Mass2Motif: motif_88

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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 0.9417704200340273. 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_60.0500 0.448
loss_33.9500 0.097
loss_33.4500 0.062
loss_32.9500 0.028
loss_182.2500 0.025
fragment_507.2500 0.016
fragment_436.2500 0.015
loss_74.3500 0.015
fragment_639.3500 0.014
fragment_595.3500 0.014
fragment_617.3500 0.014
loss_73.3500 0.013
fragment_617.8500 0.013
fragment_275.1500 0.012
fragment_639.8500 0.012
fragment_595.8500 0.011
fragment_606.3500 0.010
loss_124.1500 0.006
fragment_365.2500 0.006
fragment_393.2500 0.006
loss_64.1500 0.006
fragment_337.2500 0.006
fragment_59.0500 0.006
loss_32.4500 0.004
fragment_640.3500 0.004
fragment_165.1500 0.004
fragment_225.1500 0.003
loss_56.9500 0.003
fragment_103.0500 0.003
fragment_400.3500 0.003
fragment_760.3500 0.003
fragment_123.9500 0.003
loss_189.0500 0.003
fragment_273.1500 0.003
loss_58.1500 0.002
loss_133.3500 0.002
fragment_126.8500 0.002
fragment_184.8500 0.002
loss_98.1500 0.002
loss_119.3500 0.002
fragment_271.2500 0.002
loss_31.9500 0.002
loss_148.1500 0.002
fragment_861.4500 0.002
loss_192.0500 0.002
fragment_287.1500 0.002
fragment_786.8500 0.002
loss_192.1500 0.002
loss_110.1500 0.002
fragment_347.1500 0.002
fragment_184.1500 0.002
fragment_61.0500 0.002
fragment_508.2500 0.002
loss_70.1500 0.002
fragment_122.0500 0.002
fragment_800.0500 0.001
fragment_387.1500 0.001
fragment_187.5500 0.001
fragment_138.1500 0.001
fragment_269.1500 0.001
fragment_265.0500 0.001
fragment_640.8500 0.001
fragment_141.0500 0.001
loss_134.0500 0.001

Counts of Classyfire Substituent terms

Term name Count in motif Percentage in motif Percentage in experiment Absolute difference
Hydrocarbon derivative 59 100 100 0
Organooxygen compound 47 79.7 95.3 15.7
Organic nitrogen compound 27 45.8 55.6 9.9
Organopnictogen compound 27 45.8 45.2 0.5
Organonitrogen compound 26 44.1 54.1 10.0
Carbonyl group 19 32.2 44.0 11.8
Azacycle 11 18.6 22.6 4.0
Aliphatic acyclic compound 4 6.8 2.9 3.8
Alcohol 2 3.4 14.7 11.3
Amine 2 3.4 4.4 1.0
Organoheterocyclic compound 1 1.7 13.3 11.6
Benzenoid 1 1.7 18.3 16.7

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_3947 673.3720 673.3720 None 0.993 0.224
document_3494 629.3500 629.3500 None 0.985 0.186
document_3779 651.3610 651.3610 None 0.891 0.220
document_5315 760.4340 760.4340 None 0.756 0.061
document_1472 457.3240 457.3240 None 0.680 0.518
document_2689 550.6250 550.6250 None 0.514 0.045
document_1477 457.3290 457.3290 None 0.498 0.503
document_5101 739.4140 739.4140 None 0.480 0.191
document_4353 695.3850 695.3850 None 0.446 0.202
document_1474 457.3280 457.3280 None 0.411 0.456
document_2450 526.2600 526.2600 None 0.392 0.512
document_74 401.2530 401.2530 None 0.386 0.115
document_1466 457.3170 457.3170 None 0.377 0.511
document_1398 452.4450 452.4450 None 0.365 0.448
document_1462 457.3160 457.3160 None 0.344 0.504
document_1467 457.3120 457.3120 None 0.343 0.456
document_1470 457.3230 457.3230 None 0.328 0.461
document_710 427.3590 427.3590 None 0.295 0.451
document_63 401.2660 401.2660 None 0.289 0.460
document_1478 457.3300 457.3300 None 0.256 0.457
document_1465 457.3150 457.3150 None 0.217 0.456
document_1585 463.3010 463.3010 None 0.212 0.454
document_1468 457.3120 457.3120 None 0.208 0.454
document_831 431.0400 431.0400 None 0.201 0.451
document_1424 455.3140 455.3140 None 0.192 0.448
document_3316 611.1280 611.1280 None 0.163 0.097
document_1701 472.2780 472.2780 None 0.151 0.455
document_1490 458.2580 458.2580 None 0.142 0.448
document_230 410.3630 410.3630 None 0.137 0.449
document_1469 457.3110 457.3110 None 0.135 0.452
document_1471 457.3200 457.3200 None 0.134 0.454
document_1989 493.4750 493.4750 None 0.118 0.456
document_31 401.2640 401.2640 None 0.107 0.447
document_2627 545.1060 545.1060 None 0.105 0.448
document_1361 449.2870 449.2870 None 0.099 0.454
document_363 413.2680 413.2680 None 0.096 0.448
document_388 415.1720 415.1720 None 0.093 0.448
document_2539 533.4150 533.4150 None 0.087 0.455
document_66 401.2470 401.2470 None 0.085 0.448
document_1560 463.2750 463.2750 None 0.079 0.454
document_1666 469.3660 469.3660 None 0.075 0.454
document_2152 498.9040 498.9040 None 0.074 0.447
document_2028 498.5910 498.5910 None 0.071 0.457
document_2163 499.3130 499.3130 None 0.069 0.454
document_1842 483.2040 483.2040 None 0.068 0.449
document_298 413.2150 413.2150 Massbank:CE000164 S,R-Noscapine 0.066 0.448
document_4908 727.4010 727.4010 None 0.065 0.450
document_3096 588.4960 588.4960 None 0.063 0.454
document_1485 457.3940 457.3940 None 0.060 0.447
document_2056 497.3060 497.3060 None 0.058 0.455
document_1068 433.2910 433.2910 None 0.058 0.448
document_238 411.2710 411.2710 None 0.058 0.448
document_1489 457.4010 457.4010 None 0.056 0.448
document_1920 487.3590 487.3590 None 0.054 0.448
document_747 428.2020 428.2020 None 0.054 0.448
document_1486 457.4000 457.4000 None 0.053 0.448
document_2168 499.3140 499.3140 None 0.053 0.455
document_2176 500.3780 500.3780 None 0.052 0.454
document_1488 457.4000 457.4000 None 0.051 0.448

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.