Mass2Motif: motif_18

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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 0.9703326817906174. 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_301.1500 0.320
fragment_205.0500 0.247
loss_194.1500 0.137
loss_112.0500 0.087
fragment_219.0500 0.053
loss_128.1500 0.009
fragment_351.1500 0.007
loss_76.0500 0.007
fragment_182.0500 0.006
fragment_266.2500 0.006
fragment_169.0500 0.006
fragment_332.0500 0.006
fragment_206.0500 0.005
loss_81.1500 0.005
fragment_183.0500 0.005
fragment_190.9500 0.004
loss_44.0500 0.004
loss_146.1500 0.003
fragment_170.0500 0.003
loss_89.2500 0.003
fragment_323.9500 0.003
fragment_52.9500 0.003
fragment_157.9500 0.003
fragment_220.0500 0.002
fragment_303.1500 0.002
fragment_202.0500 0.002
loss_111.0500 0.002
loss_188.5500 0.002
fragment_224.6500 0.002
fragment_97.9500 0.002
loss_64.0500 0.002
loss_193.1500 0.002
fragment_302.1500 0.002
fragment_148.0500 0.002
fragment_349.1500 0.002
fragment_242.5500 0.001
fragment_138.6500 0.001
loss_69.0500 0.001
loss_170.6500 0.001
loss_183.1500 0.001
loss_149.2500 0.001
fragment_263.9500 0.001
fragment_266.1500 0.001
fragment_203.0500 0.001
fragment_213.9500 0.001
loss_89.1500 0.001

Counts of Classyfire Substituent terms

Term name Count in motif Percentage in motif Percentage in experiment Absolute difference
Hydrocarbon derivative 83 100 100 0
Organooxygen compound 83 100 95.3 4.7
Organonitrogen compound 39 47.0 54.1 7.1
Organic nitrogen compound 37 44.6 55.6 11.1
Organopnictogen compound 29 34.9 45.2 10.3
Carbonyl group 24 28.9 44.0 15.1
Benzenoid 23 27.7 18.3 9.4
Aromatic heteropolycyclic compound 21 25.3 9.6 15.7
Azacycle 16 19.3 22.6 3.3
Heteroaromatic compound 12 14.5 5.8 8.7
Oxacycle 10 12.0 7.9 4.1
Organoheterocyclic compound 9 10.8 13.3 2.5
Alcohol 5 6.0 14.7 8.6
Amine 5 6.0 4.4 1.7
1-hydroxy-2-unsubstituted benzenoid 4 4.8 1.3 3.5
1-hydroxy-4-unsubstituted benzenoid 2 2.4 0.2 2.2
Carboxamide group 2 2.4 5.5 3.1
Oxane 1 1.2 1.9 0.7
Secondary alcohol 1 1.2 7.7 6.5
Polyol 1 1.2 1.6 0.4
Phenol 1 1.2 0.5 0.7

