Mass2Motif: motif_96

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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 0.9586743475641323. 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_318.2500 0.548
fragment_319.2500 0.092
fragment_364.2500 0.051
fragment_130.1500 0.047
fragment_495.2500 0.023
fragment_551.3500 0.022
fragment_496.2500 0.015
loss_112.1500 0.015
fragment_320.2500 0.011
fragment_332.2500 0.011
fragment_609.3500 0.008
loss_54.0500 0.008
fragment_306.2500 0.008
loss_111.1500 0.007
fragment_552.3500 0.007
fragment_365.2500 0.005
fragment_76.4500 0.005
fragment_266.1500 0.005
fragment_226.1500 0.005
loss_167.1500 0.004
fragment_112.1500 0.004
loss_31.7500 0.004
fragment_631.6500 0.004
fragment_366.2500 0.004
loss_105.4500 0.003
fragment_558.0500 0.003
fragment_301.2500 0.003
loss_187.1500 0.002
fragment_248.8500 0.002
fragment_327.0500 0.002
fragment_533.3500 0.002
fragment_131.1500 0.002
fragment_383.1500 0.002
loss_190.0500 0.002
fragment_323.2500 0.002
fragment_497.2500 0.002
loss_171.1500 0.002
loss_168.0500 0.002
fragment_224.1500 0.002
fragment_405.2500 0.002
fragment_394.2500 0.002
loss_166.1500 0.001
fragment_439.2500 0.001
loss_86.9500 0.001
fragment_397.2500 0.001
fragment_309.1500 0.001
loss_187.2500 0.001
fragment_346.1500 0.001
loss_173.2500 0.001
fragment_222.1500 0.001

Counts of Classyfire Substituent terms

Term name Count in motif Percentage in motif Percentage in experiment Absolute difference
Hydrocarbon derivative 72 100 100 0
Organooxygen compound 71 98.6 95.3 3.3
Organic nitrogen compound 52 72.2 55.6 16.6
Organonitrogen compound 49 68.1 54.1 13.9
Organopnictogen compound 46 63.9 45.2 18.6
Azacycle 33 45.8 22.6 23.2
Benzenoid 20 27.8 18.3 9.4
Heteroaromatic compound 18 25 5.8 19.2
Carbonyl group 17 23.6 44.0 20.4
Aromatic heteropolycyclic compound 11 15.3 9.6 5.6
Alcohol 6 8.3 14.7 6.3
Amine 6 8.3 4.4 4.0
Organoheterocyclic compound 4 5.6 13.3 7.8
Secondary alcohol 3 4.2 7.7 3.5
Oxacycle 2 2.8 7.9 5.1
Carboxamide group 1 1.4 5.5 4.1
Oxane 1 1.4 1.9 0.5
Acetal 1 1.4 1.5 0.1

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_3359 613.4850 613.4850 None 0.998 0.651
document_3369 613.4930 613.4930 None 0.995 0.651
document_3368 613.4900 613.4900 None 0.985 0.675
document_4083 681.4810 681.4810 None 0.968 0.653
document_3365 613.4880 613.4880 None 0.967 0.651
document_3244 601.4920 601.4920 None 0.966 0.659
document_3372 613.4900 613.4900 None 0.952 0.651
document_3373 613.4930 613.4930 None 0.927 0.651
document_3366 613.4900 613.4900 None 0.926 0.651
document_3053 584.4020 584.4020 None 0.894 0.652
document_3371 613.4900 613.4900 None 0.866 0.653
document_4374 699.4900 699.4900 None 0.847 0.674
document_3866 663.4490 663.4490 None 0.843 0.134
document_3512 631.5010 631.5010 None 0.812 0.653
document_3821 659.2700 659.2700 None 0.807 0.701
document_3179 595.3800 595.3800 None 0.783 0.644
document_3374 613.4920 613.4920 None 0.769 0.651
document_3376 613.4920 613.4920 None 0.725 0.651
document_3516 631.5020 631.5020 None 0.715 0.651
document_3706 643.5000 643.5000 None 0.670 0.656
document_3465 627.8630 627.8630 None 0.669 0.640
document_3409 619.3060 619.3060 None 0.641 0.659
document_3513 631.5020 631.5020 None 0.618 0.651
document_3514 631.5000 631.5000 None 0.601 0.645
document_3464 625.5750 625.5750 None 0.594 0.651
document_207 408.3250 408.3250 None 0.483 0.055
document_3960 675.4680 675.4680 None 0.473 0.675
document_2409 522.2030 522.2030 None 0.432 0.651
document_3311 609.5220 609.5220 None 0.425 0.548
document_3865 663.4520 663.4520 None 0.417 0.110
document_2226 505.3620 505.3620 None 0.393 0.658
document_3370 613.4930 613.4930 None 0.377 0.651
document_3919 669.4190 669.4190 None 0.374 0.640
document_1850 484.2370 484.2370 None 0.355 0.057
document_3497 629.4850 629.4850 None 0.348 0.662
document_4567 708.5610 708.5610 None 0.326 0.673
document_2467 527.3150 527.3150 None 0.323 0.054
document_2468 527.3160 527.3160 None 0.322 0.050
document_2224 505.3620 505.3620 None 0.305 0.658
document_2225 505.3630 505.3630 None 0.303 0.661
document_2509 531.3840 531.3840 None 0.250 0.052
document_5670 848.6400 848.6400 None 0.230 0.640
document_195 408.1940 408.1940 None 0.222 0.062
document_2785 559.4170 559.4170 None 0.208 0.549
document_1940 489.8820 489.8820 None 0.199 0.654
document_2927 570.2820 570.2820 None 0.194 0.040
document_199 408.2330 408.2330 None 0.176 0.056
document_3386 615.8510 615.8510 None 0.165 0.653
document_3707 645.2020 645.2020 None 0.161 0.651
document_3735 646.0820 646.0820 None 0.159 0.559
document_4007 679.2990 679.2990 None 0.158 0.656
document_2778 558.3500 558.3500 None 0.148 0.548
document_3737 645.5210 645.5210 None 0.125 0.640
document_1654 468.3690 468.3690 None 0.116 0.548
document_258 413.1790 413.1790 None 0.108 0.047
document_2390 519.3780 519.3780 None 0.097 0.653
document_3385 615.4760 615.4760 None 0.096 0.559
document_3736 645.5160 645.5160 None 0.084 0.640
document_3367 614.8110 614.8110 None 0.081 0.689
document_1943 489.3660 489.3660 None 0.080 0.565
document_3331 612.3990 612.3990 None 0.080 0.548
document_2199 503.3460 503.3460 None 0.078 0.561
document_5160 740.5190 740.5190 None 0.077 0.548
document_3867 663.4910 663.4910 None 0.076 0.570
document_1563 463.2780 463.2780 None 0.073 0.552
document_1788 478.3390 478.3390 Massbank:PR040097 Isorhamnetin-3-O-glucoside|Isor_3_Glc|5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one 0.065 0.551
document_4737 716.4820 716.4820 None 0.061 0.653
document_1392 452.3180 452.3180 None 0.059 0.640
document_3147 593.3160 593.3160 None 0.058 0.050
document_3754 649.4850 649.4850 None 0.054 0.639
document_1941 489.3660 489.3660 None 0.053 0.549
document_206 408.3070 408.3070 None 0.052 0.566

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.