Mass2Motif: motif_63

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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 0.8693003478243863. 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 0.378
fragment_90.0500 0.080
fragment_133.0500 0.042
fragment_553.3500 0.035
loss_19.6500 0.035
fragment_553.6500 0.031
loss_19.9500 0.018
fragment_875.5500 0.015
fragment_360.0500 0.014
fragment_177.1500 0.013
loss_20.0500 0.012
fragment_730.4500 0.012
fragment_277.2500 0.010
fragment_730.7500 0.007
fragment_730.1500 0.007
fragment_741.4500 0.007
fragment_741.1500 0.006
loss_89.4500 0.006
fragment_311.3500 0.005
fragment_165.0500 0.005
fragment_758.8500 0.005
fragment_361.0500 0.005
fragment_362.0500 0.005
fragment_447.2500 0.004
fragment_758.4500 0.004
fragment_740.7500 0.004
fragment_363.0500 0.004
fragment_697.1500 0.004
fragment_73.0500 0.003
fragment_841.0500 0.003
fragment_259.1500 0.003
fragment_87.0500 0.003
fragment_145.1500 0.003
fragment_841.5500 0.003
loss_66.0500 0.002
fragment_729.4500 0.002
fragment_840.5500 0.002
fragment_696.9500 0.002
fragment_85.0500 0.002
fragment_371.1500 0.002
fragment_541.3500 0.002
fragment_829.5500 0.002
fragment_685.3500 0.002
fragment_249.1500 0.002
fragment_731.1500 0.002
loss_85.2500 0.002
fragment_464.2500 0.002
fragment_221.9500 0.002
fragment_921.8500 0.002
fragment_439.1500 0.002
fragment_667.3500 0.002
fragment_661.2500 0.002
fragment_196.1500 0.002
fragment_539.3500 0.002
fragment_184.8500 0.002
loss_63.0500 0.002
fragment_510.2500 0.002
fragment_518.8500 0.002
loss_54.5500 0.002
loss_81.0500 0.002
fragment_398.2500 0.002
loss_90.1500 0.002
loss_181.7500 0.002
fragment_315.1500 0.001
fragment_921.5500 0.001
loss_164.1500 0.001
loss_181.9500 0.001
fragment_195.1500 0.001
fragment_354.7500 0.001
fragment_202.1500 0.001
loss_71.6500 0.001
fragment_356.2500 0.001
fragment_712.9500 0.001
loss_156.7500 0.001
fragment_416.5500 0.001
fragment_829.0500 0.001
fragment_683.4500 0.001
fragment_627.3500 0.001
fragment_147.1500 0.001
fragment_332.7500 0.001
loss_134.2500 0.001
fragment_51.0500 0.001
fragment_931.5500 0.001

Counts of Classyfire Substituent terms

Term name Count in motif Percentage in motif Percentage in experiment Absolute difference
Hydrocarbon derivative 58 100 100 0
Organooxygen compound 56 96.6 95.3 1.2
Benzenoid 22 37.9 18.3 19.6
Carbonyl group 21 36.2 44.0 7.8
Alcohol 12 20.7 14.7 6.0
Organic nitrogen compound 8 13.8 55.6 41.8
Secondary alcohol 8 13.8 7.7 6.1
Organoheterocyclic compound 8 13.8 13.3 0.5
Organonitrogen compound 7 12.1 54.1 42.0
Oxacycle 7 12.1 7.9 4.2
Organopnictogen compound 5 8.6 45.2 36.6
Carboxylic acid ester 3 5.2 1.8 3.4
Polyol 3 5.2 1.6 3.6
1-hydroxy-2-unsubstituted benzenoid 3 5.2 1.3 3.9
Aromatic heteropolycyclic compound 3 5.2 9.6 4.5
Oxane 2 3.4 1.9 1.5
Acetal 2 3.4 1.5 2.0
Primary alcohol 1 1.7 0.9 0.9
O-glycosyl compound 1 1.7 1.2 0.5
Phenol 1 1.7 0.5 1.3

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_2962 573.3450 573.3450 None 0.976 0.545
document_3704 643.1630 643.1630 None 0.946 0.035
document_2963 573.3450 573.3450 None 0.913 0.586
document_1336 446.7750 446.7750 None 0.764 0.511
document_2791 560.3460 560.3460 None 0.744 0.473
document_2696 552.2490 552.2490 None 0.740 0.477
document_2961 573.3420 573.3420 None 0.601 0.573
document_5513 802.3400 802.3400 None 0.513 0.462
document_3603 638.5970 638.5970 None 0.507 0.494
document_5322 763.4260 763.4260 None 0.454 0.449
document_18 400.7330 400.7330 None 0.440 0.391
document_5433 778.4880 778.4880 None 0.390 0.483
document_2808 562.3780 562.3780 None 0.375 0.501
document_1767 476.3050 476.3050 None 0.300 0.521
document_3877 665.7930 665.7930 None 0.279 0.514
document_2986 576.4060 576.4060 None 0.274 0.478
document_3125 590.9690 590.9690 None 0.268 0.525
document_5478 792.4950 792.4950 None 0.254 0.566
document_4375 701.1200 701.1200 None 0.249 0.471
document_1509 459.2810 459.2810 None 0.230 0.515
document_2556 535.8170 535.8170 None 0.217 0.439
document_686 424.7610 424.7610 None 0.187 0.459
document_3999 679.9420 679.9420 None 0.178 0.516
document_93 402.1140 402.1140 None 0.174 0.502
document_3352 613.2480 613.2480 None 0.169 0.080
document_2268 507.3110 507.3110 None 0.168 0.502
document_1863 485.2880 485.2880 None 0.153 0.383
document_5347 766.5290 766.5290 None 0.136 0.515
document_407 415.3020 415.3020 None 0.113 0.458
document_1032 432.2770 432.2770 None 0.111 0.513
document_3602 636.9010 636.9010 None 0.105 0.431
document_2107 498.8990 498.8990 None 0.096 0.380
document_1030 432.2380 432.2380 None 0.090 0.503
document_900 430.6050 430.6050 None 0.090 0.378
document_901 430.4020 430.4020 None 0.084 0.421
document_947 430.9120 430.9120 None 0.076 0.378
document_302 413.2150 413.2150 None 0.075 0.500
document_1965 491.7910 491.7910 None 0.075 0.516
document_1507 459.7230 459.7230 None 0.071 0.516
document_1914 487.3580 487.3580 None 0.070 0.457
document_16 400.3870 400.3870 None 0.069 0.463
document_1011 430.9250 430.9250 None 0.068 0.420
document_925 430.9110 430.9110 None 0.067 0.378
document_2707 551.3310 551.3310 None 0.064 0.386
document_921 430.9080 430.9080 None 0.063 0.420
document_3293 608.3820 608.3820 None 0.062 0.497
document_905 430.9100 430.9100 None 0.060 0.422
document_815 429.2450 429.2450 None 0.060 0.378
document_105 402.8220 402.8220 None 0.058 0.378
document_841 429.3220 429.3220 None 0.058 0.426
document_3751 647.3590 647.3590 None 0.057 0.138
document_1911 487.3580 487.3580 None 0.057 0.122
document_4853 722.5020 722.5020 None 0.057 0.513
document_916 430.9080 430.9080 None 0.055 0.420
document_5352 766.5300 766.5300 None 0.053 0.442
document_1007 430.9160 430.9160 None 0.052 0.378
document_356 415.5290 415.5290 None 0.051 0.522
document_3321 611.5350 611.5350 None 0.051 0.035

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.