Mass2Motif: motif_164

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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 0.9857274593992088. 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_97.0500 0.703
fragment_69.0500 0.154
fragment_121.0500 0.079
fragment_265.1500 0.007
fragment_180.9500 0.007
fragment_86.8500 0.007
fragment_55.0500 0.004
fragment_329.6500 0.003
fragment_543.1500 0.003
fragment_371.9500 0.003
loss_183.2500 0.002
fragment_95.7500 0.002
fragment_575.9500 0.002
fragment_178.9500 0.002
fragment_510.7500 0.002
fragment_136.8500 0.002
fragment_333.1500 0.001
fragment_403.1500 0.001

Counts of Classyfire Substituent terms

Term name Count in motif Percentage in motif Percentage in experiment Absolute difference
Hydrocarbon derivative 134 100 100 0
Organooxygen compound 111 82.8 95.3 12.5
Carbonyl group 68 50.7 44.0 6.7
Alcohol 46 34.3 14.7 19.7
Organonitrogen compound 43 32.1 54.1 22.0
Organic nitrogen compound 42 31.3 55.6 24.3
Organopnictogen compound 30 22.4 45.2 22.9
Secondary alcohol 22 16.4 7.7 8.7
Aliphatic acyclic compound 16 11.9 2.9 9.0
Organoheterocyclic compound 12 9.0 13.3 4.4
Azacycle 12 9.0 22.6 13.7
Oxacycle 10 7.5 7.9 0.4
Primary alcohol 5 3.7 0.9 2.9
Oxane 5 3.7 1.9 1.8
O-glycosyl compound 5 3.7 1.2 2.5
Polyol 5 3.7 1.6 2.1
Heteroaromatic compound 4 3.0 5.8 2.8
Acetal 4 3.0 1.5 1.5
Aromatic heteropolycyclic compound 3 2.2 9.6 7.4
Glycosyl compound 3 2.2 0.7 1.5
Carboxylic acid ester 2 1.5 1.8 0.3
Benzenoid 2 1.5 18.3 16.9

