Mass2Motif: motif_51

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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 0.963921695926651. 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_337.1500 0.480
fragment_369.1500 0.174
fragment_338.1500 0.140
fragment_399.1500 0.045
fragment_339.1500 0.037
fragment_370.1500 0.017
fragment_467.2500 0.008
loss_136.4500 0.007
fragment_310.1500 0.006
fragment_400.1500 0.006
fragment_278.1500 0.004
loss_134.4500 0.004
loss_86.0500 0.003
fragment_468.2500 0.003
loss_135.4500 0.003
fragment_425.1500 0.003
fragment_696.3500 0.002
fragment_249.1500 0.002
fragment_305.1500 0.002
loss_37.9500 0.002
fragment_344.9500 0.002
fragment_430.2500 0.002
fragment_320.0500 0.002
fragment_325.1500 0.001
fragment_370.2500 0.001
fragment_310.0500 0.001
fragment_58.4500 0.001
fragment_222.1500 0.001
fragment_152.1500 0.001
loss_138.4500 0.001
fragment_487.3500 0.001
fragment_545.4500 0.001

Counts of Classyfire Substituent terms

Term name Count in motif Percentage in motif Percentage in experiment Absolute difference
Hydrocarbon derivative 118 100 100 0
Organooxygen compound 116 98.3 95.3 3.0
Organic nitrogen compound 68 57.6 55.6 2.0
Organonitrogen compound 65 55.1 54.1 1.0
Organopnictogen compound 53 44.9 45.2 0.3
Carbonyl group 46 39.0 44.0 5.0
Benzenoid 36 30.5 18.3 12.2
Azacycle 29 24.6 22.6 2.0
Alcohol 20 16.9 14.7 2.3
Aromatic heteropolycyclic compound 19 16.1 9.6 6.5
Organoheterocyclic compound 18 15.3 13.3 1.9
Oxacycle 14 11.9 7.9 4.0
Secondary alcohol 8 6.8 7.7 0.9
Carboxamide group 6 5.1 5.5 0.4
Oxane 5 4.2 1.9 2.3
Heteroaromatic compound 5 4.2 5.8 1.5
Acetal 3 2.5 1.5 1.1
Polyol 3 2.5 1.6 1.0
1-hydroxy-2-unsubstituted benzenoid 2 1.7 1.3 0.4
Amine 2 1.7 4.4 2.7
Carboxylic acid ester 2 1.7 1.8 0.1
O-glycosyl compound 1 0.8 1.2 0.3
Primary alcohol 1 0.8 0.9 0.0

