Mass2Motif: motif_242

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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 0.9098786521328787. 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_245.1500 0.357
fragment_86.0500 0.139
fragment_159.0500 0.135
fragment_246.1500 0.107
fragment_132.1500 0.041
fragment_70.0500 0.028
fragment_392.1500 0.007
fragment_143.1500 0.006
loss_137.6500 0.006
fragment_333.6500 0.006
loss_154.5500 0.006
fragment_681.4500 0.005
fragment_199.1500 0.005
fragment_456.1500 0.005
fragment_286.1500 0.003
loss_184.3500 0.003
fragment_709.4500 0.003
fragment_72.7500 0.002
fragment_246.4500 0.002
loss_161.7500 0.002
fragment_185.1500 0.002
fragment_526.6500 0.002
fragment_55.0500 0.002
fragment_307.0500 0.002
loss_93.6500 0.002
fragment_966.0500 0.002
fragment_682.4500 0.002
fragment_457.1500 0.002
loss_37.8500 0.002
fragment_87.0500 0.002
loss_21.8500 0.002
fragment_835.6500 0.002
fragment_710.4500 0.001
fragment_585.8500 0.001
loss_164.0500 0.001
fragment_213.0500 0.001
fragment_141.9500 0.001
fragment_71.4500 0.001
fragment_72.0500 0.001
loss_177.1500 0.001
fragment_372.1500 0.001
fragment_330.1500 0.001
fragment_458.1500 0.001
fragment_258.0500 0.001
loss_96.4500 0.001
fragment_247.1500 0.001
fragment_349.1500 0.001
loss_29.0500 0.001

Counts of Classyfire Substituent terms

Term name Count in motif Percentage in motif Percentage in experiment Absolute difference
Hydrocarbon derivative 108 100 100 0
Organooxygen compound 107 99.1 95.3 3.7
Organic nitrogen compound 95 88.0 55.6 32.3
Organonitrogen compound 95 88.0 54.1 33.8
Carbonyl group 93 86.1 44.0 42.1
Organopnictogen compound 84 77.8 45.2 32.5
Azacycle 56 51.9 22.6 29.2
Organoheterocyclic compound 16 14.8 13.3 1.5
Carboxamide group 16 14.8 5.5 9.3
Amine 13 12.0 4.4 7.7
Alcohol 9 8.3 14.7 6.3
Carboxylic acid ester 8 7.4 1.8 5.6
Heteroaromatic compound 3 2.8 5.8 3.0
Benzenoid 3 2.8 18.3 15.6
Aliphatic acyclic compound 2 1.9 2.9 1.1
Oxacycle 2 1.9 7.9 6.1
Aromatic heteropolycyclic compound 2 1.9 9.6 7.8
Secondary alcohol 2 1.9 7.7 5.9
Primary amine 1 0.9 0.5 0.5

