Mass2Motif: motif_43

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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 0.8894974406975762. 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_263.1500 0.422
fragment_187.0500 0.056
fragment_264.1500 0.042
fragment_305.1500 0.038
fragment_274.1500 0.035
fragment_70.0500 0.019
fragment_306.1500 0.019
fragment_256.0500 0.018
loss_185.3500 0.016
fragment_558.2500 0.010
fragment_105.0500 0.010
loss_92.8500 0.010
loss_110.9500 0.009
fragment_188.8500 0.008
fragment_247.1500 0.008
fragment_86.0500 0.008
loss_195.0500 0.008
fragment_288.1500 0.008
fragment_313.0500 0.007
fragment_120.0500 0.007
fragment_310.1500 0.007
loss_100.2500 0.007
loss_92.3500 0.006
fragment_558.7500 0.006
fragment_946.6500 0.005
fragment_157.1500 0.005
fragment_261.1500 0.004
loss_151.1500 0.003
fragment_102.8500 0.003
fragment_207.5500 0.003
loss_156.1500 0.003
fragment_265.1500 0.003
fragment_341.1500 0.003
fragment_72.0500 0.003
fragment_302.2500 0.003
fragment_994.9500 0.003
loss_131.0500 0.002
fragment_219.9500 0.002
fragment_500.2500 0.002
fragment_74.0500 0.002
fragment_427.9500 0.002
loss_127.4500 0.002
loss_91.8500 0.002
fragment_946.9500 0.002
fragment_814.4500 0.002
loss_39.3500 0.002
fragment_232.1500 0.002
loss_177.8500 0.002
fragment_270.1500 0.002
fragment_330.1500 0.002
fragment_169.0500 0.002
fragment_742.6500 0.002
fragment_185.0500 0.002
loss_114.2500 0.001
loss_160.1500 0.001
fragment_318.4500 0.001
fragment_914.4500 0.001
loss_142.7500 0.001
fragment_924.9500 0.001
fragment_620.2500 0.001
loss_161.0500 0.001
fragment_971.1500 0.001
loss_176.4500 0.001
fragment_144.0500 0.001
fragment_648.3500 0.001
loss_149.3500 0.001
fragment_720.8500 0.001
loss_132.9500 0.001
loss_96.1500 0.001
fragment_773.1500 0.001
loss_80.6500 0.001
fragment_875.6500 0.001
fragment_880.0500 0.001
fragment_884.7500 0.001
fragment_725.3500 0.001
fragment_821.3500 0.001
loss_32.3500 0.001
fragment_834.4500 0.001
fragment_578.2500 0.001
fragment_217.0500 0.001

Counts of Classyfire Substituent terms

Term name Count in motif Percentage in motif Percentage in experiment Absolute difference
Hydrocarbon derivative 72 100 100 0
Organooxygen compound 72 100 95.3 4.7
Organic nitrogen compound 63 87.5 55.6 31.9
Organonitrogen compound 60 83.3 54.1 29.2
Organopnictogen compound 54 75 45.2 29.8
Carbonyl group 50 69.4 44.0 25.4
Azacycle 32 44.4 22.6 21.8
Amine 12 16.7 4.4 12.3
Organoheterocyclic compound 10 13.9 13.3 0.6
Carboxamide group 10 13.9 5.5 8.4
Carboxylic acid ester 6 8.3 1.8 6.5
Benzenoid 5 6.9 18.3 11.4
Alcohol 4 5.6 14.7 9.1
Secondary alcohol 3 4.2 7.7 3.5
Heteroaromatic compound 3 4.2 5.8 1.6
Oxacycle 2 2.8 7.9 5.1
Primary alcohol 2 2.8 0.9 1.9
Aliphatic acyclic compound 2 2.8 2.9 0.2
Aromatic heteropolycyclic compound 2 2.8 9.6 6.9
Polyol 1 1.4 1.6 0.2
Acetal 1 1.4 1.5 0.1

