Mass2Motif: motif_170

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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 0.9419058035830933. 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_118.0500 0.172
fragment_573.2500 0.143
fragment_275.0500 0.067
loss_72.0500 0.061
fragment_630.1500 0.055
fragment_377.0500 0.032
fragment_574.2500 0.022
fragment_888.3500 0.018
fragment_757.3500 0.018
fragment_631.1500 0.017
fragment_218.0500 0.013
fragment_514.1500 0.013
fragment_889.3500 0.012
fragment_632.1500 0.010
fragment_379.0500 0.010
fragment_482.0500 0.009
fragment_351.0500 0.009
loss_175.1500 0.009
loss_71.0500 0.008
fragment_870.2500 0.008
loss_147.1500 0.007
fragment_600.1500 0.007
fragment_325.1500 0.007
loss_124.0500 0.006
fragment_226.1500 0.006
fragment_521.2500 0.006
fragment_361.1500 0.006
loss_90.0500 0.006
loss_118.3500 0.006
fragment_483.0500 0.006
fragment_436.0500 0.006
fragment_378.0500 0.006
loss_133.3500 0.005
fragment_764.2500 0.005
fragment_546.1500 0.004
fragment_357.0500 0.004
fragment_125.0500 0.004
fragment_564.5500 0.004
loss_80.7500 0.004
fragment_515.1500 0.004
fragment_371.1500 0.003
fragment_759.3500 0.003
loss_193.1500 0.003
loss_137.6500 0.003
fragment_507.6500 0.003
fragment_758.3500 0.003
loss_114.5500 0.003
fragment_530.7500 0.003
loss_98.5500 0.003
fragment_107.9500 0.003
fragment_546.7500 0.003
fragment_119.0500 0.003
fragment_852.2500 0.003
fragment_575.2500 0.003
fragment_484.1500 0.003
loss_56.6500 0.002
fragment_845.6500 0.002
fragment_276.0500 0.002
fragment_172.0500 0.002
fragment_861.0500 0.002
loss_58.2500 0.002
fragment_207.6500 0.002
fragment_442.9500 0.002
fragment_465.9500 0.002
loss_179.2500 0.002
fragment_220.9500 0.002
fragment_331.0500 0.002
loss_148.3500 0.002
fragment_327.1500 0.002
fragment_357.1500 0.002
fragment_540.7500 0.002
loss_104.5500 0.002
loss_132.3500 0.002
fragment_568.1500 0.002
fragment_601.1500 0.002
fragment_419.0500 0.002
loss_107.0500 0.002
fragment_448.1500 0.002
fragment_493.1500 0.002
loss_144.0500 0.002
loss_197.1500 0.002
loss_152.1500 0.002
fragment_345.0500 0.002
fragment_996.2500 0.002
loss_165.6500 0.001
fragment_360.5500 0.001
loss_116.3500 0.001
fragment_871.2500 0.001
fragment_715.2500 0.001
fragment_382.0500 0.001
fragment_920.4500 0.001
fragment_746.2500 0.001
fragment_67.0500 0.001
fragment_363.0500 0.001
fragment_463.0500 0.001
loss_134.3500 0.001
fragment_719.2500 0.001
loss_63.0500 0.001
fragment_714.2500 0.001
fragment_347.0500 0.001
fragment_259.0500 0.001
fragment_925.8500 0.001
fragment_520.1500 0.001
loss_79.0500 0.001
fragment_950.5500 0.001
loss_169.0500 0.001
fragment_737.2500 0.001

Counts of Classyfire Substituent terms

Term name Count in motif Percentage in motif Percentage in experiment Absolute difference
Hydrocarbon derivative 36 100 100 0
Organooxygen compound 33 91.7 95.3 3.7
Organic nitrogen compound 22 61.1 55.6 5.5
Organopnictogen compound 21 58.3 45.2 13.1
Organonitrogen compound 21 58.3 54.1 4.2
Carbonyl group 15 41.7 44.0 2.4
Alcohol 9 25 14.7 10.3
Azacycle 7 19.4 22.6 3.2
Secondary alcohol 5 13.9 7.7 6.2
Organoheterocyclic compound 4 11.1 13.3 2.2
Benzenoid 4 11.1 18.3 7.2
Amine 3 8.3 4.4 4.0
Oxacycle 3 8.3 7.9 0.4
Carboxamide group 2 5.6 5.5 0.1
Aliphatic acyclic compound 2 5.6 2.9 2.6
Aromatic heteropolycyclic compound 2 5.6 9.6 4.1
Primary alcohol 1 2.8 0.9 1.9
Oxane 1 2.8 1.9 0.9
O-glycosyl compound 1 2.8 1.2 1.6
Polyol 1 2.8 1.6 1.2
Acetal 1 2.8 1.5 1.3
Glycosyl compound 1 2.8 0.7 2.0
Primary amine 1 2.8 0.5 2.3
Carboxylic acid ester 1 2.8 1.8 1.0
Heteroaromatic compound 1 2.8 5.8 3.0

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_4953 731.0970 731.0970 None 0.983 0.047
document_5731 888.3000 888.3000 None 0.971 0.083
document_5747 902.3150 902.3150 None 0.956 0.088
document_5730 888.2990 888.2990 None 0.892 0.094
document_3722 645.2730 645.2730 None 0.805 0.284
document_3724 645.2730 645.2730 None 0.799 0.247
document_2447 526.1720 526.1720 None 0.687 0.268
document_1784 479.4390 479.4390 None 0.646 0.209
document_3723 645.2720 645.2720 None 0.644 0.249
document_5602 825.3070 825.3070 None 0.568 0.086
document_5774 919.3880 919.3880 None 0.541 0.034
document_1596 464.1740 464.1740 None 0.524 0.175
document_5756 906.3140 906.3140 None 0.512 0.049
document_4586 709.2370 709.2370 None 0.509 0.173
document_3689 641.2390 641.2390 None 0.493 0.168
document_3034 583.1090 583.1090 None 0.370 0.070
document_212 409.1800 409.1800 None 0.246 0.181
document_151 405.0160 405.0160 None 0.216 0.175
document_3720 645.2410 645.2410 None 0.202 0.213
document_450 419.0340 419.0340 None 0.174 0.175
document_2436 525.1900 525.1900 None 0.134 0.070
document_51 401.2470 401.2470 None 0.124 0.071
document_1756 476.1880 476.1880 None 0.122 0.175
document_2217 505.2460 505.2460 None 0.120 0.177
document_2764 557.2100 557.2100 None 0.115 0.067
document_2655 546.4000 546.4000 None 0.109 0.172
document_3604 637.2750 637.2750 None 0.094 0.143
document_2581 539.7860 539.7860 None 0.088 0.073
document_5559 816.4160 816.4160 None 0.078 0.168
document_4387 701.3160 701.3160 None 0.077 0.145
document_2065 498.1770 498.1770 None 0.077 0.180
document_4656 715.3440 715.3440 None 0.076 0.176
document_3400 617.1900 617.1900 None 0.072 0.067
document_674 423.2030 423.2030 None 0.070 0.172
document_2652 546.3980 546.3980 None 0.068 0.013
document_84 401.2850 401.2850 None 0.058 0.172

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.