Mass2Motif: motif_36

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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 0.9860024145834405. 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_133.0500 0.923
fragment_89.0500 0.022
fragment_175.0500 0.015
fragment_273.2500 0.010
fragment_134.0500 0.005
fragment_73.0500 0.005
fragment_266.1500 0.002
loss_16.6500 0.002
fragment_328.8500 0.002
fragment_323.2500 0.001

Counts of Classyfire Substituent terms

Term name Count in motif Percentage in motif Percentage in experiment Absolute difference
Hydrocarbon derivative 304 100 100 0
Organooxygen compound 297 97.7 95.3 2.4
Carbonyl group 164 53.9 44.0 9.9
Benzenoid 105 34.5 18.3 16.2
Alcohol 89 29.3 14.7 14.6
Secondary alcohol 73 24.0 7.7 16.3
Oxacycle 66 21.7 7.9 13.8
Organoheterocyclic compound 53 17.4 13.3 4.1
Organic nitrogen compound 50 16.4 55.6 39.2
Organonitrogen compound 44 14.5 54.1 39.6
Oxane 28 9.2 1.9 7.3
Organopnictogen compound 26 8.6 45.2 36.7
O-glycosyl compound 24 7.9 1.2 6.7
1-hydroxy-2-unsubstituted benzenoid 23 7.6 1.3 6.3
Aromatic heteropolycyclic compound 22 7.2 9.6 2.4
Polyol 22 7.2 1.6 5.7
Acetal 16 5.3 1.5 3.8
Carboxylic acid ester 15 4.9 1.8 3.1
Azacycle 11 3.6 22.6 19.0
Glycosyl compound 10 3.3 0.7 2.5
Primary alcohol 9 3.0 0.9 2.1
Phenol 7 2.3 0.5 1.8
Heteroaromatic compound 5 1.6 5.8 4.1
Alpha 2 0.7 0.0 0.6
Carboxamide group 2 0.7 5.5 4.8
Cinnamic acid ester 1 0.3 0.0 0.3
Styrene 1 0.3 0.0 0.3
Amine 1 0.3 4.4 4.0
Monosaccharide 1 0.3 0.1 0.3
Hexose monosaccharide 1 0.3 0.0 0.3
1-benzopyran 1 0.3 0.1 0.2
Pyran 1 0.3 0.1 0.2
Phenolic glycoside 1 0.3 0.0 0.3

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_709 425.8390 425.8390 None 0.589 0.929
document_5540 810.5560 810.5560 None 0.467 0.956
document_1032 432.2770 432.2770 None 0.442 0.944
document_4335 695.9960 695.9960 None 0.429 0.961
document_3122 591.4560 591.4560 None 0.420 0.954
document_720 426.3580 426.3580 None 0.417 0.933
document_1035 432.2780 432.2780 None 0.396 0.940
document_689 425.1270 425.1270 None 0.325 0.954
document_711 425.9060 425.9060 None 0.308 0.928
document_2808 562.3780 562.3780 None 0.285 0.964
document_4856 722.5040 722.5040 None 0.268 0.952
document_3126 591.6130 591.6130 None 0.266 0.953
document_1030 432.2380 432.2380 None 0.260 0.959
document_132 403.3420 403.3420 None 0.251 0.927
document_1740 476.3050 476.3050 None 0.249 0.944
document_1132 437.2300 437.2300 None 0.237 0.954
document_3995 678.4780 678.4780 None 0.235 0.951
document_2192 503.7630 503.7630 None 0.229 0.946
document_3123 590.4230 590.4230 None 0.229 0.964
document_3593 636.4160 636.4160 None 0.227 0.941
document_1749 476.2950 476.2950 None 0.226 0.949
document_3878 664.4630 664.4630 None 0.226 0.923
document_3701 643.0690 643.0690 None 0.226 0.944
document_5235 748.0630 748.0630 None 0.223 0.943
document_2386 518.7780 518.7780 None 0.219 0.936
document_2970 575.3020 575.3020 None 0.217 0.928
document_2809 564.3190 564.3190 None 0.217 0.966
document_3398 616.4650 616.4650 None 0.213 0.969
document_4358 696.4070 696.4070 None 0.212 0.928
document_1769 476.3070 476.3070 None 0.211 0.959
document_827 429.2460 429.2460 None 0.208 0.944
document_2762 557.4880 557.4880 None 0.208 0.941
document_362 415.3450 415.3450 None 0.207 0.944
document_1767 476.3050 476.3050 None 0.202 0.944
