Mass2Motif: motif_197

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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 0.9600910858317708. 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_89.0500 0.187
fragment_291.2500 0.163
fragment_133.0500 0.089
fragment_177.1500 0.079
fragment_335.2500 0.042
loss_143.1500 0.040
fragment_292.2500 0.040
fragment_247.2500 0.034
fragment_165.0500 0.026
fragment_85.0500 0.023
fragment_175.0500 0.022
loss_17.0500 0.022
fragment_131.0500 0.018
fragment_221.1500 0.014
fragment_661.4500 0.007
fragment_353.2500 0.007
fragment_535.3500 0.007
fragment_317.2500 0.007
fragment_121.0500 0.007
fragment_209.1500 0.006
loss_142.1500 0.006
fragment_84.6500 0.006
fragment_57.0500 0.006
fragment_315.1500 0.006
fragment_403.2500 0.005
fragment_265.1500 0.005
fragment_705.4500 0.005
fragment_219.6500 0.005
fragment_491.2500 0.004
fragment_235.1500 0.004
fragment_453.2500 0.004
fragment_617.4500 0.004
fragment_127.1500 0.004
fragment_248.2500 0.003
fragment_579.3500 0.003
fragment_336.2500 0.003
fragment_749.5500 0.003
fragment_623.3500 0.003
fragment_655.4500 0.003
loss_23.0500 0.003
loss_105.0500 0.003
fragment_573.3500 0.002
fragment_309.1500 0.002
fragment_485.3500 0.002
fragment_356.2500 0.002
fragment_256.1500 0.002
fragment_262.2500 0.002
fragment_273.2500 0.002
fragment_71.0500 0.002
fragment_404.2500 0.002
fragment_857.7500 0.002
loss_167.1500 0.001
fragment_793.5500 0.001
fragment_599.0500 0.001
loss_123.4500 0.001
loss_166.1500 0.001
fragment_735.2500 0.001
fragment_556.3500 0.001
fragment_191.1500 0.001
fragment_270.9500 0.001
fragment_529.3500 0.001
fragment_918.9500 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 72 100 95.3 4.7
Carbonyl group 51 70.8 44.0 26.8
Alcohol 39 54.2 14.7 39.5
Secondary alcohol 32 44.4 7.7 36.7
Benzenoid 31 43.1 18.3 24.7
Oxacycle 23 31.9 7.9 24.0
Organoheterocyclic compound 20 27.8 13.3 14.5
Oxane 19 26.4 1.9 24.5
O-glycosyl compound 18 25 1.2 23.8
Polyol 13 18.1 1.6 16.5
Acetal 12 16.7 1.5 15.2
Organic nitrogen compound 12 16.7 55.6 39.0
Organopnictogen compound 10 13.9 45.2 31.4
Organonitrogen compound 10 13.9 54.1 40.2
Carboxylic acid ester 7 9.7 1.8 7.9
Glycosyl compound 6 8.3 0.7 7.6
Primary alcohol 6 8.3 0.9 7.5
Aromatic heteropolycyclic compound 6 8.3 9.6 1.3
Azacycle 6 8.3 22.6 14.3
1-hydroxy-2-unsubstituted benzenoid 5 6.9 1.3 5.7
Phenol 3 4.2 0.5 3.7
Heteroaromatic compound 2 2.8 5.8 3.0
Alpha 1 1.4 0.0 1.4
Monosaccharide 1 1.4 0.1 1.3
Hexose monosaccharide 1 1.4 0.0 1.4
1-benzopyran 1 1.4 0.1 1.3
Pyran 1 1.4 0.1 1.3
Phenolic glycoside 1 1.4 0.0 1.4
Carboxamide group 1 1.4 5.5 4.1

