Mass2Motif: motif_249

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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 0.9494844317716885. 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_281.1500 0.180
fragment_359.1500 0.178
fragment_167.1500 0.075
fragment_139.1500 0.052
loss_181.1500 0.051
fragment_360.1500 0.019
fragment_359.6500 0.016
fragment_62.0500 0.015
fragment_126.1500 0.015
fragment_113.0500 0.014
fragment_454.2500 0.014
loss_67.7500 0.014
loss_122.0500 0.014
fragment_447.3500 0.013
fragment_511.2500 0.012
fragment_329.2500 0.010
loss_120.1500 0.010
fragment_153.1500 0.010
loss_103.0500 0.009
loss_121.5500 0.009
fragment_473.1500 0.009
fragment_407.2500 0.008
loss_128.1500 0.008
loss_113.5500 0.008
fragment_140.1500 0.007
fragment_455.2500 0.007
fragment_303.0500 0.006
fragment_174.1500 0.006
fragment_287.2500 0.005
fragment_288.9500 0.005
fragment_656.2500 0.005
fragment_308.1500 0.005
loss_180.1500 0.004
loss_145.2500 0.004
loss_90.5500 0.004
fragment_288.1500 0.004
fragment_448.2500 0.004
fragment_335.0500 0.004
fragment_261.9500 0.004
fragment_127.1500 0.004
fragment_138.1500 0.004
loss_113.9500 0.004
fragment_55.0500 0.004
fragment_428.1500 0.004
fragment_52.7500 0.003
loss_53.0500 0.003
fragment_192.1500 0.003
loss_152.0500 0.003
fragment_217.1500 0.003
fragment_372.1500 0.003
loss_66.7500 0.003
fragment_638.3500 0.003
loss_52.0500 0.003
fragment_96.0500 0.003
loss_146.1500 0.003
fragment_474.2500 0.003
loss_121.1500 0.003
fragment_263.6500 0.002
fragment_657.2500 0.002
fragment_508.1500 0.002
fragment_425.2500 0.002
fragment_69.0500 0.002
loss_183.1500 0.002
fragment_529.2500 0.002
fragment_540.0500 0.002
fragment_595.2500 0.002
loss_144.1500 0.002
fragment_554.3500 0.002
loss_17.9500 0.002
fragment_526.1500 0.002
fragment_302.0500 0.002
fragment_592.2500 0.002
fragment_424.8500 0.002
loss_167.8500 0.002
fragment_544.2500 0.002
fragment_410.2500 0.002
fragment_406.2500 0.002
fragment_400.1500 0.002
fragment_293.2500 0.002
loss_105.5500 0.001
fragment_194.0500 0.001
fragment_571.8500 0.001
fragment_236.0500 0.001
loss_189.1500 0.001
fragment_286.0500 0.001
fragment_326.2500 0.001
fragment_377.1500 0.001
loss_173.2500 0.001
fragment_233.9500 0.001
loss_151.0500 0.001

Counts of Classyfire Substituent terms

Term name Count in motif Percentage in motif Percentage in experiment Absolute difference
Hydrocarbon derivative 56 100 100 0
Organooxygen compound 54 96.4 95.3 1.1
Organonitrogen compound 31 55.4 54.1 1.2
Organic nitrogen compound 30 53.6 55.6 2.1
Carbonyl group 26 46.4 44.0 2.4
Organopnictogen compound 23 41.1 45.2 4.2
Azacycle 20 35.7 22.6 13.1
Organoheterocyclic compound 13 23.2 13.3 9.9
Benzenoid 13 23.2 18.3 4.9
Oxacycle 7 12.5 7.9 4.6
Aromatic heteropolycyclic compound 7 12.5 9.6 2.9
Alcohol 5 8.9 14.7 5.7
Heteroaromatic compound 5 8.9 5.8 3.2
Secondary alcohol 4 7.1 7.7 0.6
Carboxamide group 4 7.1 5.5 1.7
Aliphatic acyclic compound 3 5.4 2.9 2.4
Amine 2 3.6 4.4 0.8
Acetal 2 3.6 1.5 2.1
Oxane 1 1.8 1.9 0.1
O-glycosyl compound 1 1.8 1.2 0.6
Polyol 1 1.8 1.6 0.2
Glycosyl compound 1 1.8 0.7 1.0