document_305 413.2180 413.2180 None 0.200 0.949
document_3294 608.3890 608.3890 None 0.198 0.942
document_719 426.3190 426.3190 None 0.198 0.928
document_4854 722.5010 722.5010 None 0.198 0.941
document_1523 460.3100 460.3100 None 0.196 0.964
document_1134 437.2310 437.2310 None 0.196 0.923
document_2445 526.1110 526.1110 None 0.195 0.944
document_4855 722.5020 722.5020 None 0.195 0.964
document_5096 738.4710 738.4710 None 0.193 0.960
document_1768 476.3050 476.3050 None 0.193 0.944
document_3999 679.9420 679.9420 None 0.193 0.959
document_103 402.2810 402.2810 None 0.191 0.944
document_356 415.5290 415.5290 None 0.191 0.940
document_707 426.4290 426.4290 None 0.190 0.933
document_4332 694.2360 694.2360 None 0.189 0.948
document_1128 437.2300 437.2300 None 0.183 0.944
document_3428 620.4350 620.4350 None 0.182 0.946
document_3838 660.4930 660.4930 None 0.181 0.954
document_3125 590.9690 590.9690 None 0.180 0.944
document_536 421.1950 421.1950 None 0.179 0.933
document_4844 722.4790 722.4790 None 0.178 0.969
document_4475 702.9380 702.9380 None 0.178 0.960
document_3504 630.4810 630.4810 None 0.177 0.959
document_101 402.2770 402.2770 None 0.175 0.944
document_102 402.2810 402.2810 None 0.174 0.944
document_3602 636.9010 636.9010 None 0.172 0.954
document_3538 634.4200 634.4200 None 0.172 0.944
document_2394 520.3310 520.3310 None 0.171 0.949
document_2268 507.3110 507.3110 None 0.169 0.949
document_4167 690.3100 690.3100 None 0.168 0.949
document_1033 432.2790 432.2790 None 0.167 0.944
document_143 404.2270 404.2270 None 0.166 0.944
document_5344 766.5310 766.5310 None 0.164 0.954
document_4001 678.4800 678.4800 None 0.163 0.941
document_353 414.7290 414.7290 None 0.162 0.942
document_1655 468.7380 468.7380 None 0.161 0.949
document_679 424.4000 424.4000 None 0.161 0.949
document_3991 678.4770 678.4770 None 0.159 0.951
document_4496 704.3630 704.3630 None 0.159 0.949
document_5233 746.9650 746.9650 None 0.159 0.940
document_1509 459.2810 459.2810 None 0.157 0.949
document_106 402.7470 402.7470 None 0.156 0.923
document_3281 608.2550 608.2550 None 0.155 0.964
document_2485 528.4330 528.4330 None 0.154 0.944
document_3937 674.3370 674.3370 None 0.154 0.949
document_5254 753.0550 753.0550 None 0.153 0.964
document_3996 678.4780 678.4780 None 0.152 0.954
document_307 413.2160 413.2160 None 0.151 0.944
document_5675 854.5800 854.5800 None 0.151 0.969
document_1754 475.3800 475.3800 None 0.149 0.927
document_2741 556.1060 556.1060 None 0.149 0.949
document_351 414.1660 414.1660 None 0.149 0.923
document_66 401.2470 401.2470 None 0.146 0.925
document_1764 476.3040 476.3040 None 0.146 0.946
document_398 415.2820 415.2820 None 0.145 0.922
document_2651 546.4000 546.4000 None 0.145 0.944
document_3824 658.9150 658.9150 None 0.145 0.949
document_1994 494.5650 494.5650 None 0.145 0.944
document_5479 792.5680 792.5680 None 0.144 0.949
document_3124 590.4240 590.4240 None 0.143 0.976
document_5322 763.4260 763.4260 None 0.143 0.949
document_5293 758.6970 758.6970 None 0.142 0.949
document_906 430.9210 430.9210 None 0.142 0.943
document_395 415.2570 415.2570 None 0.140 0.944
document_19 401.6520 401.6520 None 0.140 0.944
document_4873 726.3820 726.3820 None 0.139 0.949
document_4612 713.6350 713.6350 None 0.139 0.946
document_4334 694.4510 694.4510 None 0.139 0.944