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_1892 487.0390 487.0390 None 0.739 0.635
document_1899 487.2400 487.2400 None 0.722 0.569
document_1428 455.2600 455.2600 None 0.692 0.494
document_1774 477.2620 477.2620 None 0.677 0.650
document_1928 489.2570 489.2570 None 0.654 0.643
document_1690 471.2800 471.2800 None 0.638 0.229
document_1898 487.2380 487.2380 None 0.635 0.534
document_1901 487.2410 487.2410 None 0.578 0.641
document_1540 462.5790 462.5790 None 0.567 0.535
document_1436 456.8190 456.8190 None 0.544 0.642
document_3526 633.3220 633.3220 None 0.535 0.646
document_3411 619.2830 619.2830 None 0.519 0.164
document_2626 544.2700 544.2700 None 0.514 0.636
document_23 400.7160 400.7160 None 0.485 0.296
document_5680 857.4840 857.4840 None 0.482 0.315
document_1364 450.1960 450.1960 None 0.446 0.249
document_2329 512.7820 512.7820 None 0.385 0.648
document_5744 901.0460 901.0460 None 0.362 0.304
document_190 408.1590 408.1590 None 0.342 0.609
document_3837 660.3350 660.3350 None 0.335 0.302
document_839 429.4960 429.4960 None 0.323 0.535
document_1482 458.2060 458.2060 None 0.307 0.635
document_1852 485.1490 485.1490 None 0.269 0.568
document_4379 700.3670 700.3670 None 0.268 0.770
document_2195 503.2720 503.2720 None 0.262 0.684
document_1481 457.5250 457.5250 None 0.251 0.606
document_1518 460.2190 460.2190 None 0.240 0.306
document_1324 445.3030 445.3030 None 0.220 0.528
document_1694 472.0820 472.0820 None 0.211 0.252
document_1430 457.2260 457.2260 None 0.211 0.533
document_3843 661.3160 661.3160 None 0.191 0.360
document_1456 457.4610 457.4610 None 0.181 0.676
document_835 430.7840 430.7840 None 0.181 0.709
document_1676 471.4490 471.4490 None 0.178 0.528
document_1851 484.2420 484.2420 None 0.176 0.529
document_1929 489.2560 489.2560 None 0.171 0.568
document_838 429.2990 429.2990 None 0.169 0.582
document_129 403.2540 403.2540 None 0.159 0.350
document_2374 517.5240 517.5240 None 0.158 0.243
document_2005 495.2840 495.2840 None 0.156 0.536
document_3249 602.3900 602.3900 None 0.155 0.521
document_1494 458.2980 458.2980 None 0.153 0.464
document_1216 441.3030 441.3030 None 0.145 0.365
document_2924 569.3650 569.3650 None 0.141 0.277
document_2930 570.9650 570.9650 None 0.133 0.536
document_2978 576.3200 576.3200 None 0.132 0.302
document_1844 483.2280 483.2280 None 0.132 0.274
document_3806 656.2830 656.2830 None 0.127 0.496
document_2196 503.2710 503.2710 None 0.123 0.344
document_2928 571.2290 571.2290 None 0.123 0.528
document_1510 459.3180 459.3180 None 0.119 0.604
document_2418 523.1290 523.1290 None 0.116 0.135
document_1321 445.2710 445.2710 None 0.111 0.526
document_2752 555.3490 555.3490 None 0.110 0.275
document_1723 473.2920 473.2920 None 0.104 0.525
document_317 413.2470 413.2470 None 0.102 0.162
document_1015 431.2510 431.2510 None 0.102 0.346
document_202 408.9060 408.9060 None 0.099 0.274
document_5896 1091.5630 1091.5630 None 0.097 0.135
document_1433 455.3240 455.3240 None 0.096 0.528
document_210 408.7440 408.7440 None 0.095 0.317
document_773 429.1780 429.1780 None 0.094 0.495
document_903 430.7190 430.7190 None 0.094 0.275
document_292 413.2320 413.2320 None 0.092 0.532
document_3025 581.8140 581.8140 None 0.092 0.530
document_3691 641.3330 641.3330 None 0.092 0.354
document_392 415.2690 415.2690 None 0.091 0.211
document_2382 518.2820 518.2820 None 0.089 0.524
document_1648 468.3060 468.3060 None 0.089 0.107
document_2042 497.2180 497.2180 None 0.087 0.140
document_1014 431.2500 431.2500 None 0.086 0.670
document_2219 505.2680 505.2680 None 0.084 0.535
document_2619 543.2710 543.2710 None 0.082 0.208
document_244 412.5410 412.5410 None 0.081 0.137
document_2456 526.4570 526.4570 None 0.080 0.136
document_1689 471.2820 471.2820 None 0.079 0.525
document_1931 489.2550 489.2550 None 0.079 0.661
document_1429 455.9340 455.9340 None 0.076 0.526
document_1413 456.2160 456.2160 None 0.075 0.524
document_770 429.5390 429.5390 None 0.075 0.301
document_2615 542.3210 542.3210 None 0.074 0.524
document_3414 620.2090 620.2090 None 0.074 0.660
document_400 415.2870 415.2870 None 0.073 0.277
document_1577 463.2940 463.2940 None 0.073 0.291
document_2084 499.5580 499.5580 None 0.072 0.572
document_307 413.2160 413.2160 None 0.071 0.502
document_2477 529.2320 529.2320 None 0.067 0.301
document_410 416.5220 416.5220 None 0.066 0.302
document_1017 431.7140 431.7140 None 0.065 0.301
document_539 422.3810 422.3810 None 0.065 0.301
document_2683 550.2220 550.2220 None 0.065 0.301
document_1795 479.2640 479.2640 None 0.064 0.304
document_840 429.3070 429.3070 None 0.063 0.614
document_3960 675.4680 675.4680 None 0.061 0.107
document_5883 1050.6980 1050.6980 None 0.061 0.246
document_2913 568.5230 568.5230 None 0.058 0.107
document_3474 627.3260 627.3260 None 0.058 0.245
document_4 400.2810 400.2810 None 0.058 0.502
document_1016 431.2500 431.2500 None 0.057 0.210
document_1492 458.2950 458.2950 None 0.056 0.499
document_5892 1078.7300 1078.7300 None 0.055 0.357
document_4070 680.4260 680.4260 None 0.055 0.357
document_1238 442.1520 442.1520 None 0.054 0.357
document_5465 787.3770 787.3770 None 0.053 0.520
document_798 429.1800 429.1800 None 0.052 0.385
document_402 415.2880 415.2880 None 0.052 0.503
document_2577 539.1700 539.1700 None 0.051 0.384
document_1020 432.1920 432.1920 None 0.050 0.303

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.