Mass2Motif: motif_160

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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 0.9905967789682782. 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_321.1500 0.607
fragment_146.9500 0.238
fragment_322.1500 0.085
fragment_221.0500 0.037
fragment_141.0500 0.007
fragment_203.0500 0.006
fragment_147.9500 0.005
fragment_323.1500 0.002
loss_197.2500 0.001
fragment_223.9500 0.001
fragment_261.5500 0.001
loss_159.6500 0.001

Counts of Classyfire Substituent terms

Term name Count in motif Percentage in motif Percentage in experiment Absolute difference
Hydrocarbon derivative 160 100 100 0
Organooxygen compound 154 96.3 95.3 0.9
Benzenoid 73 45.6 18.3 27.3
Organic nitrogen compound 72 45 55.6 10.6
Organonitrogen compound 68 42.5 54.1 11.6
Organopnictogen compound 41 25.6 45.2 19.6
Aromatic heteropolycyclic compound 38 23.8 9.6 14.1
Heteroaromatic compound 35 21.9 5.8 16.1
Carbonyl group 30 18.8 44.0 25.3
Azacycle 25 15.6 22.6 7.0
Alcohol 6 3.8 14.7 10.9
Oxacycle 6 3.8 7.9 4.2
Organoheterocyclic compound 6 3.8 13.3 9.6
Oxane 3 1.9 1.9 0.0
Carboxamide group 2 1.3 5.5 4.2
Secondary alcohol 2 1.3 7.7 6.5
O-glycosyl compound 2 1.3 1.2 0.1
Polyol 2 1.3 1.6 0.3
Acetal 2 1.3 1.5 0.2
Amine 1 0.6 4.4 3.7
Carboxylic acid ester 1 0.6 1.8 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_5565 819.4680 819.4680 None 0.582 0.983
document_1072 435.2000 435.2000 None 0.521 0.985
document_1071 435.1900 435.1900 None 0.498 0.980
document_1095 435.2110 435.2110 None 0.494 0.966
document_543 421.2300 421.2300 None 0.482 0.856
document_1090 435.2110 435.2110 None 0.466 0.943
document_569 421.2380 421.2380 None 0.460 0.981
document_1491 458.2930 458.2930 None 0.455 0.694
document_564 421.2320 421.2320 None 0.453 0.977
document_558 421.2320 421.2320 None 0.451 0.983
document_1085 435.2110 435.2110 None 0.448 0.980
document_1092 435.2130 435.2130 None 0.448 0.966
document_583 421.2320 421.2320 None 0.447 0.975
document_1106 435.2120 435.2120 None 0.445 0.974
document_1074 434.6530 434.6530 None 0.445 0.974
document_589 421.2330 421.2330 None 0.444 0.885
document_1101 435.2120 435.2120 None 0.444 0.973
document_1083 435.2120 435.2120 None 0.443 0.974
document_1088 435.2110 435.2110 None 0.443 0.936
document_555 421.2320 421.2320 None 0.441 0.976
document_605 421.2340 421.2340 None 0.439 0.891
document_573 421.2320 421.2320 None 0.437 0.975
document_432 421.0950 421.0950 None 0.436 0.986
document_579 421.2320 421.2320 None 0.436 0.983
document_639 421.2340 421.2340 None 0.435 0.893
document_1093 435.2110 435.2110 None 0.435 0.936
document_1086 435.2110 435.2110 None 0.433 0.973
document_556 421.2320 421.2320 None 0.433 0.970
document_597 421.2320 421.2320 None 0.430 0.972
document_554 421.2320 421.2320 None 0.429 0.983
document_553 421.2320 421.2320 None 0.425 0.975
document_1107 435.2120 435.2120 None 0.424 0.971
document_575 421.2330 421.2330 None 0.420 0.978
document_596 421.2320 421.2320 None 0.419 0.896
document_600 421.2330 421.2330 None 0.419 0.885
document_561 421.2320 421.2320 None 0.418 0.976
document_572 421.2320 421.2320 None 0.417 0.885
document_1094 435.2110 435.2110 None 0.415 0.972
document_495 421.2180 421.2180 None 0.410 0.976
document_1080 435.2110 435.2110 None 0.408 0.966
document_1096 435.2190 435.2190 None 0.405 0.935
document_591 421.2350 421.2350 None 0.403 0.969
document_582 421.2340 421.2340 None 0.400 0.971
document_1102 435.2120 435.2120 None 0.400 0.970
document_1082 435.2110 435.2110 None 0.399 0.969
document_1098 435.2170 435.2170 None 0.398 0.730
document_1099 435.2170 435.2170 None 0.398 0.882
document_571 421.2320 421.2320 None 0.396 0.972
document_587 421.2320 421.2320 None 0.393 0.891
document_590 421.2330 421.2330 None 0.391 0.886
document_1110 435.2120 435.2120 None 0.391 0.966
document_622 421.2320 421.2320 None 0.390 0.970
document_546 421.2310 421.2310 None 0.390 0.931
document_610 421.2330 421.2330 None 0.388 0.976
document_551 421.2340 421.2340 None 0.387 0.982
document_501 419.8630 419.8630 None 0.386 0.888
document_603 421.2330 421.2330 None 0.385 0.885
document_570 421.2350 421.2350 None 0.382 0.886
document_612 421.2320 421.2320 None 0.381 0.971
document_598 421.2320 421.2320 None 0.380 0.886
document_446 418.7780 418.7780 None 0.378 0.930
document_601 421.2330 421.2330 None 0.377 0.976
document_565 421.2330 421.2330 None 0.376 0.975
document_1089 435.2120 435.2120 None 0.374 0.967
document_616 421.2340 421.2340 None 0.372 0.890
document_576 421.2320 421.2320 None 0.368 0.885
document_548 421.2320 421.2320 None 0.368 0.886
