Mass2Motif: motif_156

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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 0.9689567296612972. 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_171.0500 0.600
loss_170.0500 0.104
fragment_143.1500 0.051
loss_169.0500 0.029
fragment_172.0500 0.020
loss_188.1500 0.017
fragment_357.1500 0.013
loss_44.1500 0.011
loss_100.1500 0.010
fragment_676.2500 0.009
fragment_457.2500 0.008
fragment_74.0500 0.006
fragment_184.1500 0.006
fragment_326.1500 0.005
fragment_373.2500 0.005
loss_143.0500 0.005
fragment_122.1500 0.005
fragment_230.1500 0.004
fragment_429.2500 0.004
fragment_677.2500 0.004
loss_75.5500 0.003
loss_107.1500 0.003
fragment_496.8500 0.003
fragment_346.1500 0.002
fragment_528.1500 0.002
loss_109.2500 0.002
fragment_474.2500 0.002
loss_156.1500 0.002
fragment_463.0500 0.002
fragment_281.9500 0.002
fragment_319.6500 0.002
loss_82.5500 0.002
loss_178.0500 0.002
fragment_516.0500 0.002
loss_84.0500 0.002
fragment_229.8500 0.002
loss_172.4500 0.002
loss_56.2500 0.002
fragment_105.5500 0.002
fragment_328.2500 0.002
fragment_340.2500 0.001
loss_55.2500 0.001
fragment_517.0500 0.001
fragment_358.1500 0.001
loss_117.8500 0.001
fragment_454.4500 0.001
loss_165.2500 0.001
fragment_306.9500 0.001
fragment_389.1500 0.001
loss_99.1500 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 114 98.3 95.3 2.9
Carbonyl group 70 60.3 44.0 16.3
Organonitrogen compound 70 60.3 54.1 6.2
Organic nitrogen compound 69 59.5 55.6 3.9
Organopnictogen compound 54 46.6 45.2 1.3
Azacycle 36 31.0 22.6 8.4
Benzenoid 19 16.4 18.3 2.0
Organoheterocyclic compound 18 15.5 13.3 2.2
Aromatic heteropolycyclic compound 15 12.9 9.6 3.3
Heteroaromatic compound 12 10.3 5.8 4.6
Alcohol 10 8.6 14.7 6.0
Carboxamide group 10 8.6 5.5 3.1
Oxacycle 5 4.3 7.9 3.6
Secondary alcohol 4 3.4 7.7 4.3
1-hydroxy-2-unsubstituted benzenoid 2 1.7 1.3 0.4
Carboxylic acid ester 1 0.9 1.8 0.9
Primary alcohol 1 0.9 0.9 0.0
Oxane 1 0.9 1.9 1.0
Polyol 1 0.9 1.6 0.7
Acetal 1 0.9 1.5 0.6
Glycosyl compound 1 0.9 0.7 0.1
Monosaccharide 1 0.9 0.1 0.8
Phenol 1 0.9 0.5 0.4
Amine 1 0.9 4.4 3.5

