Mass2Motif: motif_72

Return to experiment crusemann

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 0.9328710533204331. 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_229.1500 0.717
fragment_230.1500 0.043
fragment_70.0500 0.029
fragment_86.0500 0.026
fragment_143.1500 0.014
fragment_286.1500 0.009
fragment_132.1500 0.008
fragment_460.7500 0.005
fragment_342.1500 0.005
loss_161.2500 0.003
fragment_788.3500 0.003
fragment_570.2500 0.003
fragment_920.4500 0.003
fragment_120.0500 0.003
fragment_344.1500 0.002
loss_177.0500 0.002
fragment_923.4500 0.002
loss_131.0500 0.002
loss_78.1500 0.002
loss_90.5500 0.002
fragment_563.7500 0.002
loss_156.1500 0.002
fragment_833.4500 0.002
fragment_267.1500 0.002
fragment_340.1500 0.002
fragment_324.1500 0.002
fragment_360.1500 0.002
fragment_197.1500 0.002
fragment_441.2500 0.002
fragment_73.0500 0.002
fragment_927.3500 0.002
fragment_552.7500 0.001
loss_112.5500 0.001
fragment_444.6500 0.001
fragment_450.1500 0.001
loss_95.7500 0.001
loss_138.5500 0.001
fragment_147.0500 0.001
loss_39.0500 0.001
fragment_469.2500 0.001
fragment_359.6500 0.001
loss_29.0500 0.001
fragment_313.0500 0.001
loss_17.6500 0.001
fragment_542.7500 0.001
fragment_564.1500 0.001
loss_129.1500 0.001
fragment_160.0500 0.001
fragment_231.1500 0.001
fragment_494.1500 0.001
fragment_348.0500 0.001
fragment_129.1500 0.001
fragment_921.7500 0.001
loss_131.6500 0.001
fragment_370.1500 0.001

