Mass2Motif: motif_159

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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 0.9255663575261758. 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_226.0500 0.556
fragment_227.0500 0.125
fragment_156.1500 0.076
fragment_90.9500 0.016
fragment_158.9500 0.013
loss_174.0500 0.011
loss_164.1500 0.010
loss_46.1500 0.007
fragment_383.0500 0.007
fragment_228.0500 0.006
fragment_123.4500 0.005
loss_117.5500 0.005
fragment_157.1500 0.004
loss_183.9500 0.003
fragment_304.0500 0.003
fragment_128.9500 0.003
loss_84.0500 0.003
fragment_255.1500 0.003
fragment_295.5500 0.002
loss_133.6500 0.002
fragment_266.2500 0.002
fragment_273.7500 0.002
loss_189.5500 0.002
loss_150.2500 0.002
fragment_278.9500 0.002
loss_117.8500 0.002
loss_134.0500 0.002
fragment_230.0500 0.002
fragment_231.9500 0.002
loss_197.2500 0.002
loss_197.7500 0.002
loss_155.1500 0.002
fragment_386.0500 0.002
loss_43.1500 0.002
fragment_305.1500 0.002
fragment_216.1500 0.002
fragment_391.0500 0.002
loss_176.0500 0.002
fragment_111.1500 0.002
fragment_64.9500 0.001
loss_63.0500 0.001
loss_148.5500 0.001
loss_136.0500 0.001
loss_45.1500 0.001
fragment_384.0500 0.001
fragment_370.2500 0.001
fragment_280.6500 0.001
loss_38.2500 0.001
loss_116.5500 0.001
fragment_200.1500 0.001
fragment_206.8500 0.001
loss_109.1500 0.001
fragment_157.0500 0.001
loss_134.2500 0.001
fragment_295.1500 0.001
fragment_91.1500 0.001
fragment_320.0500 0.001
fragment_215.1500 0.001
fragment_222.0500 0.001
fragment_307.9500 0.001
loss_157.3500 0.001
fragment_271.8500 0.001
fragment_294.1500 0.001

Counts of Classyfire Substituent terms

Term name Count in motif Percentage in motif Percentage in experiment Absolute difference
Hydrocarbon derivative 57 100 100 0
Organooxygen compound 55 96.5 95.3 1.2
Organic nitrogen compound 30 52.6 55.6 3.0
Organonitrogen compound 30 52.6 54.1 1.5
Organopnictogen compound 27 47.4 45.2 2.1
Carbonyl group 20 35.1 44.0 8.9
Benzenoid 17 29.8 18.3 11.5
Azacycle 16 28.1 22.6 5.5
Aromatic heteropolycyclic compound 8 14.0 9.6 4.4
Organoheterocyclic compound 4 7.0 13.3 6.3
Amine 3 5.3 4.4 0.9
Alcohol 3 5.3 14.7 9.4
Heteroaromatic compound 2 3.5 5.8 2.2
Oxacycle 2 3.5 7.9 4.4
Carboxamide group 1 1.8 5.5 3.7
Secondary alcohol 1 1.8 7.7 6.0
Aliphatic acyclic compound 1 1.8 2.9 1.2

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_772 429.1780 429.1780 None 0.923 0.701
document_795 429.1790 429.1790 None 0.855 0.701
document_781 429.1790 429.1790 None 0.848 0.710
document_764 429.1790 429.1790 None 0.844 0.709
document_791 429.1790 429.1790 None 0.815 0.717
document_794 429.1790 429.1790 None 0.793 0.689
document_775 429.1790 429.1790 None 0.783 0.681
document_789 429.1790 429.1790 None 0.780 0.683
document_793 429.1790 429.1790 None 0.772 0.685
document_784 429.1790 429.1790 None 0.765 0.711
document_778 429.1790 429.1790 None 0.754 0.724
document_763 429.1780 429.1780 None 0.742 0.690
document_788 429.1790 429.1790 None 0.723 0.682
document_1060 433.2790 433.2790 None 0.721 0.084
document_4892 727.3450 727.3450 None 0.705 0.080
document_785 429.1790 429.1790 None 0.703 0.708
document_768 429.3570 429.3570 None 0.700 0.695
document_797 429.1790 429.1790 None 0.693 0.559
document_786 429.1790 429.1790 None 0.690 0.683
document_780 429.1790 429.1790 None 0.674 0.718
document_774 429.1790 429.1790 None 0.671 0.698
document_4891 727.3450 727.3450 None 0.665 0.081
document_771 429.1790 429.1790 None 0.662 0.688
document_1066 433.2820 433.2820 None 0.643 0.082
document_1359 449.2750 449.2750 None 0.633 0.084
document_792 429.1790 429.1790 None 0.633 0.710
document_783 429.1790 429.1790 None 0.623 0.571
document_1242 442.2560 442.2560 None 0.621 0.681
document_756 429.1750 429.1750 None 0.604 0.730
document_767 429.1790 429.1790 None 0.594 0.710
document_787 429.1790 429.1790 None 0.588 0.615
document_770 429.5390 429.5390 None 0.579 0.759
document_776 429.1790 429.1790 None 0.579 0.681
document_765 429.1780 429.1780 None 0.569 0.734
document_777 429.1780 429.1780 None 0.544 0.693
document_779 429.1780 429.1780 None 0.538 0.698
document_755 429.1650 429.1650 None 0.534 0.729
document_796 429.1790 429.1790 None 0.521 0.681
document_773 429.1780 429.1780 None 0.435 0.690
document_259 413.1980 413.1980 None 0.425 0.681
document_744 428.8720 428.8720 None 0.399 0.684
document_790 429.1950 429.1950 None 0.372 0.556
document_798 429.1800 429.1800 None 0.322 0.561
document_766 429.3500 429.3500 None 0.311 0.599
document_1672 469.6430 469.6430 None 0.299 0.683
document_742 428.8320 428.8320 None 0.267 0.600
document_1586 463.3010 463.3010 None 0.239 0.046
document_155 405.1790 405.1790 None 0.202 0.558
document_745 428.0090 428.0090 None 0.169 0.677
document_749 428.4680 428.4680 None 0.117 0.569
document_1668 469.2590 469.2590 None 0.107 0.574
document_1588 463.3010 463.3010 None 0.095 0.039
document_1027 432.1790 432.1790 None 0.079 0.684
document_3223 600.3440 600.3440 None 0.067 0.682
document_1608 465.2380 465.2380 None 0.057 0.085
document_2649 546.2920 546.2920 None 0.057 0.076
document_782 429.8200 429.8200 None 0.055 0.557

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.