Mass2Motif: motif_269

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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 0.9438069960684796. 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_87.0500 0.761
fragment_720.4500 0.013
loss_22.0500 0.012
fragment_953.4500 0.012
fragment_103.0500 0.010
fragment_418.0500 0.007
fragment_668.3500 0.006
fragment_954.5500 0.006
fragment_921.4500 0.005
fragment_179.9500 0.004
fragment_922.4500 0.004
loss_21.3500 0.004
fragment_373.2500 0.004
fragment_721.1500 0.004
fragment_349.1500 0.003
fragment_100.9500 0.003
fragment_262.1500 0.003
fragment_87.4500 0.003
fragment_897.5500 0.003
fragment_94.0500 0.002
fragment_447.2500 0.002
fragment_920.8500 0.002
fragment_162.9500 0.002
fragment_219.7500 0.002
fragment_145.0500 0.002
fragment_800.4500 0.002
fragment_812.4500 0.002
fragment_467.9500 0.002
fragment_579.3500 0.002
fragment_976.0500 0.002
loss_93.5500 0.002
fragment_73.0500 0.002
fragment_248.1500 0.002
fragment_546.6500 0.002
loss_195.8500 0.002
fragment_266.1500 0.002
fragment_499.2500 0.002
loss_75.8500 0.002
fragment_102.0500 0.002
fragment_465.2500 0.002
fragment_666.6500 0.002
fragment_396.2500 0.001
fragment_648.8500 0.001
fragment_488.2500 0.001
fragment_813.8500 0.001
fragment_851.0500 0.001
fragment_374.2500 0.001
fragment_506.7500 0.001
fragment_365.2500 0.001
fragment_655.8500 0.001
fragment_995.6500 0.001
fragment_844.4500 0.001
fragment_278.8500 0.001
fragment_388.7500 0.001
fragment_663.1500 0.001
loss_79.3500 0.001
loss_86.5500 0.001
loss_19.5500 0.001
fragment_232.1500 0.001
fragment_333.1500 0.001
fragment_554.3500 0.001
fragment_409.2500 0.001
fragment_698.9500 0.001
fragment_906.0500 0.001
fragment_985.2500 0.001
fragment_834.5500 0.001
fragment_899.0500 0.001
loss_188.1500 0.001
fragment_378.2500 0.001
fragment_177.8500 0.001
fragment_645.5500 0.001
loss_96.8500 0.001

Counts of Classyfire Substituent terms

Term name Count in motif Percentage in motif Percentage in experiment Absolute difference
Hydrocarbon derivative 116 100 100 0
Organooxygen compound 110 94.8 95.3 0.5
Carbonyl group 63 54.3 44.0 10.3
Alcohol 43 37.1 14.7 22.4
Secondary alcohol 30 25.9 7.7 18.2
Organonitrogen compound 29 25 54.1 29.1
Organic nitrogen compound 27 23.3 55.6 32.4
Oxacycle 22 19.0 7.9 11.1
Benzenoid 21 18.1 18.3 0.2
Organopnictogen compound 19 16.4 45.2 28.9
Organoheterocyclic compound 16 13.8 13.3 0.5
1-hydroxy-2-unsubstituted benzenoid 8 6.9 1.3 5.6
Aromatic heteropolycyclic compound 7 6.0 9.6 3.6
Aliphatic acyclic compound 6 5.2 2.9 2.2
Polyol 5 4.3 1.6 2.7
Carboxylic acid ester 4 3.4 1.8 1.6
Oxane 4 3.4 1.9 1.5
Amine 3 2.6 4.4 1.8
O-glycosyl compound 3 2.6 1.2 1.4
Phenol 2 1.7 0.5 1.3
Azacycle 2 1.7 22.6 20.9
Primary alcohol 1 0.9 0.9 0.0
Acetal 1 0.9 1.5 0.6
Heteroaromatic compound 1 0.9 5.8 4.9