Counts of Classyfire Substituent terms

Term name Count in motif Percentage in motif Percentage in experiment Absolute difference
Hydrocarbon derivative 124 100 100 0
Organooxygen compound 124 100 95.3 4.7
Carbonyl group 107 86.3 44.0 42.3
Organonitrogen compound 106 85.5 54.1 31.4
Organic nitrogen compound 102 82.3 55.6 26.6
Organopnictogen compound 86 69.4 45.2 24.1
Azacycle 54 43.5 22.6 20.9
Carboxamide group 30 24.2 5.5 18.7
Organoheterocyclic compound 28 22.6 13.3 9.3
Alcohol 17 13.7 14.7 0.9
Oxacycle 9 7.3 7.9 0.7
Carboxylic acid ester 9 7.3 1.8 5.5
Benzenoid 8 6.5 18.3 11.9
Aromatic heteropolycyclic compound 8 6.5 9.6 3.2
Heteroaromatic compound 6 4.8 5.8 0.9
Secondary alcohol 5 4.0 7.7 3.7
Primary alcohol 2 1.6 0.9 0.8
Aliphatic acyclic compound 1 0.8 2.9 2.1
Acetal 1 0.8 1.5 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_3787 652.3340 652.3340 None 0.811 0.829
document_1776 477.2710 477.2710 None 0.646 0.790
document_1433 455.3240 455.3240 None 0.645 0.820
document_4056 679.3160 679.3160 None 0.633 0.841
document_1770 477.2680 477.2680 None 0.612 0.820
document_2078 498.3260 498.3260 None 0.583 0.829
document_3928 671.3600 671.3600 None 0.561 0.778
document_1437 456.2570 456.2570 None 0.539 0.817
document_2950 572.2930 572.2930 None 0.537 0.789
document_3066 585.3220 585.3220 None 0.533 0.824
document_1962 491.2500 491.2500 None 0.516 0.819
document_1745 476.2530 476.2530 None 0.486 0.794
document_2318 512.3970 512.3970 None 0.479 0.816
document_2487 530.2330 530.2330 None 0.464 0.791
document_3025 581.8140 581.8140 None 0.457 0.109
document_2425 523.2910 523.2910 None 0.452 0.834
document_2582 540.3410 540.3410 None 0.429 0.822
document_3130 592.8330 592.8330 None 0.427 0.816
document_3621 638.3170 638.3170 None 0.425 0.829
document_1775 477.2690 477.2690 None 0.413 0.793
document_2171 500.1000 500.1000 None 0.393 0.820
document_3900 667.4330 667.4330 None 0.355 0.821
document_1225 441.3060 441.3060 None 0.349 0.784
document_1168 440.9920 440.9920 None 0.331 0.816
document_2722 553.3000 553.3000 None 0.330 0.754
document_2365 516.3020 516.3020 None 0.322 0.790
document_2193 504.4820 504.4820 None 0.319 0.820
document_1164 439.2910 439.2910 None 0.317 0.808
document_2500 530.3020 530.3020 None 0.295 0.789
document_2320 514.2200 514.2200 None 0.292 0.833
document_735 429.5200 429.5200 None 0.284 0.815
document_3657 639.3720 639.3720 None 0.276 0.811
document_45 401.2410 401.2410 None 0.275 0.767
document_1935 489.8280 489.8280 None 0.274 0.771
document_37 401.2170 401.2170 None 0.265 0.817
document_3959 675.4050 675.4050 None 0.256 0.717
document_2662 547.3430 547.3430 None 0.251 0.771
document_2626 544.2700 544.2700 None 0.249 0.781
document_1429 455.9340 455.9340 None 0.245 0.772
document_1702 472.2780 472.2780 None 0.200 0.802
document_3912 668.3660 668.3660 None 0.197 0.799
document_2928 571.2290 571.2290 None 0.195 0.776
document_1689 471.2820 471.2820 None 0.194 0.773
document_2498 530.2430 530.2430 None 0.190 0.770
document_36 401.2070 401.2070 None 0.190 0.778
document_1681 471.1940 471.1940 None 0.189 0.768
document_3047 585.2700 585.2700 None 0.187 0.826
document_3058 585.2880 585.2880 None 0.181 0.791
document_196 408.1960 408.1960 None 0.179 0.779
document_2264 507.2970 507.2970 None 0.177 0.742
document_1505 459.4010 459.4010 None 0.177 0.772
document_4137 684.3550 684.3550 None 0.173 0.781
document_3060 585.2890 585.2890 None 0.172 0.791
document_1458 457.2650 457.2650 None 0.169 0.777
document_2924 569.3650 569.3650 None 0.165 0.777
document_768 429.3570 429.3570 None 0.161 0.760
document_2371 517.4900 517.4900 None 0.160 0.814
document_1687 471.2790 471.2790 None 0.160 0.771
document_1170 440.2500 440.2500 None 0.152 0.783
document_38 401.2230 401.2230 None 0.151 0.745
document_2265 507.2840 507.2840 None 0.150 0.757
document_418 417.2240 417.2240 None 0.146 0.799
document_1169 441.9840 441.9840 None 0.145 0.776
document_2901 567.2590 567.2590 None 0.144 0.776
document_4201 690.3070 690.3070 None 0.143 0.760
document_2756 556.2960 556.2960 None 0.142 0.771
document_1679 471.5900 471.5900 None 0.137 0.774
document_268 413.2060 413.2060 None 0.136 0.740
document_790 429.1950 429.1950 None 0.131 0.771
document_778 429.1790 429.1790 None 0.129 0.743
document_3247 602.5700 602.5700 None 0.125 0.817
document_1694 472.0820 472.0820 None 0.120 0.742
document_1983 495.0870 495.0870 None 0.116 0.775
document_836 429.9970 429.9970 None 0.113 0.773
document_197 408.7530 408.7530 None 0.111 0.771
document_3065 585.3230 585.3230 None 0.108 0.795
document_1820 481.3400 481.3400 None 0.106 0.745
document_91 402.4470 402.4470 None 0.105 0.742
document_3037 583.3440 583.3440 None 0.103 0.750
document_2043 497.3840 497.3840 None 0.101 0.797
document_330 413.2440 413.2440 None 0.101 0.772
document_3139 592.3330 592.3330 None 0.101 0.770
document_3492 629.3450 629.3450 None 0.100 0.716
document_1159 439.2780 439.2780 None 0.098 0.773
document_1436 456.8190 456.8190 None 0.097 0.794
document_734 428.1820 428.1820 None 0.096 0.784
document_4954 731.3110 731.3110 None 0.096 0.744
document_2220 505.2970 505.2970 None 0.094 0.814
document_2607 541.3010 541.3010 None 0.093 0.763
document_39 401.7740 401.7740 None 0.093 0.824
document_2476 528.2710 528.2710 None 0.093 0.782
document_2564 537.2990 537.2990 None 0.092 0.790
document_3837 660.3350 660.3350 None 0.090 0.811
document_745 428.0090 428.0090 None 0.089 0.771
document_3061 585.2900 585.2900 None 0.089 0.824
document_2542 534.2580 534.2580 None 0.085 0.744
document_33 401.2970 401.2970 None 0.084 0.782
document_706 425.2700 425.2700 None 0.084 0.773
document_907 430.9080 430.9080 None 0.083 0.760
document_824 429.2460 429.2460 None 0.082 0.717
document_261 413.2160 413.2160 None 0.079 0.766
document_264 413.2120 413.2120 None 0.079 0.766
document_2359 516.1410 516.1410 None 0.077 0.713
document_3591 636.3590 636.3590 None 0.077 0.777
document_777 429.1780 429.1780 None 0.075 0.717
document_275 413.2110 413.2110 None 0.074 0.738
document_1174 440.2740 440.2740 None 0.073 0.102
document_390 416.9680 416.9680 None 0.071 0.794
document_835 430.7840 430.7840 None 0.070 0.792
document_743 427.9210 427.9210 None 0.069 0.775
document_1893 487.0680 487.0680 None 0.068 0.790
document_4138 684.3520 684.3520 None 0.062 0.717
document_2424 523.2890 523.2890 None 0.061 0.771
document_1678 470.2260 470.2260 None 0.061 0.742
document_2349 514.2480 514.2480 None 0.060 0.783
document_2829 564.3070 564.3070 None 0.060 0.799
document_2189 502.3030 502.3030 None 0.059 0.787
document_2465 527.2960 527.2960 None 0.058 0.781
document_1905 489.3830 489.3830 None 0.057 0.772
document_3406 618.3000 618.3000 None 0.056 0.747
document_1555 463.2560 463.2560 None 0.055 0.785
document_3057 586.1890 586.1890 None 0.055 0.818
document_2833 564.3560 564.3560 None 0.053 0.043
document_865 430.2260 430.2260 None 0.050 0.741

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.