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_3772 651.2180 651.2180 Progesterone 0.998 0.656
document_5418 775.4000 775.4000 None 0.993 0.708
document_3789 653.2540 653.2540 None 0.990 0.710
document_5230 745.3890 745.3890 None 0.990 0.898
document_3773 651.2190 651.2190 None 0.987 0.656
document_4107 683.3540 683.3540 None 0.984 0.848
document_4094 683.3520 683.3520 None 0.972 0.810
document_4106 683.3570 683.3570 None 0.971 0.847
document_5274 755.4130 755.4130 None 0.969 0.656
document_4112 683.3580 683.3580 None 0.944 0.810
document_4109 683.3550 683.3550 None 0.881 0.810
document_4108 683.3550 683.3550 None 0.862 0.810
document_3173 595.3010 595.3010 None 0.852 0.857
document_1721 473.6400 473.6400 None 0.834 0.671
document_4111 683.3560 683.3560 None 0.753 0.712
document_4899 727.3810 727.3810 None 0.661 0.619
document_4587 709.2870 709.2870 None 0.612 0.187
document_3451 625.3120 625.3120 None 0.606 0.841
document_5286 757.3920 757.3920 None 0.586 0.664
document_4900 727.3810 727.3810 None 0.573 0.802
document_5280 757.3590 757.3590 None 0.549 0.794
document_4066 680.2680 680.2680 None 0.529 0.653
document_4639 713.3640 713.3640 None 0.511 0.670
document_2545 535.1710 535.1710 None 0.490 0.882
document_4877 725.4000 725.4000 None 0.489 0.793
document_2214 505.1610 505.1610 None 0.470 0.653
document_5854 997.5230 997.5230 None 0.468 0.793
document_1720 473.5040 473.5040 None 0.443 0.656
document_4638 713.3640 713.3640 None 0.443 0.842
document_1641 468.1560 468.1560 None 0.442 0.632
document_4641 713.3660 713.3660 None 0.411 0.628
document_3649 639.3280 639.3280 None 0.399 0.797
document_4889 727.3690 727.3690 None 0.398 0.804
document_4113 683.3560 683.3560 None 0.385 0.810
document_4093 683.2640 683.2640 None 0.373 0.624
document_2540 534.1910 534.1910 None 0.373 0.191
document_5278 757.3680 757.3680 None 0.359 0.803
document_3655 639.3280 639.3280 None 0.356 0.663
document_2679 549.2880 549.2880 None 0.318 0.656
document_1151 439.1040 439.1040 None 0.311 0.176
document_2702 551.8160 551.8160 None 0.284 0.797
document_1839 483.2080 483.2080 None 0.276 0.183
document_3059 585.2910 585.2910 None 0.269 0.191
document_1630 467.2100 467.2100 Staurosporine 0.251 0.176
document_2541 534.1900 534.1900 None 0.217 0.191
document_316 413.2320 413.2320 None 0.215 0.480
document_5359 768.4580 768.4580 None 0.214 0.051
document_5874 1041.5520 1041.5520 None 0.206 0.487
document_3915 669.3380 669.3380 None 0.200 0.479
document_1141 437.2310 437.2310 None 0.197 0.619
document_1629 467.2010 467.2010 Staurosporine 0.193 0.176
document_4752 717.3590 717.3590 None 0.186 0.481
document_1593 463.3050 463.3050 None 0.183 0.619
document_1136 437.2320 437.2320 None 0.182 0.497
document_2260 507.2500 507.2500 None 0.175 0.518
document_2064 498.1500 498.1500 None 0.174 0.191
document_619 421.2320 421.2320 None 0.171 0.037
document_1130 437.2300 437.2300 None 0.164 0.480
document_5924 1311.6190 1311.6190 None 0.159 0.621
document_4902 727.3820 727.3820 None 0.151 0.480
document_3453 625.3120 625.3120 None 0.148 0.174
document_5369 769.4280 769.4280 None 0.146 0.480
document_3019 581.2870 581.2870 None 0.142 0.179
document_4904 727.3830 727.3830 None 0.142 0.313
document_4903 727.3830 727.3830 None 0.141 0.480
document_3454 625.3110 625.3110 None 0.137 0.616
document_5809 953.4970 953.4970 None 0.133 0.653
document_1131 437.2300 437.2300 None 0.127 0.480
document_1347 448.1750 448.1750 None 0.125 0.173
document_5279 757.3230 757.3230 None 0.123 0.480
document_5870 1041.4860 1041.4860 None 0.118 0.480
document_4901 727.3820 727.3820 None 0.118 0.480
document_1590 463.3020 463.3020 None 0.116 0.140
document_225 410.1930 410.1930 None 0.116 0.649
document_3452 625.3120 625.3120 None 0.115 0.859
document_4637 713.3650 713.3650 None 0.113 0.855
document_3896 667.3200 667.3200 None 0.112 0.480
document_4110 683.3550 683.3550 None 0.111 0.486
document_1140 437.2310 437.2310 None 0.110 0.480
document_1138 437.2310 437.2310 None 0.106 0.619
document_736 427.1930 427.1930 None 0.105 0.480
document_3914 669.3380 669.3380 None 0.103 0.648
document_3656 639.3290 639.3290 None 0.102 0.516
document_3018 581.2870 581.2870 None 0.102 0.657
document_1135 437.2310 437.2310 None 0.099 0.480
document_3899 667.3240 667.3240 None 0.097 0.175
document_1526 461.1600 461.1600 None 0.090 0.190
document_5248 751.3400 751.3400 None 0.089 0.670
document_3207 598.3070 598.3070 None 0.086 0.141
document_1251 443.2210 443.2210 None 0.084 0.493
document_1667 469.1940 469.1940 None 0.083 0.178
document_802 429.2090 429.2090 None 0.080 0.480
document_1401 453.1930 453.1930 None 0.078 0.176
document_1125 437.2230 437.2230 None 0.078 0.480
document_4114 683.4250 683.4250 None 0.075 0.480
document_763 429.1780 429.1780 None 0.074 0.175
document_1194 441.1730 441.1730 None 0.072 0.480
document_3898 667.3230 667.3230 None 0.071 0.481
document_289 413.2150 413.2150 None 0.068 0.174
document_4348 695.3410 695.3410 None 0.067 0.037
document_4642 713.3660 713.3660 None 0.067 0.670
document_1840 483.2030 483.2030 None 0.067 0.140
document_5177 743.3760 743.3760 None 0.065 0.174
document_342 413.2580 413.2580 None 0.063 0.140
document_5853 997.5220 997.5220 None 0.062 0.480
document_471 419.2660 419.2660 None 0.061 0.040
document_287 413.2150 413.2150 None 0.061 0.486
document_1582 463.3010 463.3010 None 0.060 0.480
document_3802 655.3220 655.3220 None 0.058 0.653
document_5588 819.5000 819.5000 None 0.056 0.140
document_5175 743.3700 743.3700 None 0.055 0.530
document_3903 667.5980 667.5980 None 0.055 0.480
document_3888 665.5820 665.5820 None 0.055 0.045
document_4606 710.4740 710.4740 None 0.055 0.653
document_2380 518.2820 518.2820 None 0.054 0.173
document_2927 570.2820 570.2820 None 0.053 0.089
document_4067 680.2700 680.2700 None 0.052 0.482
document_3968 675.6760 675.6760 None 0.050 0.480

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.