Mass2Motif: motif_30

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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 0.9903115985783317. 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_83.0500 0.664
fragment_135.0500 0.300
fragment_55.0500 0.015
fragment_325.8500 0.002
fragment_340.2500 0.002
fragment_57.0500 0.002
fragment_220.9500 0.002
fragment_97.4500 0.002
fragment_128.9500 0.001

Counts of Classyfire Substituent terms

Term name Count in motif Percentage in motif Percentage in experiment Absolute difference
Hydrocarbon derivative 212 100 100 0
Organooxygen compound 208 98.1 95.3 2.8
Carbonyl group 117 55.2 44.0 11.2
Organic nitrogen compound 74 34.9 55.6 20.7
Organonitrogen compound 60 28.3 54.1 25.8
Organopnictogen compound 41 19.3 45.2 25.9
Aliphatic acyclic compound 30 14.2 2.9 11.2
Alcohol 27 12.7 14.7 1.9
Secondary alcohol 9 4.2 7.7 3.5
Benzenoid 8 3.8 18.3 14.6
Oxacycle 8 3.8 7.9 4.1
Heteroaromatic compound 8 3.8 5.8 2.0
Aromatic heteropolycyclic compound 7 3.3 9.6 6.3
Organoheterocyclic compound 6 2.8 13.3 10.5
Azacycle 5 2.4 22.6 20.3
Carboxylic acid ester 2 0.9 1.8 0.9
Primary alcohol 1 0.5 0.9 0.4
Oxane 1 0.5 1.9 1.4
O-glycosyl compound 1 0.5 1.2 0.7
Polyol 1 0.5 1.6 1.1
Acetal 1 0.5 1.5 1.0
Glycosyl compound 1 0.5 0.7 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_3182 595.3810 595.3810 None 0.332 0.680
document_4532 704.5220 704.5220 None 0.323 0.663
document_1728 473.3440 473.3440 None 0.271 0.298
document_4837 720.5530 720.5530 None 0.261 0.664
document_4733 716.4340 716.4340 None 0.240 0.964
document_4764 718.4290 718.4290 None 0.229 0.978
document_1302 443.3310 443.3310 None 0.228 0.965
document_4505 704.4150 704.4150 None 0.223 0.981
document_2429 523.4710 523.4710 None 0.219 0.666
document_2681 551.3710 551.3710 None 0.213 0.666
document_2071 498.2660 498.2660 None 0.210 0.680
document_132 403.3420 403.3420 None 0.202 0.300
document_3007 579.5350 579.5350 None 0.199 0.665
document_5210 744.4800 744.4800 None 0.191 0.964
document_1304 443.3310 443.3310 None 0.190 0.666
document_2073 498.8660 498.8660 None 0.180 0.680
document_1307 443.3320 443.3320 None 0.171 0.666
document_4217 690.4010 690.4010 None 0.171 0.317
document_4208 690.4010 690.4010 None 0.169 0.964
document_3973 676.4120 676.4120 None 0.163 0.664
document_4523 704.4150 704.4150 None 0.160 0.980
document_5205 744.4430 744.4430 None 0.160 0.964
document_2431 524.1530 524.1530 None 0.159 0.664
document_3349 613.2480 613.2480 None 0.158 0.663
document_2430 523.4720 523.4720 None 0.157 0.300
document_4402 703.8040 703.8040 None 0.156 0.665
document_4243 690.4440 690.4440 None 0.154 0.980
document_2566 537.3400 537.3400 None 0.152 0.666
document_4714 716.4500 716.4500 None 0.152 0.979
document_5036 737.8310 737.8310 None 0.152 0.963
document_1231 441.3510 441.3510 None 0.152 0.663
document_2587 540.3570 540.3570 None 0.151 0.300
document_719 426.3190 426.3190 None 0.151 0.966
document_2713 551.5040 551.5040 None 0.151 0.666
document_2187 502.3360 502.3360 None 0.150 0.679
document_4849 722.4910 722.4910 None 0.149 0.680
document_4669 716.4140 716.4140 None 0.146 0.963
document_4911 727.4600 727.4600 None 0.146 0.664
document_4298 692.4160 692.4160 None 0.145 0.666
document_1911 487.3580 487.3580 None 0.145 0.664
document_1305 443.3320 443.3320 None 0.143 0.663
document_4184 689.6260 689.6260 None 0.142 0.679
document_4670 716.8370 716.8370 None 0.140 0.300
document_2074 498.2660 498.2660 None 0.137 0.681
document_4228 690.4010 690.4010 None 0.137 0.957
document_2568 537.4880 537.4880 None 0.134 0.666
document_250 412.2610 412.2610 None 0.133 0.664
document_4728 716.4160 716.4160 None 0.133 0.980
document_4219 690.4500 690.4500 None 0.131 0.979
document_4104 683.3960 683.3960 None 0.131 0.664
document_4666 716.4140 716.4140 None 0.130 0.960
document_485 419.2760 419.2760 None 0.130 0.663
document_249 412.4860 412.4860 None 0.129 0.664