document_2455 528.2010 528.2010 None 0.138 0.959
document_704 425.8140 425.8140 None 0.138 0.914
document_3875 664.4630 664.4630 None 0.137 0.944
document_2404 521.3150 521.3150 None 0.137 0.949
document_3427 620.4310 620.4310 None 0.137 0.923
document_1965 491.7910 491.7910 None 0.136 0.946
document_702 425.9320 425.9320 None 0.135 0.937
document_762 429.1730 429.1730 None 0.134 0.947
document_4626 712.4030 712.4030 None 0.134 0.936
document_2961 573.3420 573.3420 None 0.132 0.944
document_396 415.2580 415.2580 None 0.131 0.949
document_1674 469.7780 469.7780 None 0.131 0.944
document_3544 634.4490 634.4490 None 0.130 0.945
document_1765 476.3070 476.3070 None 0.130 0.949
document_301 413.2170 413.2170 None 0.129 0.948
document_3998 678.4780 678.4780 None 0.127 0.964
document_3994 678.4780 678.4780 None 0.126 0.959
document_2261 507.2570 507.2570 None 0.126 0.923
document_2026 496.3630 496.3630 None 0.126 0.944
document_361 413.5450 413.5450 None 0.125 0.922
document_5345 766.5300 766.5300 None 0.125 0.959
document_2609 544.1160 544.1160 None 0.125 0.949
document_3102 590.4380 590.4380 None 0.123 0.959
document_5497 796.5410 796.5410 None 0.122 0.944
document_3425 621.0610 621.0610 None 0.122 0.944
document_4569 708.4850 708.4850 None 0.121 0.964
document_1911 487.3580 487.3580 None 0.121 0.923
document_3770 652.1050 652.1050 None 0.121 0.941
document_4359 696.4090 696.4090 None 0.121 0.949
document_5342 766.5300 766.5300 None 0.121 0.964
document_2507 532.4540 532.4540 None 0.120 0.943
document_3542 634.4500 634.4500 None 0.120 0.959
document_44 401.7300 401.7300 None 0.120 0.923
document_3449 627.4910 627.4910 None 0.118 0.941
document_3808 658.9970 658.9970 None 0.118 0.943
document_3699 645.7760 645.7760 None 0.118 0.945
document_3541 636.4970 636.4970 None 0.117 0.949
document_3788 652.5800 652.5800 None 0.117 0.944
document_4958 732.2810 732.2810 None 0.116 0.947
document_3874 668.3900 668.3900 None 0.115 0.948
document_3426 620.4340 620.4340 None 0.115 0.959
document_4090 682.4310 682.4310 None 0.115 0.949
document_5513 802.3400 802.3400 None 0.114 0.944
document_5539 810.5530 810.5530 None 0.113 0.959
document_3543 634.4500 634.4500 None 0.113 0.959
document_3107 590.4160 590.4160 None 0.113 0.944
document_1011 430.9250 430.9250 None 0.112 0.944
document_3097 590.4170 590.4170 None 0.112 0.954
document_104 402.2820 402.2820 None 0.112 0.944
document_2556 535.8170 535.8170 None 0.111 0.944
document_3328 614.2010 614.2010 None 0.111 0.948
document_901 430.4020 430.4020 None 0.110 0.944
document_4003 678.4790 678.4790 None 0.109 0.944
document_3531 634.4240 634.4240 None 0.109 0.942
document_3601 636.9010 636.9010 None 0.109 0.944
document_544 421.2320 421.2320 None 0.108 0.949
document_1734 473.5190 473.5190 None 0.108 0.949
document_5137 742.2350 742.2350 None 0.107 0.949
document_3416 621.7690 621.7690 None 0.107 0.947
document_1129 437.2340 437.2340 None 0.107 0.923
document_528 421.1640 421.1640 None 0.107 0.923
document_4078 680.9270 680.9270 None 0.106 0.949
document_1234 442.5240 442.5240 None 0.106 0.937
document_1915 487.3630 487.3630 None 0.106 0.923
document_5349 766.5290 766.5290 None 0.106 0.954
document_3974 678.3660 678.3660 None 0.105 0.944
document_5433 778.4880 778.4880 None 0.105 0.949
document_4857 722.5040 722.5040 None 0.105 0.944
