Mass2Motif: motif_229

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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 0.9455629750929277. 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 0.399
fragment_177.1500 0.253
fragment_133.0500 0.182
fragment_221.1500 0.014
loss_17.0500 0.012
fragment_257.2500 0.006
fragment_309.1500 0.006
fragment_117.0500 0.005
fragment_229.2500 0.005
fragment_265.1500 0.005
fragment_85.0500 0.005
fragment_67.0500 0.004
fragment_178.1500 0.004
fragment_301.2500 0.004
fragment_789.4500 0.003
fragment_243.2500 0.003
fragment_353.2500 0.003
fragment_415.2500 0.002
fragment_711.4500 0.002
loss_185.2500 0.002
fragment_141.1500 0.002
fragment_712.0500 0.002
loss_16.7500 0.002
fragment_711.7500 0.002
fragment_113.1500 0.002
loss_171.1500 0.002
fragment_371.2500 0.002
fragment_161.1500 0.001
fragment_547.3500 0.001
loss_105.0500 0.001
fragment_459.2500 0.001
fragment_635.3500 0.001
loss_16.9500 0.001
fragment_503.3500 0.001
fragment_715.5500 0.001
fragment_613.3500 0.001
fragment_701.4500 0.001
fragment_712.4500 0.001

Counts of Classyfire Substituent terms

Term name Count in motif Percentage in motif Percentage in experiment Absolute difference
Hydrocarbon derivative 236 100 100 0
Organooxygen compound 227 96.2 95.3 0.9
Carbonyl group 136 57.6 44.0 13.6
Benzenoid 107 45.3 18.3 27.0
Alcohol 82 34.7 14.7 20.1
Oxacycle 66 28.0 7.9 20.1
Secondary alcohol 63 26.7 7.7 19.0
Organoheterocyclic compound 51 21.6 13.3 8.3
Organic nitrogen compound 31 13.1 55.6 42.5
1-hydroxy-2-unsubstituted benzenoid 26 11.0 1.3 9.7
Organonitrogen compound 24 10.2 54.1 43.9
Aromatic heteropolycyclic compound 22 9.3 9.6 0.3
Oxane 22 9.3 1.9 7.4
Polyol 20 8.5 1.6 6.9
O-glycosyl compound 19 8.1 1.2 6.9
Acetal 15 6.4 1.5 4.9
Carboxylic acid ester 11 4.7 1.8 2.9
Organopnictogen compound 10 4.2 45.2 41.0
Azacycle 7 3.0 22.6 19.6
Phenol 6 2.5 0.5 2.1
Glycosyl compound 6 2.5 0.7 1.8
Heteroaromatic compound 3 1.3 5.8 4.5
Carboxamide group 3 1.3 5.5 4.2
Primary alcohol 3 1.3 0.9 0.4
Alpha 2 0.8 0.0 0.8
Cinnamic acid ester 1 0.4 0.0 0.4
Styrene 1 0.4 0.0 0.4
Aromatic homomonocyclic compound 1 0.4 0.1 0.4

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_4962 732.5020 732.5020 None 0.834 0.876
document_3702 644.4980 644.4980 None 0.832 0.902
document_3227 600.4650 600.4650 None 0.815 0.848
document_4191 688.5140 688.5140 None 0.811 0.902
document_3487 630.1650 630.1650 None 0.811 0.867
document_2590 542.1510 542.1510 None 0.793 0.873
document_1334 446.7720 446.7720 None 0.783 0.835
document_2562 538.2260 538.2260 None 0.778 0.856
document_3770 652.1050 652.1050 None 0.757 0.849
document_3054 585.6170 585.6170 None 0.754 0.863
document_2394 520.3310 520.3310 None 0.744 0.873
document_2833 564.3560 564.3560 None 0.731 0.837
document_3703 642.5090 642.5090 None 0.728 0.863
document_3838 660.4930 660.4930 None 0.718 0.878
document_3281 608.2550 608.2550 None 0.712 0.862
document_2809 564.3190 564.3190 None 0.700 0.869
document_3215 599.2450 599.2450 None 0.682 0.862
document_3174 597.0790 597.0790 None 0.672 0.854
document_1412 454.3760 454.3760 None 0.668 0.842
document_2397 520.3340 520.3340 None 0.648 0.851
document_3790 653.4030 653.4030 None 0.647 0.841
document_5426 776.5660 776.5660 None 0.627 0.893
document_2455 528.2010 528.2010 None 0.627 0.868
document_1766 476.3040 476.3040 None 0.627 0.845
document_2312 512.5570 512.5570 None 0.609 0.857
document_2741 556.1060 556.1060 None 0.592 0.872