document_4280 690.5070 690.5070 None 0.128 0.666
document_520 420.5740 420.5740 None 0.126 0.664
document_3183 595.3810 595.3810 None 0.125 0.664
document_4700 716.4670 716.4670 None 0.124 0.317
document_1906 487.3100 487.3100 None 0.123 0.664
document_4203 690.4560 690.4560 None 0.123 0.300
document_3301 609.3020 609.3020 None 0.121 0.300
document_1029 432.2400 432.2400 None 0.121 0.664
document_4278 690.5070 690.5070 None 0.120 0.679
document_1587 463.3020 463.3020 None 0.119 0.300
document_4648 713.4460 713.4460 None 0.119 0.664
document_5162 740.5190 740.5190 None 0.118 0.679
document_2248 506.5300 506.5300 None 0.118 0.679
document_4308 692.5180 692.5180 None 0.118 0.679
document_4689 716.4150 716.4150 None 0.117 0.964
document_4525 704.4150 704.4150 None 0.117 0.981
document_4528 704.4150 704.4150 None 0.116 0.665
document_4679 716.4150 716.4150 None 0.115 0.314
document_4255 690.4020 690.4020 None 0.115 0.979
document_1734 473.5190 473.5190 None 0.114 0.968
document_1592 463.3020 463.3020 None 0.114 0.659
document_3438 622.2170 622.2170 None 0.112 0.664
document_4782 718.4460 718.4460 None 0.110 0.666
document_4177 689.1730 689.1730 None 0.110 0.314
document_5079 738.3950 738.3950 None 0.109 0.666
document_718 426.3190 426.3190 MLS000830274-01!Ethmozine 0.109 0.664
document_5584 819.5000 819.5000 None 0.107 0.676
document_4242 690.4290 690.4290 None 0.106 0.981
document_4680 716.4150 716.4150 None 0.106 0.980
document_1303 443.3310 443.3310 None 0.105 0.300
document_5382 770.8470 770.8470 None 0.104 0.300
document_4967 732.4060 732.4060 None 0.104 0.665
document_160 405.2790 405.2790 None 0.104 0.966
document_4214 690.4010 690.4010 None 0.104 0.965
document_4187 690.0880 690.0880 None 0.103 0.978
document_4770 718.4290 718.4290 None 0.103 0.302
document_4240 690.4010 690.4010 None 0.102 0.680
document_4092 685.8220 685.8220 None 0.099 0.963
document_345 413.2570 413.2570 None 0.099 0.300
document_5201 744.4430 744.4430 None 0.099 0.966
document_5204 744.4430 744.4430 None 0.098 0.975
document_1797 480.2210 480.2210 None 0.098 0.979
document_4715 716.4610 716.4610 None 0.097 0.979
document_4218 690.4010 690.4010 None 0.096 0.680
document_690 425.4380 425.4380 None 0.095 0.678
document_5588 819.5000 819.5000 None 0.094 0.663
document_4002 678.4780 678.4780 None 0.094 0.302
document_4066 680.2680 680.2680 None 0.094 0.300
document_2567 537.3400 537.3400 None 0.094 0.664
document_4222 690.4020 690.4020 None 0.092 0.666
document_4236 690.4010 690.4010 None 0.091 0.661
document_4694 716.4510 716.4510 None 0.091 0.679
document_4991 734.3870 734.3870 None 0.089 0.959
document_4170 690.0860 690.0860 None 0.087 0.666
document_4173 689.9500 689.9500 None 0.087 0.979
document_4786 718.4770 718.4770 None 0.087 0.977
document_1153 437.3730 437.3730 None 0.086 0.300
document_162 405.2930 405.2930 None 0.086 0.300
document_5034 738.2150 738.2150 None 0.085 0.981
document_4686 716.4150 716.4150 None 0.085 0.978
document_4326 692.5210 692.5210 None 0.084 0.666
document_4850 722.4910 722.4910 None 0.084 0.315
document_3771 651.1810 651.1810 None 0.082 0.664
document_5196 744.4430 744.4430 None 0.082 0.316
document_4717 716.4150 716.4150 None 0.082 0.963
document_4776 718.4760 718.4760 None 0.082 0.679
document_2574 537.4880 537.4880 None 0.081 0.663
document_4392 702.4100 702.4100 None 0.080 0.972
document_4671 716.4150 716.4150 None 0.079 0.666
document_5075 738.3950 738.3950 None 0.079 0.315
document_4507 704.4150 704.4150 None 0.079 0.316
document_4667 716.4150 716.4150 None 0.079 0.665
document_4707 716.4150 716.4150 None 0.078 0.974
document_3457 625.3930 625.3930 None 0.078 0.679
document_4675 716.4260 716.4260 None 0.078 0.979
document_4718 716.4150 716.4150 None 0.078 0.664
document_2276 507.4890 507.4890 None 0.077 0.666
document_2186 502.2110 502.2110 None 0.077 0.680
document_2240 506.5860 506.5860 None 0.077 0.664
document_5186 744.4430 744.4430 None 0.077 0.679