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_4000 678.4780 678.4780 None 0.869 0.600
document_4852 722.5280 722.5280 None 0.829 0.867
document_4851 722.5000 722.5000 None 0.817 0.421
document_2636 546.3720 546.3720 None 0.806 0.753
document_5343 766.5280 766.5280 None 0.800 0.332
document_3998 678.4780 678.4780 None 0.768 0.803
document_3993 678.4800 678.4800 None 0.764 0.858
document_2635 546.4020 546.4020 None 0.761 0.770
document_2639 546.3930 546.3930 None 0.747 0.805
document_3097 590.4170 590.4170 None 0.733 0.776
document_5342 766.5300 766.5300 None 0.689 0.834
document_3994 678.4780 678.4780 None 0.672 0.821
document_1495 458.3460 458.3460 None 0.668 0.736
document_5345 766.5300 766.5300 None 0.658 0.498
document_4845 722.5010 722.5010 None 0.622 0.835
document_5539 810.5530 810.5530 None 0.616 0.797
document_4079 680.9280 680.9280 None 0.606 0.513
document_4857 722.5040 722.5040 None 0.597 0.678
document_3540 634.4490 634.4490 None 0.591 0.813
document_3991 678.4770 678.4770 None 0.560 0.783
document_4001 678.4800 678.4800 None 0.548 0.690
document_3124 590.4240 590.4240 None 0.545 0.700
document_5347 766.5290 766.5290 None 0.540 0.534
document_3542 634.4500 634.4500 None 0.538 0.651
document_2185 502.3680 502.3680 None 0.533 0.776
document_3102 590.4380 590.4380 None 0.515 0.793
document_3992 678.4850 678.4850 None 0.512 0.776
document_4846 722.5000 722.5000 None 0.510 0.801
document_3123 590.4230 590.4230 None 0.497 0.612
document_3543 634.4500 634.4500 None 0.484 0.685
document_5352 766.5300 766.5300 None 0.475 0.568
document_4854 722.5010 722.5010 None 0.407 0.597
document_4855 722.5020 722.5020 None 0.400 0.474
document_3532 634.4620 634.4620 None 0.400 0.760
document_3544 634.4490 634.4490 None 0.397 0.672
document_4856 722.5040 722.5040 None 0.393 0.363
document_4853 722.5020 722.5020 None 0.384 0.693
document_3997 678.4810 678.4810 None 0.381 0.719
document_5675 854.5800 854.5800 None 0.378 0.701
document_3995 678.4780 678.4780 None 0.361 0.657
document_3996 678.4780 678.4780 None 0.322 0.661
document_5344 766.5310 766.5310 None 0.319 0.491
document_5349 766.5290 766.5290 None 0.313 0.539
document_3531 634.4240 634.4240 None 0.304 0.737
document_4871 724.9530 724.9530 None 0.276 0.655
document_3538 634.4200 634.4200 None 0.267 0.501
document_4002 678.4780 678.4780 None 0.261 0.567
document_3545 634.4520 634.4520 None 0.238 0.375
document_3107 590.4160 590.4160 None 0.230 0.743
document_4005 678.4840 678.4840 None 0.222 0.511
document_5540 810.5560 810.5560 None 0.212 0.567
document_3105 590.5280 590.5280 None 0.207 0.040
document_3220 599.4410 599.4410 None 0.200 0.203
document_2975 575.4390 575.4390 None 0.183 0.206
document_2776 557.4290 557.4290 None 0.183 0.392
document_2652 546.3980 546.3980 None 0.161 0.401
document_5351 766.5300 766.5300 None 0.154 0.491
document_2706 551.3360 551.3360 None 0.143 0.350
document_2651 546.4000 546.4000 None 0.143 0.631
document_2175 500.3600 500.3600 None 0.141 0.425
document_3419 619.4680 619.4680 None 0.134 0.043
document_93 402.1140 402.1140 None 0.124 0.294
document_3974 678.3660 678.3660 None 0.107 0.609
document_5336 766.5040 766.5040 None 0.096 0.462
document_2095 498.8990 498.8990 None 0.096 0.534
document_3122 591.4560 591.4560 None 0.095 0.447
document_4847 722.4570 722.4570 None 0.088 0.295
document_5234 746.9650 746.9650 None 0.074 0.458
document_3516 631.5020 631.5020 None 0.073 0.045
document_1945 489.3670 489.3670 None 0.073 0.176
document_4844 722.4790 722.4790 None 0.071 0.565
document_4906 727.4000 727.4000 None 0.061 0.163

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.