document_1507 459.7230 459.7230 None 0.591 0.836
document_3398 616.4650 616.4650 None 0.576 0.882
document_4334 694.4510 694.4510 None 0.572 0.858
document_4971 732.5380 732.5380 None 0.565 0.853
document_3700 642.5070 642.5070 None 0.553 0.839
document_1765 476.3070 476.3070 None 0.538 0.844
document_3504 630.4810 630.4810 None 0.535 0.857
document_1520 460.2720 460.2720 None 0.528 0.860
document_1764 476.3040 476.3040 None 0.517 0.833
document_1749 476.2950 476.2950 None 0.511 0.880
document_5235 748.0630 748.0630 None 0.508 0.613
document_3940 673.7100 673.7100 None 0.505 0.863
document_1967 491.7910 491.7910 None 0.504 0.590
document_4996 734.4010 734.4010 None 0.498 0.836
document_5479 792.5680 792.5680 None 0.451 0.875
document_3228 601.9920 601.9920 None 0.443 0.845
document_1509 459.2810 459.2810 None 0.423 0.835
document_1033 432.2790 432.2790 None 0.410 0.855
document_1034 432.2780 432.2780 None 0.399 0.849
document_78 401.6370 401.6370 None 0.397 0.833
document_3877 665.7930 665.7930 None 0.396 0.835
document_3593 636.4160 636.4160 None 0.396 0.838
document_3999 679.9420 679.9420 None 0.394 0.849
document_2081 498.3990 498.3990 None 0.392 0.853
document_2555 535.9320 535.9320 None 0.371 0.843
document_1740 476.3050 476.3050 None 0.361 0.869
document_3295 608.3860 608.3860 None 0.357 0.846
document_4754 718.4620 718.4620 None 0.352 0.846
document_1906 487.3100 487.3100 None 0.352 0.846
document_1344 447.7670 447.7670 None 0.349 0.838
document_4529 704.5210 704.5210 None 0.330 0.878
document_712 425.7530 425.7530 None 0.327 0.835
document_1959 491.0700 491.0700 None 0.311 0.836
document_3895 667.2590 667.2590 None 0.304 0.262
document_3125 590.9690 590.9690 None 0.296 0.835
document_1673 469.7780 469.7780 None 0.296 0.837
document_2665 548.3240 548.3240 None 0.294 0.835
document_4569 708.4850 708.4850 None 0.290 0.871
document_1163 439.5800 439.5800 None 0.289 0.843
document_5675 854.5800 854.5800 None 0.289 0.845
document_4335 695.9960 695.9960 None 0.289 0.840
document_3426 620.4340 620.4340 None 0.282 0.868
document_3743 649.8430 649.8430 None 0.279 0.832
document_5255 753.5950 753.5950 None 0.277 0.838
document_3876 664.4590 664.4590 None 0.270 0.866
document_5096 738.4710 738.4710 None 0.260 0.850
document_5041 737.9280 737.9280 None 0.259 0.839
document_72 401.6130 401.6130 None 0.258 0.652
document_1767 476.3050 476.3050 None 0.257 0.835
document_3425 621.0610 621.0610 None 0.256 0.841
document_3995 678.4780 678.4780 None 0.248 0.855
document_4002 678.4780 678.4780 None 0.246 0.857
document_3996 678.4780 678.4780 None 0.242 0.840
document_1345 447.7660 447.7660 None 0.240 0.601
document_1032 432.2770 432.2770 None 0.235 0.835
document_4003 678.4790 678.4790 None 0.233 0.837
document_4853 722.5020 722.5020 None 0.229 0.830
document_1035 432.2780 432.2780 None 0.226 0.832
document_5241 748.4730 748.4730 None 0.222 0.837
document_5254 753.0550 753.0550 None 0.219 0.857
document_2964 573.3460 573.3460 None 0.217 0.835
document_3699 645.7760 645.7760 None 0.214 0.835
document_5561 817.0940 817.0940 None 0.211 0.851
document_3126 591.6130 591.6130 None 0.211 0.833
document_356 415.5290 415.5290 None 0.209 0.833
document_1162 439.5760 439.5760 None 0.207 0.839
document_2386 518.7780 518.7780 None 0.206 0.830
document_3541 636.4970 636.4970 None 0.204 0.834
document_3416 621.7690 621.7690 None 0.202 0.846
document_5233 746.9650 746.9650 None 0.202 0.849
document_679 424.4000 424.4000 None 0.201 0.852