document_302 413.2150 413.2150 None 0.104 0.944
document_3225 601.1660 601.1660 None 0.104 0.947
document_4375 701.1200 701.1200 None 0.104 0.949
document_5650 840.5670 840.5670 None 0.104 0.944
document_4845 722.5010 722.5010 None 0.103 0.959
document_1766 476.3040 476.3040 None 0.102 0.944
document_5360 768.4830 768.4830 None 0.102 0.949
document_4474 703.4800 703.4800 None 0.102 0.949
document_1412 454.3760 454.3760 None 0.102 0.944
document_4851 722.5000 722.5000 None 0.100 0.944
document_3703 642.5090 642.5090 None 0.099 0.944
document_4059 679.7970 679.7970 None 0.099 0.948
document_4846 722.5000 722.5000 None 0.099 0.959
document_2985 576.4080 576.4080 None 0.099 0.944
document_3292 610.3550 610.3550 None 0.099 0.949
document_3395 617.5890 617.5890 None 0.098 0.949
document_3215 599.2450 599.2450 None 0.098 0.954
document_1922 488.2680 488.2680 None 0.097 0.949
document_5724 884.5920 884.5920 None 0.097 0.944
document_2938 570.8630 570.8630 None 0.097 0.944
document_4160 689.7310 689.7310 None 0.096 0.949
document_3012 582.6040 582.6040 None 0.096 0.949
document_3781 653.3650 653.3650 None 0.096 0.949
document_3540 634.4490 634.4490 None 0.096 0.954
document_1736 474.3260 474.3260 None 0.095 0.944
document_3072 586.6520 586.6520 None 0.095 0.948
document_4852 722.5280 722.5280 None 0.095 0.959
document_4833 720.5870 720.5870 None 0.094 0.949
document_4922 729.0710 729.0710 None 0.094 0.943
document_1826 482.1830 482.1830 None 0.094 0.944
document_3992 678.4850 678.4850 None 0.092 0.944
document_3743 649.8430 649.8430 None 0.091 0.943
document_3796 654.6110 654.6110 None 0.091 0.922
document_1028 432.2460 432.2460 None 0.091 0.944
document_3295 608.3860 608.3860 None 0.090 0.951
document_3600 636.9010 636.9010 None 0.089 0.949
document_3181 595.3800 595.3800 None 0.089 0.945
document_2312 512.5570 512.5570 None 0.089 0.949
document_2635 546.4020 546.4020 None 0.089 0.939
document_2906 569.1530 569.1530 None 0.089 0.949
document_3993 678.4800 678.4800 None 0.089 0.969
document_927 430.9100 430.9100 None 0.088 0.944
document_3264 604.9160 604.9160 None 0.088 0.948
document_2555 535.9320 535.9320 None 0.088 0.949
document_3228 601.9920 601.9920 None 0.087 0.935
document_5478 792.4950 792.4950 None 0.085 0.944
document_2063 497.8090 497.8090 None 0.083 0.938
document_3109 592.1030 592.1030 None 0.083 0.949
document_4821 718.5320 718.5320 None 0.083 0.959
document_4748 716.9490 716.9490 None 0.083 0.949
document_5351 766.5300 766.5300 None 0.082 0.944
document_152 405.6540 405.6540 None 0.082 0.923
document_2185 502.3680 502.3680 None 0.082 0.944
document_5335 766.4220 766.4220 None 0.081 0.944
document_807 429.2420 429.2420 None 0.081 0.923
document_3367 614.8110 614.8110 None 0.081 0.944
document_320 413.2330 413.2330 None 0.080 0.944
document_1022 431.9200 431.9200 None 0.079 0.944
document_5460 786.6330 786.6330 None 0.079 0.949
document_4754 718.4620 718.4620 None 0.079 0.954
document_4000 678.4780 678.4780 None 0.078 0.944
document_2806 561.9840 561.9840 None 0.078 0.922
document_1753 475.3790 475.3790 None 0.078 0.923
document_717 426.3190 426.3190 None 0.077 0.923
document_5257 752.5140 752.5140 None 0.077 0.949
document_172 406.3870 406.3870 None 0.076 0.026
document_3545 634.4520 634.4520 None 0.076 0.928
