54.1 1.0
Carbonyl group 16 50 44.0 6.0
Organopnictogen compound 13 40.6 45.2 4.6
Alcohol 8 25 14.7 10.3
Organoheterocyclic compound 5 15.6 13.3 2.3
Benzenoid 4 12.5 18.3 5.8
Oxacycle 4 12.5 7.9 4.6
Azacycle 3 9.4 22.6 13.2
Secondary alcohol 3 9.4 7.7 1.7
Carboxylic acid ester 2 6.3 1.8 4.4
Carboxamide group 1 3.1 5.5 2.4

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_3073 586.9810 586.9810 None 0.977 0.149
document_5491 795.3300 795.3300 None 0.911 0.050
document_4387 701.3160 701.3160 None 0.818 0.081
document_4828 720.1700 720.1700 None 0.736 0.108
document_3905 667.5980 667.5980 None 0.625 0.057
document_408 416.1700 416.1700 None 0.573 0.131
document_4948 730.5330 730.5330 None 0.508 0.397
document_3903 667.5980 667.5980 None 0.498 0.071
document_4942 730.5320 730.5320 None 0.494 0.408
document_4944 730.5320 730.5320 None 0.484 0.401
document_1793 479.2050 479.2050 None 0.479 0.103
document_4947 730.5330 730.5330 None 0.474 0.404
document_4945 730.5330 730.5330 None 0.470 0.402
document_4952 730.5330 730.5330 None 0.469 0.396
document_4949 730.5330 730.5330 None 0.467 0.400
document_4943 730.5330 730.5330 None 0.456 0.403
document_4951 730.5330 730.5330 None 0.454 0.400
document_1553 463.2100 463.2100 None 0.446 0.100
document_4950 730.5330 730.5330 None 0.439 0.402
document_4929 730.5100 730.5100 None 0.425 0.406
document_4946 730.5330 730.5330 None 0.421 0.397
document_4897 727.3760 727.3760 None 0.380 0.283
document_5874 1041.5520 1041.5520 None 0.378 0.050
document_4941 730.5330 730.5330 None 0.376 0.403
document_3015 580.4190 580.4190 None 0.265 0.040
document_3658 639.4050 639.4050 None 0.182 0.034
document_5928 1431.5950 1431.5950 None 0.170 0.291
document_5259 752.5140 752.5140 None 0.117 0.394
document_3315 610.5870 610.5870 ReSpect:PT212210 Cyanidin-3-O-(2''-O-beta-glucopyranosyl-beta-glucopyranoside)|Cy 3-Soph|cyanidin-3-sophoroside|(2S,3R,4S,5S,6R)-2-[(2S,3R,4S,5S,6R)-2-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromenylium-3-yl]oxy-4,5-di 0.112 0.034
document_5242 748.4810 748.4810 None 0.081 0.281
document_4966 733.2420 733.2420 None 0.057 0.050
document_1580 463.3000 463.3000 None 0.053 0.037

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.