document_4004 678.4970 678.4970 None 0.201 0.657
document_4821 718.5320 718.5320 None 0.198 0.847
document_2652 546.3980 546.3980 None 0.198 0.833
document_2459 526.8370 526.8370 None 0.189 0.844
document_3874 668.3900 668.3900 None 0.189 0.828
document_4059 679.7970 679.7970 None 0.187 0.838
document_5694 865.5290 865.5290 None 0.184 0.840
document_2985 576.4080 576.4080 None 0.183 0.868
document_4873 726.3820 726.3820 None 0.183 0.835
document_5293 758.6970 758.6970 None 0.183 0.835
document_4958 732.2810 732.2810 None 0.180 0.840
document_3808 658.9970 658.9970 None 0.176 0.839
document_4302 692.4180 692.4180 None 0.176 0.848
document_2192 503.7630 503.7630 None 0.176 0.849
document_1655 468.7380 468.7380 None 0.176 0.849
document_3884 665.2430 665.2430 None 0.173 0.253
document_4854 722.5010 722.5010 None 0.168 0.838
document_5360 768.4830 768.4830 None 0.165 0.839
document_3427 620.4310 620.4310 None 0.162 0.448
document_2330 513.6110 513.6110 None 0.162 0.842
document_5137 742.2350 742.2350 None 0.162 0.839
document_3292 610.3550 610.3550 None 0.161 0.846
document_4922 729.0710 729.0710 None 0.161 0.834
document_4833 720.5870 720.5870 None 0.161 0.836
document_2556 535.8170 535.8170 None 0.160 0.839
document_3875 664.4630 664.4630 None 0.158 0.863
document_1965 491.7910 491.7910 None 0.158 0.839
document_3264 604.9160 604.9160 None 0.157 0.834
document_860 430.6730 430.6730 None 0.157 0.833
document_2507 532.4540 532.4540 None 0.156 0.848
document_2446 525.3490 525.3490 None 0.153 0.838
document_827 429.2460 429.2460 None 0.152 0.832
document_3531 634.4240 634.4240 None 0.152 0.850
document_1736 474.3260 474.3260 None 0.152 0.836
document_5322 763.4260 763.4260 None 0.150 0.842
document_2083 498.7070 498.7070 None 0.147 0.653
document_4167 690.3100 690.3100 None 0.146 0.839
document_5025 735.3310 735.3310 None 0.145 0.253
document_5890 1077.6600 1077.6600 None 0.145 0.832
document_1835 482.8960 482.8960 None 0.144 0.840
document_3684 641.0350 641.0350 None 0.142 0.846
document_4090 682.4310 682.4310 None 0.142 0.845
document_5236 748.0030 748.0030 None 0.141 0.833
document_202 408.9060 408.9060 None 0.139 0.253
document_4612 713.6350 713.6350 None 0.138 0.837
document_5685 860.9060 860.9060 None 0.136 0.843
document_5170 742.4690 742.4690 None 0.136 0.835
document_4332 694.2360 694.2360 None 0.133 0.836
document_4845 722.5010 722.5010 None 0.133 0.880
document_875 430.3860 430.3860 None 0.132 0.445
document_2460 526.8380 526.8380 None 0.131 0.587
document_3449 627.4910 627.4910 None 0.128 0.850
document_3012 582.6040 582.6040 None 0.128 0.856
document_3937 674.3370 674.3370 None 0.127 0.836
document_5496 796.9550 796.9550 None 0.127 0.839
document_4160 689.7310 689.7310 None 0.127 0.848
document_5539 810.5530 810.5530 None 0.127 0.876
document_5433 778.4880 778.4880 None 0.123 0.836
document_3109 592.1030 592.1030 None 0.123 0.836
document_4736 716.4490 716.4490 None 0.122 0.669
document_2211 504.8250 504.8250 None 0.118 0.859
document_3825 658.9140 658.9140 None 0.117 0.844
document_4414 702.8550 702.8550 None 0.116 0.598
document_2906 569.1530 569.1530 None 0.116 0.835
document_5650 840.5670 840.5670 None 0.115 0.832
document_4496 704.3630 704.3630 None 0.114 0.835
document_3144 592.8750 592.8750 None 0.111 0.842
document_1768 476.3050 476.3050 None 0.110 0.836
document_4846 722.5000 722.5000 None 0.110 0.861
document_3540 634.4490 634.4490 None 0.109 0.873
