Mass2Motif: motif_87

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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 0.9173145212924068. 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 0.837
fragment_133.0500 0.026
fragment_87.0500 0.010
fragment_147.0500 0.009
fragment_85.0500 0.005
fragment_877.5500 0.003
fragment_765.1500 0.003
fragment_977.5500 0.003
fragment_876.8500 0.002
fragment_178.1500 0.002
fragment_764.7500 0.002
fragment_877.1500 0.002
fragment_765.4500 0.002
fragment_755.4500 0.001
fragment_685.4500 0.001
fragment_721.4500 0.001
fragment_718.6500 0.001
fragment_447.7500 0.001
fragment_259.1500 0.001
fragment_818.4500 0.001
fragment_721.6500 0.001
fragment_981.6500 0.001
fragment_173.1500 0.001

Counts of Classyfire Substituent terms

Term name Count in motif Percentage in motif Percentage in experiment Absolute difference
Hydrocarbon derivative 242 100 100 0
Organooxygen compound 231 95.5 95.3 0.1
Carbonyl group 115 47.5 44.0 3.5
Benzenoid 79 32.6 18.3 14.3
Alcohol 58 24.0 14.7 9.3
Secondary alcohol 46 19.0 7.7 11.3
Oxacycle 37 15.3 7.9 7.4
Organic nitrogen compound 33 13.6 55.6 42.0
Organoheterocyclic compound 32 13.2 13.3 0.1
Organonitrogen compound 26 10.7 54.1 43.4
Aromatic heteropolycyclic compound 20 8.3 9.6 1.4
1-hydroxy-2-unsubstituted benzenoid 16 6.6 1.3 5.3
Organopnictogen compound 16 6.6 45.2 38.6
Oxane 11 4.5 1.9 2.6
Polyol 11 4.5 1.6 3.0
Azacycle 9 3.7 22.6 18.9
O-glycosyl compound 8 3.3 1.2 2.1
Acetal 6 2.5 1.5 1.0
Carboxylic acid ester 6 2.5 1.8 0.7
Primary alcohol 5 2.1 0.9 1.2
Heteroaromatic compound 4 1.7 5.8 4.1
Phenol 3 1.2 0.5 0.8
Glycosyl compound 2 0.8 0.7 0.1
Aromatic homomonocyclic compound 1 0.4 0.1 0.4
Amine 1 0.4 4.4 4.0

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_3854 662.4090 662.4090 None 0.785 0.891
document_2995 578.1710 578.1710 None 0.710 0.892
document_2063 497.8090 497.8090 None 0.614 0.865
document_3395 617.5890 617.5890 None 0.541 0.880
document_3294 608.3890 608.3890 None 0.536 0.868
document_305 413.2180 413.2180 None 0.526 0.865
document_2609 544.1160 544.1160 None 0.496 0.878
document_3225 601.1660 601.1660 None 0.472 0.875
document_3328 614.2010 614.2010 None 0.468 0.877
document_5041 737.9280 737.9280 None 0.465 0.873
document_5096 738.4710 738.4710 None 0.439 0.869
document_5360 768.4830 768.4830 None 0.423 0.867
document_3937 674.3370 674.3370 None 0.403 0.875
document_3701 643.0690 643.0690 None 0.397 0.866
document_3425 621.0610 621.0610 None 0.383 0.883
document_3449 627.4910 627.4910 None 0.356 0.866
document_356 415.5290 415.5290 None 0.349 0.863
document_1030 432.2380 432.2380 None 0.349 0.873
document_3808 658.9970 658.9970 None 0.342 0.876
document_4844 722.4790 722.4790 None 0.336 0.889
document_4332 694.2360 694.2360 None 0.333 0.867
document_3127 590.4260 590.4260 None 0.330 0.837
document_302 413.2150 413.2150 None 0.328 0.867
document_2192 503.7630 503.7630 None 0.327 0.872
document_77 401.2830 401.2830 None 0.327 0.849
document_679 424.4000 424.4000 None 0.322 0.861
document_1523 460.3100 460.3100 None 0.321 0.873
document_3541 636.4970 636.4970 None 0.317 0.863
document_1028 432.2460 432.2460 None 0.315 0.872
document_3012 582.6040 582.6040 None 0.309 0.878
document_5650 840.5670 840.5670 None 0.309 0.876
document_2485 528.4330 528.4330 None 0.304 0.864
document_301 413.2170 413.2170 None 0.299 0.864
document_1769 476.3070 476.3070 None 0.298 0.873
