Mass2Motif: motif_262

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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 0.9438763706487531. 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_270.1500 0.150
fragment_181.1500 0.111
fragment_229.0500 0.059
fragment_466.2500 0.054
fragment_247.0500 0.049
fragment_653.4500 0.033
fragment_355.2500 0.031
loss_75.0500 0.023
loss_101.9500 0.020
loss_180.1500 0.015
fragment_550.2500 0.015
fragment_359.7500 0.015
loss_162.1500 0.015
loss_178.8500 0.014
fragment_316.7500 0.014
fragment_999.8500 0.014
loss_133.7500 0.011
fragment_84.9500 0.008
loss_84.8500 0.008
fragment_356.2500 0.008
loss_161.9500 0.008
fragment_201.0500 0.008
fragment_654.4500 0.008
fragment_479.1500 0.007
loss_98.3500 0.007
fragment_230.0500 0.006
fragment_226.1500 0.006
fragment_554.3500 0.006
loss_60.6500 0.006
fragment_571.2500 0.006
fragment_225.1500 0.006
fragment_338.2500 0.006
loss_96.5500 0.006
fragment_909.4500 0.005
loss_174.5500 0.005
fragment_647.9500 0.005
loss_110.4500 0.005
fragment_856.4500 0.005
fragment_991.3500 0.005
fragment_308.1500 0.005
loss_126.6500 0.005
fragment_227.0500 0.005
fragment_217.1500 0.005
loss_179.1500 0.005
loss_180.8500 0.004
loss_74.0500 0.004
fragment_248.0500 0.004
fragment_551.2500 0.004
fragment_670.8500 0.004
loss_122.8500 0.004
fragment_978.9500 0.004
fragment_360.7500 0.004
fragment_836.3500 0.004
loss_111.8500 0.004
fragment_989.9500 0.004
loss_161.0500 0.004
fragment_957.9500 0.004
loss_143.8500 0.004
fragment_848.5500 0.004
loss_82.1500 0.003
fragment_157.0500 0.003
fragment_208.1500 0.003
loss_188.2500 0.003
fragment_261.1500 0.003
fragment_144.9500 0.003
fragment_77.0500 0.003
fragment_667.1500 0.003
loss_74.5500 0.003
fragment_360.2500 0.003
loss_160.8500 0.003
fragment_384.2500 0.002
fragment_480.1500 0.002
loss_173.6500 0.002
fragment_512.2500 0.002
fragment_372.0500 0.002
fragment_509.0500 0.002
fragment_98.0500 0.002
fragment_663.3500 0.002
loss_161.1500 0.002
loss_51.9500 0.002
fragment_780.3500 0.002
fragment_242.1500 0.002
loss_131.1500 0.002
fragment_114.9500 0.002
fragment_611.3500 0.002
fragment_232.6500 0.002
fragment_442.1500 0.001
loss_160.9500 0.001
fragment_287.1500 0.001
fragment_270.0500 0.001
loss_112.0500 0.001
fragment_910.4500 0.001
fragment_231.0500 0.001
loss_114.2500 0.001
fragment_778.9500 0.001
loss_117.0500 0.001
loss_132.5500 0.001
fragment_665.4500 0.001

Counts of Classyfire Substituent terms

Term name Count in motif Percentage in motif Percentage in experiment Absolute difference
Hydrocarbon derivative 49 100 100 0
Organooxygen compound 49 100 95.3 4.7
Organic nitrogen compound 30 61.2 55.6 5.6
Organonitrogen compound 30 61.2 54.1 7.1
Organopnictogen compound 25 51.0 45.2 5.8
Carbonyl group 21 42.9 44.0 1.2
Azacycle 10 20.4 22.6 2.2
Alcohol 7 14.3 14.7 0.4
Benzenoid 7 14.3 18.3 4.1
Heteroaromatic compound 4 8.2 5.8 2.4
Aromatic heteropolycyclic compound 4 8.2 9.6 1.5
Secondary alcohol 3 6.1 7.7 1.6
Carboxamide group 2 4.1 5.5 1.4
Organoheterocyclic compound 1 2.0 13.3 11.3
Oxacycle 1 2.0 7.9 5.9
Carboxylic acid ester 1 2.0 1.8 0.2
Phenol 1 2.0 0.5 1.6

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_5897 1101.7730 1101.7730 None 1.000 0.259
document_213 409.1790 409.1790 None 0.973 0.173
document_181 407.9460 407.9460 None 0.844 0.151
document_5759 911.5070 911.5070 None 0.804 0.188
document_1075 434.7980 434.7980 None 0.761 0.110
document_182 409.0630 409.0630 (2R,3R,4S,6R)-2-((10-hydroxy-2,2-dimethyl-3,4-dihydro-2H-benzo[g]chromen-5-yl)oxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol 0.707 0.150
document_3861 663.3110 663.3110 None 0.525 0.037
document_3361 613.3540 613.3540 None 0.505 0.191
document_5760 911.5080 911.5080 None 0.423 0.045
document_2460 526.8380 526.8380 None 0.358 0.077
document_208 408.4550 408.4550 None 0.336 0.125
document_5671 849.5680 849.5680 None 0.333 0.093
document_3357 613.3510 613.3510 None 0.326 0.253
document_2366 516.3020 516.3020 None 0.318 0.195
document_5613 835.5500 835.5500 None 0.283 0.093
document_3248 602.3360 602.3360 None 0.263 0.069
document_2666 548.3400 548.3400 None 0.252 0.189
document_4150 686.3930 686.3930 None 0.221 0.111
document_1473 457.7520 457.7520 None 0.205 0.118
document_3360 613.3540 613.3540 None 0.201 0.160
document_46 401.2470 401.2470 None 0.179 0.119
document_1699 472.2760 472.2760 None 0.166 0.196
document_1512 459.3290 459.3290 None 0.159 0.113
document_66 401.2470 401.2470 None 0.152 0.117
document_342 413.2580 413.2580 None 0.140 0.043
document_849 429.3180 429.3180 None 0.128 0.113
document_1484 458.6940 458.6940 None 0.122 0.111
document_847 429.3180 429.3180 None 0.112 0.113
document_2711 551.3550 551.3550 None 0.103 0.056
document_5463 786.4900 786.4900 None 0.102 0.041
document_2494 529.3110 529.3110 None 0.100 0.153
document_2491 529.3200 529.3200 None 0.100 0.152
document_808 429.2430 429.2430 None 0.098 0.130
document_845 429.3180 429.3180 None 0.098 0.111
document_167 407.9600 407.9600 None 0.096 0.150
document_842 429.3180 429.3180 None 0.091 0.149
document_733 427.2450 427.2450 None 0.090 0.111
document_2630 545.2890 545.2890 None 0.089 0.157
document_2631 545.2910 545.2910 None 0.070 0.150
document_263 413.2080 413.2080 None 0.069 0.111
document_3057 586.1890 586.1890 None 0.067 0.173
document_2585 540.7080 540.7080 None 0.067 0.016
document_2439 525.2890 525.2890 None 0.063 0.054
document_1982 493.2780 493.2780 None 0.061 0.163
document_1352 449.2410 449.2410 None 0.059 0.170
document_1583 463.3010 463.3010 None 0.057 0.023
document_2033 497.1690 497.1690 None 0.052 0.150
document_159 405.2930 405.2930 None 0.050 0.150
document_2927 570.2820 570.2820 None 0.050 0.028

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.