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_5188 744.4430 744.4430 None 0.636 0.952
document_4884 726.3950 726.3950 None 0.527 0.725
document_4531 705.5430 705.5430 None 0.515 0.793
document_4252 690.4450 690.4450 None 0.375 0.861
document_5067 738.3950 738.3950 None 0.282 0.860
document_5206 744.4430 744.4430 None 0.258 0.786
document_4231 690.4010 690.4010 None 0.250 0.864
document_3079 587.2980 587.2980 None 0.248 0.861
document_3129 593.8420 593.8420 None 0.245 0.861
document_4825 718.5380 718.5380 None 0.209 0.782
document_4274 691.4420 691.4420 None 0.208 0.158
document_2419 523.2030 523.2030 None 0.198 0.857
document_4304 692.4670 692.4670 None 0.193 0.703
document_4732 716.4680 716.4680 None 0.178 0.705
document_2291 510.3740 510.3740 None 0.174 0.861
document_4509 704.4870 704.4870 None 0.166 0.857
document_4719 716.4150 716.4150 None 0.164 0.938
document_4703 716.4150 716.4150 None 0.163 0.863
document_4729 716.4160 716.4160 None 0.161 0.935
document_4601 710.4350 710.4350 None 0.161 0.701
document_4517 705.0320 705.0320 None 0.160 0.857
document_190 408.1590 408.1590 None 0.158 0.782
document_4395 702.4010 702.4010 None 0.154 0.785
document_4713 716.4150 716.4150 None 0.151 0.939
document_4164 688.3860 688.3860 None 0.148 0.702
document_2681 551.3710 551.3710 None 0.148 0.703
document_4521 704.4280 704.4280 None 0.146 0.857
document_2686 550.2990 550.2990 None 0.145 0.781
document_4724 716.4160 716.4160 None 0.145 0.703
document_331 413.2410 413.2410 None 0.140 0.703
document_5114 740.4490 740.4490 None 0.139 0.863
document_1284 443.7330 443.7330 None 0.138 0.703
document_1994 494.5650 494.5650 None 0.133 0.703
document_2252 506.5280 506.5280 None 0.133 0.697
document_5189 744.4430 744.4430 None 0.133 0.941
document_5196 744.4430 744.4430 None 0.130 0.707
document_5077 738.4280 738.4280 None 0.130 0.702
document_3614 638.2680 638.2680 None 0.128 0.782
document_5204 744.4430 744.4430 None 0.128 0.866
document_4170 690.0860 690.0860 None 0.122 0.789
document_3256 603.2950 603.2950 None 0.122 0.703
document_4741 716.4830 716.4830 None 0.122 0.697
document_2572 537.4880 537.4880 None 0.121 0.703
document_4618 712.3820 712.3820 None 0.117 0.705
document_5161 740.5190 740.5190 None 0.115 0.702
document_4516 704.4150 704.4150 None 0.115 0.232
document_1605 465.2320 465.2320 None 0.115 0.861
document_4259 690.4450 690.4450 None 0.114 0.857
document_3672 639.4080 639.4080 None 0.112 0.703
document_5180 744.4430 744.4430 None 0.111 0.862
document_4705 716.4150 716.4150 None 0.110 0.936
document_3287 607.5660 607.5660 None 0.109 0.703
document_2257 506.5300 506.5300 None 0.106 0.700
document_344 413.2520 413.2520 None 0.105 0.703
document_385 415.1240 415.1240 None 0.103 0.703
document_2747 555.2920 555.2920 None 0.102 0.703
document_4718 716.4150 716.4150 None 0.101 0.857
document_4709 716.4150 716.4150 None 0.100 0.857
document_319 413.2340 413.2340 None 0.099 0.703
document_1686 471.2140 471.2140 None 0.099 0.703
document_1454 457.2720 457.2720 None 0.098 0.857
document_4308 692.5180 692.5180 None 0.098 0.707
document_1715 473.2310 473.2310 None 0.097 0.857
document_4207 690.4010 690.4010 None 0.096 0.934
document_5116 740.4100 740.4100 None 0.096 0.856
document_4301 692.4980 692.4980 None 0.094 0.703
document_4702 716.4150 716.4150 None 0.092 0.864
document_4715 716.4610 716.4610 None 0.092 0.707
document_4653 714.5020 714.5020 None 0.091 0.702
document_4211 690.4010 690.4010 None 0.091 0.703
document_3269 604.3790 604.3790 None 0.089 0.857
document_4204 690.4010 690.4010 None 0.088 0.786
document_5192 744.4710 744.4710 None 0.087 0.855
document_5209 744.4430 744.4430 None 0.087 0.866
document_153 405.1150 405.1150 None 0.086 0.857
document_5089 738.3960 738.3960 None 0.086 0.857
document_4711 716.4770 716.4770 None 0.085 0.707
document_3965 675.6740 675.6740 None 0.085 0.861
document_3202 597.5190 597.5190 None 0.085 0.861
document_4221 690.4010 690.4010 None 0.084 0.083
document_5093 738.3960 738.3960 None 0.084 0.857
document_4782 718.4460 718.4460 None 0.084 0.703
document_5185 744.4430 744.4430 None 0.083 0.865
document_4681 716.4470 716.4470 None 0.082 0.934
document_3504 630.4810 630.4810 None 0.081 0.703
document_4699 716.4150 716.4150 None 0.081 0.940
document_2234 506.5280 506.5280 None 0.081 0.860
document_4622 712.4170 712.4170 None 0.080 0.702
document_4174 690.0700 690.0700 None 0.078 0.703
document_4256 690.4020 690.4020 None 0.077 0.861
document_5098 738.5040 738.5040 None 0.077 0.701
document_5001 734.4040 734.4040 None 0.076 0.853
document_792 429.1790 429.1790 None 0.075 0.707
document_4780 718.4290 718.4290 None 0.074 0.710
document_549 421.2310 421.2310 None 0.074 0.703
document_355 413.7470 413.7470 None 0.074 0.703
document_4687 716.4150 716.4150 None 0.074 0.867
document_2711 551.3550 551.3550 None 0.073 0.703
document_2276 507.4890 507.4890 None 0.073 0.857
document_348 413.2600 413.2600 None 0.072 0.703
document_4162 688.4700 688.4700 None 0.070 0.856
document_4171 689.9070 689.9070 None 0.070 0.707
document_4611 711.2710 711.2710 None 0.070 0.154
document_1439 455.3340 455.3340 None 0.070 0.233
document_217 409.1940 409.1940 None 0.069 0.702
document_1773 477.2610 477.2610 None 0.069 0.856
document_4734 716.4700 716.4700 None 0.069 0.857
document_4600 710.4110 710.4110 None 0.067 0.860
document_1310 443.3340 443.3340 None 0.064 0.161
document_4524 704.4150 704.4150 None 0.063 0.856
document_5203 744.4430 744.4430 None 0.062 0.860
document_4785 718.4720 718.4720 None 0.061 0.703
document_4216 690.4010 690.4010 None 0.060 0.233
document_4504 704.4870 704.4870 None 0.060 0.701
document_4213 690.4010 690.4010 None 0.060 0.706
document_5009 734.4040 734.4040 None 0.059 0.851
document_239 411.2710 411.2710 None 0.059 0.702
document_4180 689.0870 689.0870 None 0.058 0.857
document_4672 716.4150 716.4150 None 0.058 0.855
document_5182 744.4480 744.4480 None 0.057 0.712
document_5120 740.4100 740.4100 None 0.057 0.713
document_4717 716.4150 716.4150 None 0.056 0.703
document_3943 673.2710 673.2710 None 0.056 0.857
document_5130 740.4520 740.4520 None 0.056 0.707
document_2992 577.3030 577.3030 None 0.054 0.787
document_4778 718.4290 718.4290 None 0.054 0.083
document_2230 506.5330 506.5330 None 0.053 0.857
document_4823 718.5370 718.5370 None 0.052 0.782
document_3155 595.3390 595.3390 None 0.052 0.701
document_4621 712.4180 712.4180 None 0.052 0.861
document_3194 595.5430 595.5430 None 0.051 0.855
document_216 409.1840 409.1840 None 0.051 0.703
document_4793 718.5330 718.5330 None 0.051 0.695
document_5057 738.3950 738.3950 None 0.051 0.855

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.