document_2654 546.3990 546.3990 None 0.294 0.856
document_4003 678.4790 678.4790 None 0.293 0.863
document_396 415.2580 415.2580 None 0.283 0.873
document_1655 468.7380 468.7380 None 0.282 0.869
document_3072 586.6520 586.6520 None 0.280 0.867
document_3546 634.4520 634.4520 None 0.277 0.837
document_2669 548.8430 548.8430 None 0.275 0.861
document_1406 453.7830 453.7830 None 0.274 0.835
document_2386 518.7780 518.7780 None 0.273 0.862
document_2651 546.4000 546.4000 None 0.269 0.873
document_1966 491.7910 491.7910 None 0.266 0.859
document_5724 884.5920 884.5920 None 0.266 0.876
document_5335 766.4220 766.4220 None 0.256 0.876
document_4568 708.4870 708.4870 None 0.255 0.878
document_2404 521.3150 521.3150 None 0.253 0.863
document_353 414.7290 414.7290 None 0.248 0.873
document_2655 546.4000 546.4000 None 0.247 0.837
document_3109 592.1030 592.1030 None 0.247 0.868
document_4496 704.3630 704.3630 None 0.246 0.873
document_2762 557.4880 557.4880 None 0.245 0.864
document_2364 516.3000 516.3000 None 0.242 0.846
document_395 415.2570 415.2570 None 0.241 0.864
document_5497 796.5410 796.5410 None 0.239 0.883
document_5257 752.5140 752.5140 None 0.234 0.866
document_4090 682.4310 682.4310 None 0.233 0.865
document_3416 621.7690 621.7690 None 0.233 0.861
document_4833 720.5870 720.5870 None 0.232 0.866
document_3974 678.3660 678.3660 None 0.232 0.870
document_19 401.6520 401.6520 None 0.227 0.864
document_2988 576.4100 576.4100 None 0.225 0.842
document_2393 520.2400 520.2400 None 0.225 0.837
document_3278 607.6040 607.6040 None 0.225 0.879
document_1128 437.2300 437.2300 None 0.224 0.868
document_103 402.2810 402.2810 None 0.223 0.864
document_1994 494.5650 494.5650 None 0.222 0.864
document_2445 526.1110 526.1110 None 0.220 0.863
document_4167 690.3100 690.3100 None 0.220 0.876
document_3108 590.3970 590.3970 None 0.218 0.856
document_4160 689.7310 689.7310 None 0.217 0.865
document_102 402.2810 402.2810 None 0.216 0.864
document_3428 620.4350 620.4350 None 0.216 0.873
document_3699 645.7760 645.7760 None 0.215 0.861
document_1740 476.3050 476.3050 None 0.214 0.873
document_3122 591.4560 591.4560 None 0.211 0.873
document_689 425.1270 425.1270 None 0.211 0.863
document_1728 473.3440 473.3440 None 0.210 0.837
document_4873 726.3820 726.3820 None 0.210 0.873
document_3429 620.4370 620.4370 None 0.209 0.841
document_5336 766.5040 766.5040 None 0.208 0.861
document_1736 474.3260 474.3260 None 0.208 0.871
document_4612 713.6350 713.6350 None 0.206 0.871
document_143 404.2270 404.2270 None 0.205 0.873
document_1906 487.3100 487.3100 None 0.204 0.858
document_1907 487.8990 487.8990 None 0.200 0.852
document_104 402.2820 402.2820 None 0.199 0.864
document_4059 679.7970 679.7970 None 0.198 0.874
document_3788 652.5800 652.5800 None 0.197 0.864
document_4847 722.4570 722.4570 None 0.195 0.842
document_3743 649.8430 649.8430 None 0.192 0.859
document_2520 532.3840 532.3840 None 0.192 0.837
document_3292 610.3550 610.3550 None 0.192 0.867
document_3875 664.4630 664.4630 None 0.190 0.882
document_3874 668.3900 668.3900 None 0.189 0.860
document_3685 640.4030 640.4030 None 0.184 0.863
document_3293 608.3820 608.3820 None 0.184 0.865
document_2820 563.3870 563.3870 None 0.182 0.837
document_3593 636.4160 636.4160 None 0.181 0.875
document_1022 431.9200 431.9200 None 0.177 0.864
document_4958 732.2810 732.2810 None 0.177 0.874