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_3485 628.4490 628.4490 None 0.935 0.088
document_1814 481.2270 481.2270 None 0.822 0.312
document_3852 662.3040 662.3040 None 0.782 0.232
document_191 407.2550 407.2550 None 0.754 0.072
document_2834 565.1300 565.1300 None 0.735 0.067
document_1714 473.2300 473.2300 None 0.656 0.289
document_5432 778.4020 778.4020 None 0.631 0.047
document_3469 626.3320 626.3320 None 0.587 0.222
document_2291 510.3740 510.3740 None 0.526 0.184
document_1879 488.9780 488.9780 None 0.466 0.018
document_1383 451.2100 451.2100 None 0.465 0.100
document_2602 542.1270 542.1270 None 0.463 0.190
document_2316 511.8330 511.8330 None 0.366 0.084
document_1395 452.4250 452.4250 None 0.300 0.072
document_224 410.1880 410.1880 None 0.268 0.187
document_2436 525.1900 525.1900 None 0.264 0.063
document_2491 529.3200 529.3200 None 0.244 0.208
document_2407 521.3510 521.3510 None 0.233 0.185
document_29 401.1930 401.1930 None 0.203 0.190
document_2311 511.3180 511.3180 None 0.199 0.180
document_239 411.2710 411.2710 None 0.187 0.197
document_2418 523.1290 523.1290 None 0.142 0.180
document_2421 523.2730 523.2730 None 0.136 0.187
document_1243 442.2660 442.2660 None 0.132 0.062
document_1699 472.2760 472.2760 None 0.128 0.210
document_4546 705.3990 705.3990 None 0.128 0.197
document_4289 691.3830 691.3830 None 0.124 0.177
document_2260 507.2500 507.2500 None 0.121 0.179
document_3447 624.3190 624.3190 None 0.120 0.179
document_708 427.1680 427.1680 None 0.103 0.078
document_276 413.2220 413.2220 None 0.100 0.180
document_3846 661.3720 661.3720 None 0.098 0.177
document_2929 570.3470 570.3470 None 0.091 0.177
document_343 413.2540 413.2540 None 0.090 0.186
document_416 417.2030 417.2030 None 0.086 0.075
document_4711 716.4770 716.4770 None 0.085 0.193
document_1887 486.2030 486.2030 None 0.084 0.183
document_3314 610.3390 610.3390 None 0.082 0.210
document_4477 703.3540 703.3540 None 0.081 0.181
document_484 419.2760 419.2760 None 0.081 0.180
document_1951 490.2760 490.2760 None 0.080 0.180
document_2637 545.3770 545.3770 None 0.077 0.182
document_3990 678.3220 678.3220 None 0.076 0.216
document_3711 644.2990 644.2990 None 0.072 0.186
document_2574 537.4880 537.4880 None 0.071 0.182
document_3132 591.2460 591.2460 None 0.071 0.182
document_4070 680.4260 680.4260 None 0.070 0.178
document_1247 443.2020 443.2020 None 0.068 0.355
document_5552 813.4610 813.4610 None 0.066 0.052
document_698 425.2210 425.2210 None 0.064 0.180
document_2904 567.3440 567.3440 None 0.064 0.075
document_754 428.4450 428.4450 None 0.058 0.052
document_3269 604.3790 604.3790 None 0.055 0.071
document_4184 689.6260 689.6260 None 0.052 0.056
document_4228 690.4010 690.4010 None 0.051 0.179
document_476 419.2760 419.2760 None 0.051 0.180

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.