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_5925 1329.5070 1329.5070 None 0.935 0.014
document_3188 595.3820 595.3820 None 0.538 0.607
document_2951 572.3290 572.3290 None 0.526 0.129
document_864 430.2250 430.2250 None 0.514 0.784
document_1700 472.2750 472.2750 None 0.512 0.737
document_1902 488.2120 488.2120 None 0.498 0.804
document_1597 464.2480 464.2480 None 0.473 0.781
document_42 402.3110 402.3110 None 0.414 0.616
document_26 401.2820 401.2820 None 0.410 0.094
document_2504 531.2720 531.2720 None 0.399 0.755
document_1460 458.1670 458.1670 None 0.382 0.765
document_97 402.1960 402.1960 None 0.347 0.627
document_2494 529.3110 529.3110 None 0.331 0.602
document_4870 724.3780 724.3780 None 0.321 0.680
document_127 403.2460 403.2460 None 0.257 0.179
document_5019 735.3180 735.3180 None 0.236 0.610
document_1364 450.1960 450.1960 None 0.216 0.616
document_364 414.0620 414.0620 None 0.191 0.599
document_1358 449.2680 449.2680 None 0.188 0.600
document_331 413.2410 413.2410 None 0.187 0.600
document_1698 472.2640 472.2640 None 0.179 0.669
document_5292 758.3290 758.3290 None 0.174 0.156
document_865 430.2260 430.2260 None 0.172 0.600
document_3157 595.3390 595.3390 None 0.171 0.597
document_3161 595.3300 595.3300 None 0.170 0.597
document_1976 493.1510 493.1510 None 0.169 0.704
document_4648 713.4460 713.4460 None 0.163 0.605
document_3162 595.3560 595.3560 None 0.162 0.617
document_2260 507.2500 507.2500 None 0.159 0.104
document_1900 487.7120 487.7120 None 0.158 0.600
document_340 413.2540 413.2540 None 0.154 0.600
document_3159 595.3460 595.3460 None 0.153 0.600
document_3084 587.3040 587.3040 None 0.151 0.600
document_1155 439.1760 439.1760 None 0.145 0.104
document_3024 581.8110 581.8110 None 0.144 0.632
document_1313 445.8280 445.8280 None 0.141 0.655
document_1314 444.5970 444.5970 None 0.139 0.655
document_3184 595.3820 595.3820 None 0.136 0.600
document_1891 486.2920 486.2920 None 0.135 0.675
document_4661 715.7540 715.7540 None 0.134 0.597
document_2411 522.2140 522.2140 None 0.127 0.600
document_1842 483.2040 483.2040 None 0.123 0.124
document_5658 844.3250 844.3250 None 0.119 0.634
document_1982 493.2780 493.2780 None 0.117 0.595
document_2479 530.1900 530.1900 None 0.116 0.650
document_98 403.1120 403.1120 None 0.112 0.605
document_4104 683.3960 683.3960 None 0.110 0.620
document_274 413.2140 413.2140 None 0.110 0.599
document_5288 757.4710 757.4710 None 0.109 0.600
document_3058 585.2880 585.2880 None 0.109 0.642
document_4896 727.4010 727.4010 None 0.108 0.600
document_416 417.2030 417.2030 None 0.107 0.600
document_3651 639.3270 639.3270 None 0.107 0.600
document_3989 678.2930 678.2930 None 0.106 0.600
document_3153 595.3630 595.3630 None 0.104 0.600
document_3183 595.3810 595.3810 None 0.096 0.599
document_2736 554.3080 554.3080 None 0.095 0.650
document_3643 639.3550 639.3550 None 0.095 0.600
document_4349 695.3350 695.3350 None 0.093 0.600
document_2648 546.2930 546.2930 None 0.091 0.605
document_281 413.2150 413.2150 None 0.090 0.628
document_260 413.2040 413.2040 None 0.090 0.606
document_5022 735.3290 735.3290 None 0.088 0.613
document_2191 502.3140 502.3140 None 0.088 0.597
document_2412 522.2190 522.2190 None 0.088 0.600
document_3155 595.3390 595.3390 None 0.087 0.600
document_396 415.2580 415.2580 None 0.087 0.599
document_4895 727.3940 727.3940 None 0.087 0.600
document_283 413.2140 413.2140 None 0.085 0.600
document_1699 472.2760 472.2760 None 0.084 0.616
document_33 401.2970 401.2970 None 0.084 0.650
document_2491 529.3200 529.3200 None 0.084 0.664
document_2643 546.2630 546.2630 None 0.082 0.616
document_2038 499.3600 499.3600 None 0.082 0.669
document_3023 581.8140 581.8140 None 0.080 0.757
document_2567 537.3400 537.3400 None 0.078 0.599
document_3616 638.3140 638.3140 None 0.074 0.613
document_303 413.2150 413.2150 None 0.073 0.618
document_3661 639.4070 639.4070 None 0.073 0.600
document_2806 561.9840 561.9840 None 0.072 0.600
document_3711 644.2990 644.2990 None 0.072 0.149
document_1229 441.3510 441.3510 None 0.070 0.606
document_395 415.2570 415.2570 None 0.068 0.595
document_404 416.1650 416.1650 None 0.067 0.085
document_295 413.2150 413.2150 None 0.067 0.600
document_3021 581.3660 581.3660 None 0.066 0.604
document_1602 465.1980 465.1980 None 0.066 0.599
document_1157 439.1760 439.1760 None 0.065 0.109
document_5524 803.4590 803.4590 None 0.065 0.157
document_2631 545.2910 545.2910 None 0.065 0.627
document_4105 683.3810 683.3810 None 0.063 0.600
document_402 415.2880 415.2880 None 0.062 0.155
document_1696 472.2710 472.2710 None 0.062 0.596
document_304 413.2150 413.2150 None 0.062 0.600
document_3083 587.3020 587.3020 None 0.062 0.600
document_2943 571.2700 571.2700 None 0.060 0.605
document_1260 443.2240 443.2240 None 0.060 0.600
document_1581 463.3000 463.3000 None 0.060 0.600
document_1254 443.2210 443.2210 None 0.060 0.600
document_4087 682.3740 682.3740 None 0.060 0.663
document_832 429.2640 429.2640 None 0.059 0.606
document_1246 443.1720 443.1720 None 0.059 0.600
document_389 415.2590 415.2590 None 0.057 0.614
document_279 413.2180 413.2180 None 0.057 0.029
document_3630 639.3930 639.3930 None 0.056 0.600
document_3644 639.3850 639.3850 None 0.055 0.600
document_3588 636.2630 636.2630 None 0.055 0.613
document_35 401.2050 401.2050 None 0.054 0.121
document_500 419.2770 419.2770 None 0.054 0.600
document_1415 455.8720 455.8720 None 0.053 0.600
document_785 429.1790 429.1790 None 0.053 0.103
document_278 413.2110 413.2110 None 0.053 0.600
document_3956 674.8630 674.8630 None 0.052 0.651
document_489 419.2770 419.2770 None 0.052 0.600
document_3186 595.3810 595.3810 None 0.051 0.600
document_4123 683.4340 683.4340 None 0.050 0.610

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.