document_1674 469.7780 469.7780 None 0.175 0.873
document_3107 590.4160 590.4160 None 0.173 0.881
document_2652 546.3980 546.3980 None 0.173 0.859
document_1768 476.3050 476.3050 None 0.173 0.864
document_101 402.2770 402.2770 None 0.172 0.864
document_5236 748.0030 748.0030 None 0.169 0.860
document_5137 742.2350 742.2350 None 0.168 0.874
document_5351 766.5300 766.5300 None 0.168 0.864
document_1734 473.5190 473.5190 None 0.167 0.864
document_5254 753.0550 753.0550 None 0.166 0.882
document_4004 678.4970 678.4970 None 0.165 0.837
document_3888 665.5820 665.5820 None 0.164 0.858
document_5694 865.5290 865.5290 None 0.163 0.863
document_5293 758.6970 758.6970 None 0.161 0.873
document_4475 702.9380 702.9380 None 0.160 0.862
document_1 299.9970 299.9970 None 0.159 0.837
document_94 401.3000 401.3000 None 0.158 0.837
document_3684 641.0350 641.0350 None 0.158 0.869
document_2082 498.6830 498.6830 None 0.157 0.852
document_1749 476.2950 476.2950 None 0.157 0.875
document_2906 569.1530 569.1530 None 0.157 0.875
document_4748 716.9490 716.9490 None 0.155 0.857
document_5344 766.5310 766.5310 None 0.154 0.864
document_1590 463.3020 463.3020 None 0.151 0.837
document_1560 463.2750 463.2750 None 0.151 0.861
document_609 421.2320 421.2320 None 0.149 0.837
document_687 424.7620 424.7620 None 0.148 0.860
document_1026 431.7700 431.7700 None 0.146 0.875
document_314 413.9000 413.9000 None 0.146 0.866
document_1392 452.3180 452.3180 None 0.145 0.837
document_827 429.2460 429.2460 None 0.143 0.863
document_4375 701.1200 701.1200 None 0.142 0.863
document_4565 708.9600 708.9600 None 0.141 0.866
document_1579 463.2980 463.2980 None 0.140 0.869
document_3264 604.9160 604.9160 None 0.139 0.861
document_1033 432.2790 432.2790 None 0.137 0.874
document_5241 748.4730 748.4730 None 0.136 0.873
document_544 421.2320 421.2320 None 0.135 0.862
document_3601 636.9010 636.9010 None 0.134 0.869
document_1589 463.3010 463.3010 None 0.132 0.837
document_2396 520.3150 520.3150 None 0.128 0.866
document_2987 576.4100 576.4100 None 0.127 0.858
document_1297 443.3310 443.3310 None 0.126 0.837
document_310 413.2160 413.2160 None 0.126 0.837
document_76 401.2630 401.2630 None 0.126 0.863
document_2507 532.4540 532.4540 None 0.126 0.882
document_5414 772.5440 772.5440 None 0.125 0.864
document_248 412.2360 412.2360 None 0.125 0.837
document_3295 608.3860 608.3860 None 0.124 0.857
document_3538 634.4200 634.4200 None 0.124 0.873
document_822 429.2460 429.2460 None 0.124 0.837
document_362 415.3450 415.3450 None 0.124 0.864
document_3503 630.3830 630.3830 None 0.123 0.860
document_1311 443.3470 443.3470 None 0.120 0.837
document_247 412.9700 412.9700 None 0.118 0.836
document_2937 570.8640 570.8640 None 0.118 0.863
document_5561 817.0940 817.0940 None 0.118 0.870
document_3521 632.4050 632.4050 None 0.116 0.857
document_618 421.2320 421.2320 None 0.113 0.837
document_3781 653.3650 653.3650 None 0.113 0.874
document_3356 613.2480 613.2480 None 0.110 0.837
document_1012 430.9260 430.9260 None 0.109 0.864
document_907 430.9080 430.9080 None 0.108 0.864
document_1762 476.2750 476.2750 None 0.108 0.837
document_364 414.0620 414.0620 None 0.106 0.836
document_319 413.2340 413.2340 None 0.106 0.837
document_1230 442.0640 442.0640 None 0.105 0.837
document_5348 766.5290 766.5290 None 0.105 0.837
document_357 413.2800 413.2800 None 0.102 0.834
document_2955 574.2950 574.2950 None 0.102 0.875