document_2833 564.3560 564.3560 None 0.076 0.944
document_312 413.2220 413.2220 None 0.076 0.923
document_4529 704.5210 704.5210 None 0.076 0.969
document_4002 678.4780 678.4780 None 0.074 0.944
document_3144 592.8750 592.8750 None 0.074 0.944
document_3532 634.4620 634.4620 None 0.073 0.944
document_540 421.2320 421.2320 None 0.073 0.944
document_2639 546.3930 546.3930 None 0.072 0.942
document_5561 817.0940 817.0940 None 0.072 0.945
document_1906 487.3100 487.3100 None 0.071 0.944
document_3603 638.5970 638.5970 None 0.070 0.949
document_4568 708.4870 708.4870 None 0.069 0.944
document_1966 491.7910 491.7910 None 0.069 0.944
document_189 407.2380 407.2380 None 0.068 0.922
document_1421 455.2570 455.2570 None 0.068 0.944
document_1162 439.5760 439.5760 None 0.068 0.949
document_2670 548.8500 548.8500 None 0.068 0.944
document_588 421.2320 421.2320 None 0.068 0.923
document_3684 641.0350 641.0350 None 0.068 0.949
document_1019 431.2510 431.2510 None 0.068 0.923
document_156 405.1970 405.1970 None 0.067 0.923
document_1559 463.2730 463.2730 None 0.067 0.949
document_2652 546.3980 546.3980 None 0.067 0.944
document_3997 678.4810 678.4810 None 0.067 0.944
document_3876 664.4590 664.4590 None 0.067 0.959
document_3877 665.7930 665.7930 None 0.066 0.944
document_3054 585.6170 585.6170 None 0.066 0.949
document_3825 658.9140 658.9140 None 0.065 0.949
document_4565 708.9600 708.9600 None 0.065 0.949
document_907 430.9080 430.9080 None 0.065 0.944
document_1893 487.0680 487.0680 None 0.065 0.927
document_2696 552.2490 552.2490 None 0.064 0.964
document_2113 498.8990 498.8990 None 0.064 0.927
document_921 430.9080 430.9080 None 0.064 0.944
document_270 413.2130 413.2130 None 0.063 0.923
document_1172 440.2490 440.2490 None 0.062 0.927
document_2636 546.3720 546.3720 None 0.062 0.944
document_2397 520.3340 520.3340 None 0.062 0.944
document_1034 432.2780 432.2780 None 0.061 0.944
document_2446 525.3490 525.3490 None 0.061 0.949
document_5694 865.5290 865.5290 None 0.060 0.951
document_5442 782.0110 782.0110 None 0.059 0.949
document_909 430.9080 430.9080 None 0.059 0.944
document_5234 746.9650 746.9650 None 0.059 0.949
document_1579 463.2980 463.2980 None 0.059 0.944
document_1012 430.9260 430.9260 None 0.058 0.944
document_2330 513.6110 513.6110 None 0.058 0.944
document_3278 607.6040 607.6040 None 0.058 0.949
document_1345 447.7660 447.7660 None 0.058 0.949
document_1507 459.7230 459.7230 None 0.057 0.944
document_910 430.9100 430.9100 None 0.056 0.944
document_516 420.1280 420.1280 None 0.056 0.922
document_5347 766.5290 766.5290 None 0.055 0.949
document_3293 608.3820 608.3820 None 0.055 0.944
document_4871 724.9530 724.9530 None 0.055 0.944
document_5279 757.3230 757.3230 None 0.055 0.923
document_5496 796.9550 796.9550 None 0.055 0.944
document_953 430.9130 430.9130 None 0.054 0.923
document_1750 475.3570 475.3570 None 0.054 0.922
document_978 430.9130 430.9130 None 0.054 0.923
document_5414 772.5440 772.5440 None 0.053 0.949
document_1466 457.3170 457.3170 None 0.053 0.919
document_2519 532.3700 532.3700 None 0.052 0.944
document_269 413.2040 413.2040 None 0.052 0.923
document_5415 773.0530 773.0530 None 0.052 0.942
document_2095 498.8990 498.8990 None 0.052 0.944
document_691 426.0030 426.0030 None 0.051 0.923

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.