Mass2Motif: motif_251

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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 0.9839596782250192. 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_71.0500 0.946
fragment_334.1500 0.015
fragment_166.1500 0.006
fragment_308.2500 0.004
fragment_159.9500 0.003
loss_191.0500 0.003
fragment_60.4500 0.002
loss_140.2500 0.002
fragment_163.1500 0.002
fragment_149.0500 0.002

Counts of Classyfire Substituent terms

Term name Count in motif Percentage in motif Percentage in experiment Absolute difference
Hydrocarbon derivative 143 100 100 0
Organooxygen compound 138 96.5 95.3 1.2
Carbonyl group 89 62.2 44.0 18.2
Organic nitrogen compound 46 32.2 55.6 23.5
Organonitrogen compound 45 31.5 54.1 22.6
Alcohol 35 24.5 14.7 9.8
Aliphatic acyclic compound 31 21.7 2.9 18.7
Organopnictogen compound 26 18.2 45.2 27.1
Secondary alcohol 22 15.4 7.7 7.7
Benzenoid 21 14.7 18.3 3.7
Organoheterocyclic compound 18 12.6 13.3 0.7
Oxacycle 17 11.9 7.9 4.0
Azacycle 8 5.6 22.6 17.0
Oxane 7 4.9 1.9 3.0
Aromatic heteropolycyclic compound 6 4.2 9.6 5.5
O-glycosyl compound 6 4.2 1.2 3.0
Polyol 6 4.2 1.6 2.6
Acetal 5 3.5 1.5 2.0
Carboxylic acid ester 3 2.1 1.8 0.3
Glycosyl compound 3 2.1 0.7 1.4
Heteroaromatic compound 1 0.7 5.8 5.1
Carboxamide group 1 0.7 5.5 4.8
1-hydroxy-2-unsubstituted benzenoid 1 0.7 1.3 0.6

