Mass2Motif: motif_60

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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 0.9376733728637966. 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_413.2500 0.662
fragment_414.2500 0.121
loss_147.1500 0.021
fragment_415.2500 0.014
fragment_329.9500 0.012
fragment_791.4500 0.012
loss_178.6500 0.010
fragment_241.4500 0.010
loss_134.1500 0.007
fragment_523.1500 0.007
fragment_224.1500 0.006
loss_124.9500 0.005
loss_98.9500 0.005
fragment_730.2500 0.005
fragment_348.0500 0.003
fragment_330.9500 0.003
fragment_442.7500 0.003
fragment_412.2500 0.002
fragment_236.1500 0.002
fragment_181.9500 0.002
fragment_793.4500 0.002
fragment_291.1500 0.002
fragment_306.2500 0.002
fragment_84.5500 0.002
fragment_707.6500 0.002
fragment_415.1500 0.002
fragment_94.0500 0.002
fragment_254.1500 0.002
fragment_566.5500 0.002
loss_112.9500 0.002
fragment_225.0500 0.001
fragment_427.2500 0.001
fragment_319.1500 0.001
fragment_583.9500 0.001
loss_44.4500 0.001
fragment_538.4500 0.001
fragment_359.9500 0.001

Counts of Classyfire Substituent terms

Term name Count in motif Percentage in motif Percentage in experiment Absolute difference
Hydrocarbon derivative 75 100 100 0
Organooxygen compound 72 96 95.3 0.7
Organic nitrogen compound 51 68 55.6 12.4
Organonitrogen compound 48 64 54.1 9.9
Organopnictogen compound 32 42.7 45.2 2.6
Benzenoid 18 24 18.3 5.7
Carbonyl group 12 16 44.0 28.0
Azacycle 12 16 22.6 6.6
Aromatic heteropolycyclic compound 9 12 9.6 2.4
Organoheterocyclic compound 8 10.7 13.3 2.7
Oxacycle 7 9.3 7.9 1.4
Alcohol 6 8 14.7 6.7
Secondary alcohol 3 4 7.7 3.7
Heteroaromatic compound 1 1.3 5.8 4.4
1-hydroxy-2-unsubstituted benzenoid 1 1.3 1.3 0.1
Vinylogous acid 1 1.3 0.1 1.2
Amine 1 1.3 4.4 3.0

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_5516 803.4560 803.4560 None 0.999 0.797
document_5525 803.5410 803.5410 None 0.972 0.797
document_3273 605.0730 605.0730 None 0.966 0.019
document_5520 803.4890 803.4890 None 0.964 0.797
document_4360 696.4290 696.4290 None 0.946 0.789
document_3810 657.2850 657.2850 None 0.922 0.043
document_5521 803.4390 803.4390 None 0.850 0.799
document_3897 667.3200 667.3200 None 0.849 0.797
document_5523 803.4390 803.4390 None 0.834 0.799
document_5522 803.4380 803.4380 None 0.814 0.785
document_4061 679.4380 679.4380 None 0.771 0.789
document_4060 679.4340 679.4340 None 0.748 0.800
document_3354 613.2480 613.2480 None 0.666 0.784
document_4284 691.3060 691.3060 None 0.661 0.797
document_2804 561.3970 561.3970 None 0.627 0.163
document_3656 639.3290 639.3290 None 0.612 0.783
document_4291 691.4180 691.4180 None 0.583 0.797
document_4567 708.5610 708.5610 None 0.569 0.797
document_1811 481.2190 481.2190 None 0.527 0.802
document_1808 481.1980 481.1980 None 0.511 0.783
document_1806 481.1980 481.1980 None 0.503 0.799
document_1805 481.1980 481.1980 None 0.482 0.797
document_2675 549.1860 549.1860 None 0.476 0.797
document_3486 628.4520 628.4520 None 0.472 0.800
document_1807 481.1980 481.1980 None 0.470 0.797
document_1810 481.1990 481.1990 None 0.467 0.797
document_2674 549.1850 549.1850 None 0.467 0.785
document_1809 481.2010 481.2010 None 0.464 0.797
document_2420 523.2070 523.2070 None 0.445 0.783
document_2676 549.1860 549.1860 None 0.441 0.783
document_2677 549.1950 549.1950 None 0.430 0.797
document_1381 451.6590 451.6590 None 0.386 0.783
document_2671 549.1900 549.1900 None 0.380 0.797
document_496 420.1280 420.1280 None 0.380 0.029
document_2817 563.3010 563.3010 None 0.378 0.818
document_2816 563.3030 563.3030 None 0.378 0.797
document_3223 600.3440 600.3440 None 0.303 0.664
document_4878 725.4010 725.4010 None 0.303 0.797
document_2803 561.3970 561.3970 None 0.277 0.149
document_1393 452.4240 452.4240 None 0.234 0.783
document_4899 727.3810 727.3810 None 0.232 0.784
document_3418 619.4370 619.4370 None 0.198 0.662
document_3052 584.3900 584.3900 None 0.157 0.783
document_2974 575.3910 575.3910 None 0.156 0.797
document_3343 613.2480 613.2480 None 0.152 0.669
document_3655 639.3280 639.3280 None 0.150 0.661
document_2782 559.4160 559.4160 None 0.147 0.783
document_1373 450.4460 450.4460 None 0.146 0.662
document_1250 443.2210 443.2210 None 0.145 0.662
document_4970 732.4560 732.4560 None 0.144 0.662
document_3417 619.4370 619.4370 None 0.137 0.783
document_3686 640.4520 640.4520 None 0.125 0.783
document_5017 734.4700 734.4700 None 0.114 0.797
document_2934 570.3740 570.3740 None 0.105 0.662
document_1264 443.2370 443.2370 None 0.105 0.662
document_1254 443.2210 443.2210 None 0.105 0.662
document_3100 589.4260 589.4260 None 0.094 0.783
document_1257 443.2220 443.2220 None 0.086 0.663
document_1418 455.3310 455.3310 None 0.085 0.797
document_3454 625.3110 625.3110 None 0.082 0.661
document_3344 613.2480 613.2480 None 0.081 0.662
document_2815 563.0940 563.0940 None 0.080 0.783
document_1409 454.4330 454.4330 None 0.078 0.783
document_3680 639.5660 639.5660 None 0.076 0.662
document_1735 474.2550 474.2550 None 0.071 0.783
document_5049 738.4150 738.4150 None 0.064 0.662
document_1709 473.2310 473.2310 None 0.064 0.664
document_5532 808.4770 808.4770 None 0.062 0.783
document_1419 455.2580 455.2580 None 0.062 0.797
document_5514 802.4580 802.4580 None 0.061 0.676
document_1249 443.2240 443.2240 None 0.061 0.783
document_1710 473.2320 473.2320 None 0.055 0.660
document_5528 805.4840 805.4840 None 0.050 0.783
document_5512 800.4430 800.4430 None 0.050 0.783
document_1192 441.1730 441.1730 None 0.050 0.660

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.