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_2996 579.2530 579.2530 None 0.812 0.324
document_295 413.2150 413.2150 None 0.745 0.848
document_2997 577.4820 577.4820 None 0.728 0.322
document_335 413.2490 413.2490 None 0.697 0.453
document_282 413.2200 413.2200 None 0.653 0.809
document_3006 579.9950 579.9950 None 0.652 0.322
document_297 413.2150 413.2150 None 0.651 0.885
document_296 413.2180 413.2180 None 0.628 0.807
document_303 413.2150 413.2150 None 0.627 0.859
document_294 413.2150 413.2150 MLS001060855-01! 0.605 0.801
document_284 413.2150 413.2150 None 0.556 0.814
document_287 413.2150 413.2150 None 0.520 0.808
document_286 413.2150 413.2150 None 0.517 0.854
document_285 413.2140 413.2140 None 0.515 0.871
document_283 413.2140 413.2140 None 0.507 0.860
document_298 413.2150 413.2150 Massbank:CE000164 S,R-Noscapine 0.487 0.388
document_2375 517.3030 517.3030 None 0.474 0.324
document_293 413.2150 413.2150 None 0.470 0.395
document_289 413.2150 413.2150 None 0.337 0.413
document_48 401.2490 401.2490 None 0.313 0.436
document_304 413.2150 413.2150 None 0.274 0.443
document_837 429.3010 429.3010 None 0.267 0.331
document_278 413.2110 413.2110 None 0.252 0.410
document_4291 691.4180 691.4180 None 0.250 0.321
document_708 427.1680 427.1680 None 0.234 0.411
document_51 401.2470 401.2470 None 0.229 0.384
document_288 413.2150 413.2150 None 0.199 0.383
document_58 401.2470 401.2470 None 0.190 0.254
document_740 427.2450 427.2450 None 0.180 0.320
document_47 401.2470 401.2470 None 0.176 0.247
document_56 401.2470 401.2470 None 0.172 0.384
document_57 401.2470 401.2470 None 0.166 0.247
document_301 413.2170 413.2170 None 0.164 0.596
document_24 401.1330 401.1330 None 0.163 0.461
document_339 413.2460 413.2460 None 0.154 0.321
document_338 413.2460 413.2460 None 0.144 0.481
document_322 413.2370 413.2370 None 0.139 0.320
document_832 429.2640 429.2640 None 0.137 0.330
document_308 413.2290 413.2290 None 0.137 0.252
document_305 413.2180 413.2180 None 0.136 0.407
document_3287 607.5660 607.5660 None 0.131 0.320
document_59 401.2470 401.2470 None 0.129 0.247
document_1133 437.2300 437.2300 None 0.121 0.318
document_1382 451.4220 451.4220 None 0.120 0.325
document_25 401.1340 401.1340 None 0.119 0.321
document_462 419.2470 419.2470 None 0.118 0.320
document_2660 547.2130 547.2130 None 0.110 0.572
document_3176 595.3790 595.3790 None 0.110 0.320
document_3305 609.3380 609.3380 None 0.102 0.087
document_2500 530.3020 530.3020 None 0.101 0.253
document_3175 595.3790 595.3790 None 0.095 0.320
document_3669 639.4080 639.4080 None 0.094 0.325
document_326 413.2600 413.2600 None 0.092 0.320
document_64 401.2470 401.2470 None 0.091 0.247
document_340 413.2540 413.2540 None 0.088 0.320
document_279 413.2180 413.2180 None 0.087 0.406
document_3415 619.3630 619.3630 None 0.086 0.321
document_342 413.2580 413.2580 None 0.082 0.319
document_274 413.2140 413.2140 None 0.082 0.193
document_275 413.2110 413.2110 None 0.080 0.436
document_2757 556.3030 556.3030 None 0.076 0.325
document_2598 541.1960 541.1960 None 0.075 0.247
document_341 413.2560 413.2560 None 0.075 0.320
document_2363 516.3100 516.3100 None 0.074 0.566
document_2412 522.2190 522.2190 None 0.072 0.249
document_1642 468.1820 468.1820 None 0.072 0.253
document_1832 482.1850 482.1850 None 0.070 0.320
document_2414 522.2190 522.2190 None 0.070 0.247
document_327 413.2390 413.2390 None 0.068 0.324
document_27 401.1340 401.1340 None 0.066 0.321
document_2383 518.3140 518.3140 None 0.063 0.328
document_5007 734.3950 734.3950 None 0.062 0.320
document_1381 451.6590 451.6590 None 0.062 0.319
document_1291 443.7490 443.7490 None 0.059 0.320
document_26 401.2820 401.2820 None 0.058 0.322
document_1971 492.2470 492.2470 None 0.058 0.258
document_3844 661.3200 661.3200 None 0.056 0.322
document_1583 463.3010 463.3010 None 0.055 0.320
document_1 299.9970 299.9970 None 0.054 0.247
document_3407 618.3310 618.3310 None 0.053 0.327
document_370 413.2800 413.2800 None 0.052 0.317
document_1743 475.2870 475.2870 None 0.052 0.404
document_186 408.4920 408.4920 None 0.051 0.247

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.