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_2161 499.2660 499.2660 None 0.445 0.022
document_4184 689.6260 689.6260 None 0.353 0.951
document_4826 718.5370 718.5370 None 0.331 0.946
document_1648 468.3060 468.3060 None 0.280 0.951
document_4274 691.4420 691.4420 None 0.271 0.946
document_4217 690.4010 690.4010 None 0.262 0.946
document_2569 537.4880 537.4880 None 0.252 0.945
document_2263 507.2980 507.2980 None 0.241 0.948
document_4252 690.4450 690.4450 None 0.236 0.946
document_2623 543.3530 543.3530 None 0.199 0.947
document_509 419.3140 419.3140 None 0.194 0.947
document_4170 690.0860 690.0860 None 0.191 0.946
document_2460 526.8380 526.8380 None 0.181 0.944
document_4298 692.4160 692.4160 None 0.175 0.946
document_2653 546.3990 546.3990 None 0.173 0.953
document_2516 531.4070 531.4070 None 0.171 0.945
document_3546 634.4520 634.4520 None 0.170 0.947
document_3108 590.3970 590.3970 None 0.169 0.946
document_3701 643.0690 643.0690 None 0.164 0.944
document_1607 465.2400 465.2400 None 0.155 0.946
document_4264 690.4020 690.4020 None 0.155 0.946
document_5347 766.5290 766.5290 None 0.151 0.939
document_3287 607.5660 607.5660 None 0.149 0.945
document_3974 678.3660 678.3660 None 0.147 0.946
document_3121 590.4180 590.4180 None 0.146 0.945
document_4835 720.6570 720.6570 None 0.141 0.945
document_2670 548.8500 548.8500 None 0.140 0.945
document_4855 722.5020 722.5020 None 0.139 0.940
document_1137 437.2390 437.2390 None 0.139 0.945
document_407 415.3020 415.3020 None 0.137 0.946
document_3651 639.3270 639.3270 None 0.136 0.945
document_4782 718.4460 718.4460 None 0.134 0.945
document_4231 690.4010 690.4010 None 0.134 0.946
document_1029 432.2400 432.2400 None 0.133 0.946
document_4825 718.5380 718.5380 None 0.132 0.939
document_2572 537.4880 537.4880 None 0.132 0.947
document_4228 690.4010 690.4010 None 0.131 0.942
document_3538 634.4200 634.4200 None 0.129 0.942
document_1489 457.4010 457.4010 None 0.129 0.951
document_4304 692.4670 692.4670 None 0.122 0.946
document_5165 740.5190 740.5190 None 0.121 0.944
document_2462 526.8380 526.8380 None 0.121 0.947
document_2515 531.4070 531.4070 None 0.119 0.945
document_1488 457.4000 457.4000 None 0.118 0.945
document_1424 455.3140 455.3140 None 0.116 0.945
document_4211 690.4010 690.4010 None 0.116 0.947
document_2938 570.8630 570.8630 None 0.115 0.945
document_1440 455.3340 455.3340 None 0.115 0.951
document_711 425.9060 425.9060 None 0.115 0.945
document_3107 590.4160 590.4160 None 0.115 0.942
document_4249 690.4640 690.4640 None 0.113 0.946
document_4221 690.4010 690.4010 None 0.112 0.947
document_5206 744.4430 744.4430 None 0.112 0.946
document_4844 722.4790 722.4790 None 0.112 0.945
document_2651 546.4000 546.4000 None 0.111 0.943
document_4786 718.4770 718.4770 None 0.110 0.945
document_753 428.4460 428.4460 None 0.109 0.945
document_713 426.2220 426.2220 None 0.108 0.945
document_641 421.2340 421.2340 None 0.108 0.946
document_4766 718.4560 718.4560 None 0.108 0.945
document_4774 718.4300 718.4300 None 0.107 0.949
document_5047 738.3960 738.3960 None 0.105 0.945
document_4847 722.4570 722.4570 None 0.105 0.944
document_4246 690.4320 690.4320 None 0.104 0.947
document_4220 690.4010 690.4010 None 0.104 0.946
document_2681 551.3710 551.3710 None 0.099 0.946
document_5233 746.9650 746.9650 None 0.099 0.945
document_2459 526.8370 526.8370 None 0.098 0.942
document_4225 690.4020 690.4020 None 0.098 0.947
document_5345 766.5300 766.5300 None 0.098 0.946
document_4213 690.4010 690.4010 None 0.098 0.946
document_720 426.3580 426.3580 None 0.096 0.945
document_2057 498.5070 498.5070 None 0.096 0.946
document_4261 690.4420 690.4420 None 0.095 0.949
document_2798 561.3020 561.3020 None 0.095 0.015
document_5335 766.4220 766.4220 None 0.095 0.943
document_2446 525.3490 525.3490 None 0.095 0.944
document_1318 444.9200 444.9200 None 0.094 0.944
document_1159 439.2780 439.2780 None 0.092 0.936
document_1350 448.2400 448.2400 None 0.092 0.945
document_2654 546.3990 546.3990 None 0.091 0.947
document_2211 504.8250 504.8250 None 0.091 0.945
document_4174 690.0700 690.0700 None 0.091 0.946
document_5352 766.5300 766.5300 None 0.090 0.945
document_2794 560.4800 560.4800 None 0.090 0.946
document_4997 734.4320 734.4320 None 0.089 0.945
document_5129 740.4900 740.4900 None 0.089 0.945
document_314 413.9000 413.9000 None 0.087 0.946
document_1674 469.7780 469.7780 None 0.086 0.946
document_4275 690.5060 690.5060 None 0.086 0.946
document_1835 482.8960 482.8960 None 0.086 0.945
document_4206 690.4020 690.4020 None 0.082 0.945
document_4260 690.4300 690.4300 None 0.081 0.945
document_3144 592.8750 592.8750 None 0.081 0.945
document_3824 658.9150 658.9150 None 0.080 0.945
document_192 408.0990 408.0990 None 0.080 0.945
document_4267 690.4560 690.4560 None 0.078 0.946
document_5351 766.5300 766.5300 None 0.076 0.942
document_2229 506.5280 506.5280 None 0.072 0.938
document_4999 734.3780 734.3780 None 0.071 0.942
document_4769 718.4710 718.4710 None 0.070 0.949
document_3995 678.4780 678.4780 None 0.070 0.947
document_4215 690.4010 690.4010 None 0.070 0.946
document_4187 690.0880 690.0880 None 0.070 0.947
document_1410 454.2910 454.2910 None 0.069 0.945
document_1799 480.3820 480.3820 None 0.069 0.945
document_834 430.1070 430.1070 None 0.069 0.946
document_193 407.2790 407.2790 None 0.069 0.941
document_4665 716.4150 716.4150 None 0.068 0.945
document_434 418.8080 418.8080 None 0.067 0.945
document_1187 440.2780 440.2780 None 0.067 0.945
document_1588 463.3010 463.3010 None 0.067 0.942
document_619 421.2320 421.2320 None 0.067 0.945
document_1961 491.2120 491.2120 None 0.066 0.946
document_142 404.1360 404.1360 None 0.066 0.944
document_3994 678.4780 678.4780 None 0.066 0.946
document_4554 706.3970 706.3970 None 0.065 0.944
document_326 413.2600 413.2600 None 0.064 0.941
document_3825 658.9140 658.9140 None 0.063 0.945
document_4078 680.9270 680.9270 None 0.063 0.951
document_4602 710.4560 710.4560 None 0.063 0.939
document_3367 614.8110 614.8110 None 0.062 0.945
document_3991 678.4770 678.4770 None 0.061 0.946
document_4597 712.1910 712.1910 None 0.061 0.941
document_4180 689.0870 689.0870 None 0.060 0.945
document_5118 740.4090 740.4090 None 0.060 0.942
document_229 410.3490 410.3490 None 0.060 0.945
document_4005 678.4840 678.4840 None 0.058 0.938
document_3142 592.7360 592.7360 None 0.058 0.945
document_1872 485.2910 485.2910 None 0.058 0.946
document_492 419.2770 419.2770 None 0.058 0.944
document_2080 498.3280 498.3280 None 0.056 0.945
document_1495 458.3460 458.3460 None 0.055 0.946
document_5122 740.4350 740.4350 None 0.055 0.947
document_3531 634.4240 634.4240 None 0.054 0.946
document_4324 692.5170 692.5170 None 0.053 0.945
document_5539 810.5530 810.5530 None 0.053 0.946
document_102 402.2810 402.2810 None 0.053 0.945
document_5108 740.4560 740.4560 None 0.052 0.949
document_170 406.3540 406.3540 None 0.052 0.945
document_4773 718.4300 718.4300 None 0.052 0.949
document_4301 692.4980 692.4980 None 0.052 0.941
document_3600 636.9010 636.9010 None 0.052 0.945

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.