Mass2Motif: motif_213

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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: Subset S. arenicola related mass2motif

Short Annotation: Subset S. arenicola 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 0.965270175948945. 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_589.4500 0.330
fragment_590.4500 0.107
fragment_452.4500 0.054
loss_153.5500 0.033
fragment_453.4500 0.024
fragment_591.4500 0.020
loss_163.0500 0.018
fragment_388.2500 0.017
fragment_247.1500 0.014
fragment_317.2500 0.014
fragment_375.2500 0.012
loss_152.5500 0.012
fragment_400.7500 0.011
loss_150.5500 0.011
loss_150.0500 0.011
fragment_585.3500 0.011
fragment_79.7500 0.011
fragment_565.4500 0.011
loss_141.5500 0.010
loss_119.9500 0.010
loss_182.0500 0.009
fragment_285.0500 0.007
fragment_574.3500 0.007
loss_65.9500 0.007
fragment_227.1500 0.006
fragment_121.0500 0.006
fragment_413.1500 0.006
loss_68.5500 0.006
fragment_482.7500 0.006
fragment_429.2500 0.006
loss_138.0500 0.006
fragment_262.1500 0.005
fragment_340.1500 0.004
fragment_586.3500 0.004
fragment_409.1500 0.004
fragment_80.6500 0.004
fragment_245.0500 0.004
fragment_628.1500 0.004
loss_29.3500 0.004
fragment_486.6500 0.003
loss_64.5500 0.003
fragment_324.1500 0.003
fragment_697.2500 0.003
loss_34.9500 0.003
fragment_516.2500 0.003
fragment_636.1500 0.003
fragment_151.1500 0.003
fragment_673.1500 0.003
fragment_719.7500 0.003
fragment_598.3500 0.003
fragment_723.5500 0.003
fragment_178.9500 0.003
loss_162.0500 0.003
fragment_243.2500 0.002
fragment_800.4500 0.002
fragment_914.4500 0.002
fragment_742.2500 0.002
fragment_766.9500 0.002
fragment_541.3500 0.002
loss_116.1500 0.002
fragment_797.6500 0.002
loss_140.5500 0.002
fragment_733.2500 0.002
fragment_566.4500 0.002
loss_77.0500 0.002
fragment_815.4500 0.002
fragment_474.1500 0.002
loss_31.9500 0.002
fragment_706.4500 0.002
fragment_323.2500 0.002
fragment_677.8500 0.002
fragment_669.3500 0.002
fragment_341.9500 0.002
fragment_864.4500 0.002
fragment_489.2500 0.002
fragment_252.2500 0.002
fragment_454.4500 0.002
fragment_766.4500 0.002
loss_151.5500 0.002
loss_151.1500 0.002
fragment_506.2500 0.002
fragment_817.2500 0.002
fragment_354.2500 0.002
fragment_745.4500 0.002
fragment_767.3500 0.002
fragment_605.3500 0.002
fragment_94.0500 0.002
fragment_294.2500 0.002
fragment_703.3500 0.001
fragment_455.0500 0.001
fragment_55.0500 0.001
fragment_591.2500 0.001
loss_66.1500 0.001
fragment_783.4500 0.001
loss_152.9500 0.001

Counts of Classyfire Substituent terms

Term name Count in motif Percentage in motif Percentage in experiment Absolute difference
Hydrocarbon derivative 22 100 100 0
Organooxygen compound 22 100 95.3 4.7
Carbonyl group 13 59.1 44.0 15.1
Alcohol 12 54.5 14.7 39.9
Organic nitrogen compound 9 40.9 55.6 14.7
Organonitrogen compound 9 40.9 54.1 13.2
Organopnictogen compound 6 27.3 45.2 18.0
Secondary alcohol 4 18.2 7.7 10.5
Organoheterocyclic compound 3 13.6 13.3 0.3
Azacycle 3 13.6 22.6 9.0
Oxacycle 2 9.1 7.9 1.2
Benzenoid 1 4.5 18.3 13.8
Aromatic heteropolycyclic compound 1 4.5 9.6 5.1
Carboxamide group 1 4.5 5.5 0.9
Oxane 1 4.5 1.9 2.6
Polyol 1 4.5 1.6 3.0
Glycosyl compound 1 4.5 0.7 3.8
Monosaccharide 1 4.5 0.1 4.5

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_3816 657.4670 657.4670 None 0.610 0.496
document_3817 657.4670 657.4670 None 0.592 0.487
document_2701 551.2640 551.2640 None 0.562 0.201
document_4558 707.0100 707.0100 None 0.556 0.073
document_3245 601.5140 601.5140 None 0.514 0.086
document_4927 730.4530 730.4530 None 0.353 0.474
document_4928 730.4760 730.4760 None 0.351 0.348
document_4930 730.4840 730.4840 None 0.349 0.338
document_1996 495.2120 495.2120 None 0.347 0.083
document_4926 730.4440 730.4440 None 0.325 0.464
document_3246 601.5150 601.5150 None 0.212 0.089
document_3141 592.4310 592.4310 None 0.151 0.079
document_4874 726.4010 726.4010 None 0.143 0.348
document_4938 730.4990 730.4990 None 0.129 0.466
document_4882 726.5540 726.5540 None 0.128 0.361
document_4939 730.4990 730.4990 None 0.100 0.464
document_5213 744.5140 744.5140 None 0.091 0.330
document_4940 730.4980 730.4980 None 0.090 0.336
document_5251 752.4800 752.4800 None 0.087 0.453
document_4937 730.5010 730.5010 None 0.082 0.467
document_5250 752.4320 752.4320 None 0.076 0.457
document_5214 744.5140 744.5140 None 0.067 0.330

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.