document_4568 708.4870 708.4870 None 0.109 0.845
document_5460 786.6330 786.6330 None 0.109 0.849
document_1132 437.2300 437.2300 None 0.108 0.833
document_3367 614.8110 614.8110 None 0.106 0.842
document_3824 658.9150 658.9150 None 0.104 0.838
document_3072 586.6520 586.6520 None 0.104 0.850
document_3503 630.3830 630.3830 None 0.103 0.850
document_3545 634.4520 634.4520 None 0.101 0.436
document_1922 488.2680 488.2680 None 0.100 0.838
document_4141 684.4330 684.4330 None 0.099 0.835
document_5415 773.0530 773.0530 None 0.097 0.830
document_3532 634.4620 634.4620 None 0.095 0.873
document_3571 634.8750 634.8750 None 0.094 0.656
document_915 430.9110 430.9110 None 0.094 0.849
document_2350 514.2860 514.2860 None 0.094 0.403
document_1026 431.7700 431.7700 None 0.094 0.835
document_906 430.9210 430.9210 None 0.092 0.595
document_4871 724.9530 724.9530 None 0.089 0.835
document_4474 703.4800 703.4800 None 0.088 0.840
document_5540 810.5560 810.5560 None 0.087 0.851
document_4857 722.5040 722.5040 None 0.087 0.836
document_3225 601.1660 601.1660 None 0.086 0.831
document_4375 701.1200 701.1200 None 0.086 0.834
document_3781 653.3650 653.3650 None 0.085 0.835
document_2955 574.2950 574.2950 None 0.084 0.836
document_2937 570.8640 570.8640 None 0.084 0.838
document_2669 548.8430 548.8430 None 0.083 0.836
document_5342 766.5300 766.5300 None 0.083 0.876
document_3992 678.4850 678.4850 None 0.083 0.859
document_5513 802.3400 802.3400 None 0.083 0.839
document_337 413.2520 413.2520 None 0.083 0.253
document_4078 680.9270 680.9270 None 0.082 0.839
document_919 430.9130 430.9130 None 0.082 0.832
document_3328 614.2010 614.2010 None 0.082 0.836
document_3015 580.4190 580.4190 None 0.082 0.653
document_1521 460.2750 460.2750 None 0.081 0.585
document_3107 590.4160 590.4160 None 0.081 0.852
document_3974 678.3660 678.3660 None 0.081 0.837
document_4748 716.9490 716.9490 None 0.080 0.832
document_5724 884.5920 884.5920 None 0.079 0.832
document_3544 634.4490 634.4490 None 0.074 0.840
document_2988 576.4100 576.4100 None 0.070 0.652
document_890 430.4510 430.4510 Sorbitane Monostearate - Polysorbate 60 in-source fragment 0.067 0.440
document_923 430.9090 430.9090 None 0.065 0.585
document_1385 451.2270 451.2270 None 0.065 0.253
document_1769 476.3070 476.3070 None 0.064 0.835
document_1441 455.4580 455.4580 None 0.064 0.585
document_2832 564.3420 564.3420 None 0.064 0.833
document_5442 782.0110 782.0110 None 0.064 0.838
document_2709 551.3320 551.3320 None 0.064 0.255
document_1336 446.7750 446.7750 None 0.063 0.861
document_3102 590.4380 590.4380 None 0.062 0.868
document_5497 796.5410 796.5410 None 0.061 0.845
document_908 430.9110 430.9110 None 0.060 0.581
document_5257 752.5140 752.5140 None 0.059 0.832
document_3991 678.4770 678.4770 None 0.059 0.865
document_3994 678.4780 678.4780 None 0.058 0.852
document_3878 664.4630 664.4630 None 0.058 0.440
document_5208 744.4430 744.4430 None 0.058 0.252
document_3538 634.4200 634.4200 None 0.058 0.601
document_1645 468.2950 468.2950 None 0.057 0.182
document_143 404.2270 404.2270 None 0.056 0.835
document_3600 636.9010 636.9010 None 0.056 0.838
document_3685 640.4030 640.4030 None 0.056 0.853
document_909 430.9080 430.9080 None 0.056 0.835
document_1149 437.2420 437.2420 None 0.056 0.268
document_2995 578.1710 578.1710 None 0.053 0.839
document_689 425.1270 425.1270 None 0.053 0.587
document_479 419.2760 419.2760 None 0.050 0.253

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.