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_5563 818.8570 818.8570 None 0.850 0.510
document_3592 636.3750 636.3750 None 0.843 0.514
document_3766 651.1130 651.1130 None 0.812 0.118
document_5441 781.3560 781.3560 None 0.748 0.502
document_2977 576.3510 576.3510 None 0.689 0.511
document_1933 489.3060 489.3060 None 0.664 0.491
document_1341 448.4830 448.4830 None 0.652 0.510
document_321 413.2390 413.2390 None 0.639 0.059
document_1934 489.3060 489.3060 CYTIDINE 5'-DIPHOSPHOCHOLINE 0.615 0.493
document_3414 620.2090 620.2090 None 0.585 0.497
document_5673 853.7700 853.7700 None 0.575 0.109
document_1969 493.0250 493.0250 None 0.568 0.496
document_2979 576.3130 576.3130 None 0.565 0.489
document_2752 555.3490 555.3490 None 0.469 0.467
document_1971 492.2470 492.2470 None 0.460 0.529
document_1738 475.2690 475.2690 None 0.426 0.512
document_1935 489.8280 489.8280 None 0.409 0.491
document_2772 557.3280 557.3280 None 0.399 0.116
document_1908 489.7050 489.7050 None 0.360 0.505
document_1330 447.5680 447.5680 None 0.349 0.564
document_2424 523.2890 523.2890 None 0.344 0.495
document_1932 489.2580 489.2580 None 0.330 0.456
document_3260 603.4970 603.4970 None 0.320 0.499
document_2382 518.2820 518.2820 None 0.311 0.092
document_351 414.1660 414.1660 None 0.303 0.073
document_1339 448.2320 448.2320 None 0.295 0.507
document_693 425.1940 425.1940 None 0.289 0.517
document_397 416.5030 416.5030 None 0.287 0.077
document_2425 523.2910 523.2910 None 0.264 0.500
document_410 416.5220 416.5220 None 0.261 0.118
document_694 425.1930 425.1930 None 0.243 0.538
document_1905 489.3830 489.3830 None 0.234 0.505
document_1356 449.2380 449.2380 None 0.233 0.488
document_1353 449.2500 449.2500 None 0.219 0.561
document_3091 588.3020 588.3020 None 0.211 0.492
document_3480 628.2990 628.2990 None 0.204 0.538
document_3090 588.3090 588.3090 None 0.195 0.491
document_2205 504.2680 504.2680 None 0.193 0.087
document_1016 431.2500 431.2500 None 0.183 0.530
document_2766 557.6970 557.6970 None 0.181 0.461
document_3621 638.3170 638.3170 None 0.172 0.500
document_1239 442.1810 442.1810 None 0.170 0.474
document_695 425.1940 425.1940 None 0.154 0.509
document_4354 695.4790 695.4790 None 0.147 0.430
document_1948 490.2380 490.2380 None 0.142 0.508
document_1745 476.2530 476.2530 None 0.131 0.444
document_2980 576.3310 576.3310 None 0.126 0.459
document_1342 447.2580 447.2580 None 0.118 0.437
document_2502 530.3340 530.3340 None 0.112 0.064
document_3439 622.3110 622.3110 None 0.106 0.444
document_2264 507.2970 507.2970 None 0.105 0.430
document_398 415.2820 415.2820 None 0.102 0.425
document_5365 769.4230 769.4230 None 0.097 0.422
document_1556 463.2540 463.2540 None 0.096 0.513
document_2219 505.2680 505.2680 None 0.085 0.459
document_423 417.2750 417.2750 None 0.083 0.465
document_2196 503.2710 503.2710 None 0.083 0.462
document_2841 565.3720 565.3720 None 0.082 0.487
document_3159 595.3460 595.3460 None 0.080 0.068
document_3247 602.5700 602.5700 None 0.076 0.452
document_3002 577.7780 577.7780 None 0.076 0.449
document_2354 515.2500 515.2500 None 0.073 0.440
document_2273 507.3300 507.3300 None 0.072 0.037
document_1067 433.2920 433.2920 None 0.067 0.425
document_1132 437.2300 437.2300 None 0.067 0.040
document_210 408.7440 408.7440 None 0.059 0.069
document_1131 437.2300 437.2300 None 0.057 0.077
document_3358 613.2720 613.2720 None 0.054 0.045
document_4847 722.4570 722.4570 None 0.053 0.056
document_835 430.7840 430.7840 None 0.052 0.099
document_3062 585.2930 585.2930 None 0.052 0.056
document_373 413.3020 413.3020 None 0.051 0.056

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.