document_568 421.2330 421.2330 None 0.366 0.880
document_623 421.2330 421.2330 None 0.364 0.891
document_627 421.2330 421.2330 None 0.360 0.885
document_1100 435.2120 435.2120 None 0.360 0.977
document_629 421.2360 421.2360 None 0.359 0.885
document_518 421.0110 421.0110 None 0.357 0.934
document_562 421.2310 421.2310 None 0.357 0.885
document_585 421.2320 421.2320 None 0.355 0.885
document_417 417.2120 417.2120 None 0.355 0.887
document_581 421.2320 421.2320 None 0.354 0.971
document_640 421.2370 421.2370 None 0.349 0.894
document_578 421.2320 421.2320 None 0.347 0.880
document_563 421.2310 421.2310 None 0.343 0.982
document_613 421.2330 421.2330 None 0.340 0.970
document_646 421.2370 421.2370 None 0.331 0.887
document_560 421.2310 421.2310 None 0.328 0.885
document_1103 435.2110 435.2110 None 0.328 0.972
document_632 421.2330 421.2330 None 0.327 0.886
document_626 421.2340 421.2340 None 0.326 0.885
document_429 419.2110 419.2110 None 0.318 0.973
document_497 419.7530 419.7530 None 0.318 0.852
document_541 421.2290 421.2290 None 0.318 0.880
document_1109 435.2120 435.2120 None 0.314 0.969
document_1091 435.2110 435.2110 None 0.313 0.971
document_1105 435.2140 435.2140 None 0.308 0.735
document_611 421.2330 421.2330 None 0.304 0.971
document_604 421.2320 421.2320 None 0.303 0.890
document_628 421.2370 421.2370 None 0.298 0.881
document_567 421.2320 421.2320 None 0.295 0.886
document_577 421.2320 421.2320 None 0.287 0.887
document_1104 435.2120 435.2120 None 0.282 0.966
document_647 421.2340 421.2340 None 0.281 0.884
document_540 421.2320 421.2320 None 0.274 0.977
document_586 421.2320 421.2320 None 0.270 0.973
document_630 421.2330 421.2330 None 0.270 0.887
document_606 421.2330 421.2330 None 0.260 0.886
document_499 419.2780 419.2780 None 0.256 0.973
document_607 421.2320 421.2320 None 0.252 0.897
document_1087 435.2120 435.2120 None 0.251 0.936
document_441 419.2150 419.2150 None 0.245 0.983
document_656 421.2360 421.2360 None 0.244 0.891
document_559 421.2330 421.2330 None 0.242 0.886
document_442 418.9680 418.9680 None 0.242 0.845
document_608 421.2320 421.2320 None 0.236 0.884
document_547 421.2300 421.2300 None 0.234 0.850
document_520 420.5740 420.5740 None 0.228 0.936
document_1081 435.2110 435.2110 None 0.217 0.971
document_1079 435.2110 435.2110 None 0.210 0.938
document_483 419.2760 419.2760 None 0.210 0.972
document_3288 607.5660 607.5660 None 0.206 0.607
document_434 418.8080 418.8080 None 0.205 0.845
document_1073 434.2560 434.2560 None 0.192 0.930
document_1097 435.2110 435.2110 None 0.190 0.936
document_5571 819.4790 819.4790 None 0.177 0.888
document_439 419.0200 419.0200 None 0.175 0.888
document_1077 435.1860 435.1860 None 0.167 0.086
document_508 419.3150 419.3150 None 0.159 0.856
document_5572 819.4800 819.4800 None 0.154 0.940
document_1199 441.2210 441.2210 None 0.153 0.692
document_652 421.2350 421.2350 None 0.152 0.964
document_431 419.3550 419.3550 None 0.152 0.972
document_1404 453.2230 453.2230 None 0.150 0.974
document_549 421.2310 421.2310 None 0.138 0.845
document_5668 847.4210 847.4210 None 0.131 0.692
document_637 421.2340 421.2340 None 0.115 0.880
document_594 421.2320 421.2320 None 0.115 0.845
document_449 419.3770 419.3770 None 0.107 0.882
document_1200 441.2230 441.2230 None 0.106 0.694
document_466 419.2520 419.2520 None 0.106 0.936
document_219 409.2550 409.2550 None 0.103 0.692
document_1642 468.1820 468.1820 None 0.102 0.086
document_544 421.2320 421.2320 None 0.098 0.881
document_468 419.2760 419.2760 None 0.097 0.893
document_2509 531.3840 531.3840 None 0.095 0.607
document_445 420.8080 420.8080 None 0.093 0.377
document_1078 435.2110 435.2110 None 0.091 0.966
document_3099 589.3900 589.3900 None 0.088 0.607
document_473 419.3710 419.3710 None 0.087 0.882
document_464 419.2950 419.2950 None 0.087 0.966
document_580 421.2320 421.2320 None 0.082 0.323
document_1218 441.2970 441.2970 None 0.081 0.607
document_496 420.1280 420.1280 None 0.078 0.882
document_1641 468.1560 468.1560 None 0.073 0.085
document_574 421.2320 421.2320 None 0.073 0.244
document_595 421.2320 421.2320 None 0.070 0.238
document_1052 433.2760 433.2760 None 0.064 0.845
document_427 419.3710 419.3710 None 0.063 0.966
document_443 419.4060 419.4060 None 0.061 0.644
document_1883 487.2830 487.2830 None 0.061 0.930
document_430 419.0270 419.0270 None 0.060 0.966
document_1879 488.9780 488.9780 None 0.060 0.974
document_3899 667.3240 667.3240 None 0.058 0.609
document_619 421.2320 421.2320 None 0.057 0.607

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.