document_1922 488.2680 488.2680 None 0.099 0.878
document_1916 487.3640 487.3640 None 0.099 0.837
document_1480 458.1980 458.1980 None 0.099 0.837
document_5331 763.5830 763.5830 None 0.097 0.861
document_5415 773.0530 773.0530 None 0.096 0.874
document_5442 782.0110 782.0110 None 0.095 0.873
document_1138 437.2310 437.2310 None 0.095 0.856
document_703 425.8320 425.8320 None 0.094 0.837
document_2175 500.3600 500.3600 None 0.094 0.864
document_4922 729.0710 729.0710 None 0.093 0.866
document_863 430.2100 430.2100 None 0.091 0.859
document_540 421.2320 421.2320 None 0.090 0.867
document_4424 702.8590 702.8590 None 0.090 0.837
document_948 430.9120 430.9120 None 0.088 0.847
document_2026 496.3630 496.3630 None 0.086 0.864
document_2985 576.4080 576.4080 None 0.084 0.874
document_918 430.9080 430.9080 None 0.081 0.869
document_1034 432.2780 432.2780 None 0.080 0.860
document_641 421.2340 421.2340 None 0.079 0.837
document_3916 669.3460 669.3460 None 0.079 0.868
document_2636 546.3720 546.3720 None 0.078 0.868
document_10 401.2340 401.2340 None 0.077 0.838
document_5135 740.4600 740.4600 None 0.076 0.837
document_3126 591.6130 591.6130 None 0.074 0.861
document_4996 734.4010 734.4010 None 0.074 0.860
document_1732 473.3440 473.3440 None 0.074 0.837
document_3188 595.3820 595.3820 None 0.072 0.837
document_927 430.9100 430.9100 None 0.072 0.873
document_1470 457.3230 457.3230 None 0.070 0.837
document_541 421.2290 421.2290 None 0.070 0.834
document_4359 696.4090 696.4090 None 0.069 0.864
document_3426 620.4340 620.4340 None 0.069 0.873
document_4129 683.4390 683.4390 None 0.068 0.836
document_394 415.2570 415.2570 None 0.068 0.837
document_4001 678.4800 678.4800 None 0.068 0.871
document_3102 590.4380 590.4380 None 0.067 0.878
document_4846 722.5000 722.5000 None 0.066 0.880
document_1912 487.3570 487.3570 None 0.065 0.852
document_3991 678.4770 678.4770 None 0.065 0.887
document_5245 749.5670 749.5670 None 0.065 0.837
document_1306 443.3320 443.3320 None 0.065 0.837
document_205 408.3070 408.3070 None 0.064 0.839
document_865 430.2260 430.2260 None 0.064 0.837
document_2468 527.3160 527.3160 None 0.064 0.847
document_3775 651.3190 651.3190 None 0.063 0.847
document_1068 433.2910 433.2910 None 0.063 0.837
document_1763 476.2770 476.2770 None 0.063 0.831
document_1817 481.2750 481.2750 None 0.063 0.837
document_260 413.2040 413.2040 None 0.063 0.837
document_780 429.1790 429.1790 None 0.062 0.837
document_2185 502.3680 502.3680 None 0.061 0.878
document_3203 597.5220 597.5220 None 0.061 0.857
document_3228 601.9920 601.9920 None 0.061 0.873
document_1294 443.3310 443.3310 None 0.060 0.837
document_2184 501.3660 501.3660 None 0.060 0.837
document_1282 443.3170 443.3170 None 0.060 0.837
document_2501 530.3320 530.3320 None 0.059 0.873
document_926 430.9110 430.9110 None 0.059 0.864
document_2593 541.1960 541.1960 None 0.057 0.837
document_1508 459.2800 459.2800 None 0.055 0.836
document_5496 796.9550 796.9550 None 0.055 0.873
document_1826 482.1830 482.1830 None 0.053 0.864
document_3017 581.1760 581.1760 None 0.052 0.870
document_701 425.2270 425.2270 None 0.052 0.863
document_5329 763.4040 763.4040 None 0.051 0.864
document_3349 613.2480 613.2480 None 0.051 0.837
document_1421 455.2570 455.2570 None 0.051 0.864
document_4109 683.3550 683.3550 None 0.051 0.863
document_884 430.3870 430.3870 None 0.050 0.837

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.