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_5170 742.4690 742.4690 None 0.751 0.108
document_5847 983.5060 983.5060 None 0.497 0.027
document_4754 718.4620 718.4620 None 0.386 0.769
document_1907 487.8990 487.8990 None 0.377 0.769
document_1028 432.2460 432.2460 None 0.373 0.769
document_3788 652.5800 652.5800 None 0.324 0.029
document_5137 742.2350 742.2350 None 0.282 0.759
document_2033 497.1690 497.1690 None 0.229 0.763
document_4833 720.5870 720.5870 None 0.208 0.764
document_2041 497.2180 497.2180 None 0.190 0.773
document_2215 505.6530 505.6530 None 0.182 0.763
document_948 430.9120 430.9120 None 0.160 0.757
document_1865 485.2890 485.2890 None 0.160 0.761
document_1801 481.1880 481.1880 None 0.146 0.771
document_3125 590.9690 590.9690 None 0.145 0.756
document_1909 487.3130 487.3130 None 0.144 0.761
document_2042 497.2180 497.2180 None 0.141 0.762
document_3294 608.3890 608.3890 None 0.134 0.760
document_2986 576.4060 576.4060 None 0.133 0.758
document_3328 614.2010 614.2010 None 0.126 0.765
document_820 429.2460 429.2460 None 0.120 0.760
document_3743 649.8430 649.8430 None 0.120 0.775
document_5497 796.5410 796.5410 None 0.117 0.761
document_1030 432.2380 432.2380 None 0.116 0.759
document_3808 658.9970 658.9970 None 0.115 0.764
document_1035 432.2780 432.2780 None 0.113 0.760
document_5254 753.0550 753.0550 None 0.113 0.763
document_77 401.2830 401.2830 None 0.110 0.761
document_1507 459.7230 459.7230 None 0.106 0.759
document_3109 592.1030 592.1030 None 0.106 0.763
document_2654 546.3990 546.3990 None 0.105 0.761
document_4873 726.3820 726.3820 None 0.104 0.764
document_3874 668.3900 668.3900 None 0.102 0.765
document_5293 758.6970 758.6970 None 0.101 0.765
document_4332 694.2360 694.2360 None 0.101 0.766
document_3449 627.4910 627.4910 None 0.100 0.766
document_4002 678.4780 678.4780 None 0.099 0.760
document_273 413.2210 413.2210 None 0.099 0.761
document_3395 617.5890 617.5890 None 0.098 0.763
document_5433 778.4880 778.4880 None 0.096 0.774
document_2527 533.1510 533.1510 None 0.096 0.761
document_5335 766.4220 766.4220 None 0.096 0.761
document_1922 488.2680 488.2680 None 0.096 0.763
document_4612 713.6350 713.6350 None 0.095 0.762
document_5429 777.5970 777.5970 None 0.093 0.771
document_4841 721.8480 721.8480 None 0.093 0.754
document_398 415.2820 415.2820 None 0.092 0.756
document_4167 690.3100 690.3100 None 0.090 0.763
document_2113 498.8990 498.8990 None 0.090 0.763
document_3603 638.5970 638.5970 None 0.090 0.755
document_5675 854.5800 854.5800 None 0.089 0.773
document_2760 556.3520 556.3520 None 0.089 0.761
document_3012 582.6040 582.6040 None 0.088 0.765
document_3072 586.6520 586.6520 None 0.087 0.763
document_4335 695.9960 695.9960 None 0.085 0.764
document_3699 645.7760 645.7760 None 0.085 0.762
document_4375 701.1200 701.1200 None 0.084 0.758
document_1800 481.2020 481.2020 None 0.084 0.764
document_3541 636.4970 636.4970 None 0.083 0.764
document_4160 689.7310 689.7310 None 0.081 0.763
document_4922 729.0710 729.0710 None 0.081 0.767
document_3108 590.3970 590.3970 None 0.081 0.763
document_3323 612.4660 612.4660 None 0.080 0.758
document_1438 455.3320 455.3320 None 0.078 0.761
document_3225 601.1660 601.1660 None 0.077 0.765
document_3877 665.7930 665.7930 None 0.077 0.761
document_927 430.9100 430.9100 None 0.077 0.761
document_3425 621.0610 621.0610 None 0.077 0.761
document_1767 476.3050 476.3050 None 0.076 0.761
document_702 425.9320 425.9320 None 0.076 0.757
document_5496 796.9550 796.9550 None 0.075 0.754
document_4846 722.5000 722.5000 None 0.075 0.775
document_788 429.1790 429.1790 None 0.075 0.761
document_3684 641.0350 641.0350 None 0.075 0.764
document_3416 621.7690 621.7690 None 0.074 0.764
document_5322 763.4260 763.4260 None 0.074 0.766
document_3994 678.4780 678.4780 None 0.073 0.758
document_3917 669.4160 669.4160 None 0.073 0.761
document_5360 768.4830 768.4830 None 0.073 0.766
document_2032 497.2090 497.2090 None 0.072 0.766
document_4090 682.4310 682.4310 None 0.071 0.763
document_3999 679.9420 679.9420 None 0.071 0.754
document_3174 597.0790 597.0790 None 0.071 0.763
document_3292 610.3550 610.3550 None 0.071 0.763
document_5442 782.0110 782.0110 None 0.070 0.764
document_1384 451.2160 451.2160 None 0.069 0.761
document_5241 748.4730 748.4730 None 0.068 0.764
document_4958 732.2810 732.2810 None 0.068 0.763
document_3937 674.3370 674.3370 None 0.067 0.768
document_2351 514.2950 514.2950 None 0.067 0.761
document_3593 636.4160 636.4160 None 0.065 0.760
document_754 428.4450 428.4450 None 0.065 0.761
document_4857 722.5040 722.5040 None 0.063 0.760
document_3281 608.2550 608.2550 None 0.062 0.763
document_2359 516.1410 516.1410 None 0.062 0.771
document_3228 601.9920 601.9920 None 0.061 0.765
document_5513 802.3400 802.3400 None 0.061 0.763
document_265 413.2010 413.2010 None 0.059 0.761
document_5539 810.5530 810.5530 None 0.059 0.774
document_3264 604.9160 604.9160 None 0.059 0.777
document_3165 595.3520 595.3520 None 0.058 0.761
document_2942 571.2670 571.2670 None 0.058 0.757
document_3991 678.4770 678.4770 None 0.058 0.761
document_5414 772.5440 772.5440 None 0.058 0.764
document_3623 638.6980 638.6980 None 0.057 0.761
document_32 401.2550 401.2550 None 0.057 0.760
document_3278 607.6040 607.6040 None 0.056 0.763
document_3408 618.3760 618.3760 None 0.056 0.764
document_1882 485.3780 485.3780 None 0.055 0.761
document_723 427.0730 427.0730 None 0.055 0.761
document_5478 792.4950 792.4950 None 0.054 0.761
document_5342 766.5300 766.5300 None 0.052 0.758
document_4362 697.3660 697.3660 None 0.051 0.763
document_5096 738.4710 738.4710 None 0.051 0.763
document_5724 884.5920 884.5920 None 0.050 0.761
document_1523 460.3100 460.3100 None 0.050 0.755

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.