document_4299 692.4740 692.4740 None 0.077 0.666
document_4249 690.4640 690.4640 None 0.076 0.965
document_4780 718.4290 718.4290 None 0.076 0.666
document_5197 744.4430 744.4430 None 0.075 0.976
document_4927 730.4530 730.4530 None 0.075 0.978
document_4768 718.4290 718.4290 None 0.075 0.666
document_502 420.3750 420.3750 None 0.074 0.664
document_4518 704.4150 704.4150 None 0.073 0.666
document_70 401.5570 401.5570 None 0.073 0.964
document_4681 716.4470 716.4470 None 0.073 0.980
document_5187 744.4520 744.4520 None 0.073 0.682
document_781 429.1790 429.1790 None 0.073 0.664
document_1291 443.7490 443.7490 None 0.072 0.665
document_4673 716.4480 716.4480 None 0.072 0.678
document_1639 467.3860 467.3860 None 0.072 0.317
document_5183 744.4440 744.4440 None 0.072 0.980
document_5129 740.4900 740.4900 None 0.072 0.664
document_2665 548.3240 548.3240 None 0.071 0.300
document_3021 581.3660 581.3660 None 0.071 0.664
document_5185 744.4430 744.4430 None 0.069 0.981
document_5582 819.5000 819.5000 None 0.069 0.676
document_4178 690.3150 690.3150 None 0.069 0.964
document_5050 738.4060 738.4060 None 0.068 0.981
document_4763 718.4290 718.4290 None 0.068 0.680
document_105 402.8220 402.8220 None 0.068 0.302
document_5130 740.4520 740.4520 None 0.068 0.668
document_362 415.3450 415.3450 None 0.067 0.664
document_3546 634.4520 634.4520 None 0.067 0.300
document_4320 692.5180 692.5180 None 0.066 0.666
document_4589 711.5790 711.5790 None 0.065 0.979
document_5211 744.4860 744.4860 None 0.065 0.678
document_2697 551.3430 551.3430 None 0.065 0.664
document_3363 613.3860 613.3860 None 0.065 0.664
document_5084 738.4580 738.4580 None 0.064 0.300
document_5193 744.4430 744.4430 None 0.064 0.666
document_5199 744.4430 744.4430 None 0.064 0.660
document_5180 744.4430 744.4430 None 0.064 0.660
document_1232 443.7620 443.7620 None 0.064 0.679
document_4519 704.4150 704.4150 None 0.063 0.316
document_5209 744.4430 744.4430 None 0.063 0.678
document_4687 716.4150 716.4150 None 0.063 0.975
document_488 419.2760 419.2760 None 0.063 0.664
document_1297 443.3310 443.3310 None 0.062 0.664
document_4397 702.4680 702.4680 None 0.062 0.659
document_2687 550.4660 550.4660 None 0.062 0.662
document_4239 690.4010 690.4010 None 0.061 0.978
document_4516 704.4150 704.4150 None 0.061 0.664
document_5212 744.4690 744.4690 None 0.061 0.978
document_1234 442.5240 442.5240 None 0.061 0.666
document_4277 692.3710 692.3710 None 0.061 0.663
document_705 425.2280 425.2280 None 0.060 0.664
document_5182 744.4480 744.4480 None 0.060 0.678
document_5033 738.3000 738.3000 None 0.060 0.976
document_2797 561.2540 561.2540 None 0.060 0.677
document_2549 535.2790 535.2790 None 0.060 0.300
document_1032 432.2770 432.2770 None 0.059 0.300
document_5135 740.4600 740.4600 None 0.059 0.677
document_4719 716.4150 716.4150 None 0.059 0.966
document_4706 716.4150 716.4150 None 0.058 0.659
document_1573 463.2790 463.2790 None 0.058 0.300
document_609 421.2320 421.2320 None 0.058 0.664
document_169 406.3540 406.3540 None 0.057 0.298
document_3966 675.6720 675.6720 None 0.057 0.302
document_4692 716.4150 716.4150 None 0.056 0.300
document_3794 653.8080 653.8080 None 0.056 0.666
document_5125 740.4430 740.4430 None 0.056 0.315
document_4896 727.4010 727.4010 None 0.054 0.658
document_4364 697.4800 697.4800 None 0.054 0.663
document_5191 744.4950 744.4950 None 0.054 0.300
document_1233 443.8150 443.8150 None 0.054 0.666
document_4188 689.8790 689.8790 None 0.053 0.317
document_976 430.9140 430.9140 None 0.052 0.664
document_5077 738.4280 738.4280 None 0.052 0.300
document_4678 716.4250 716.4250 None 0.052 0.978
document_3878 664.4630 664.4630 None 0.052 0.300
document_5281 757.2830 757.2830 None 0.052 0.662
document_4834 720.5170 720.5170 None 0.052 0.664
document_2515 531.4070 531.4070 None 0.051 0.666
document_102 402.2810 402.2810 None 0.051 0.662

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.