Mass2Motif: motif_47

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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 0.9440395670235702. 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_173.1500 0.300
fragment_201.0500 0.181
fragment_141.1500 0.070
loss_184.0500 0.053
fragment_129.0500 0.020
fragment_70.0500 0.018
loss_167.1500 0.017
fragment_132.1500 0.017
fragment_136.0500 0.015
fragment_169.0500 0.014
fragment_233.0500 0.013
loss_173.2500 0.012
fragment_213.0500 0.012
loss_178.0500 0.010
loss_96.8500 0.008
fragment_84.0500 0.008
fragment_254.1500 0.008
fragment_306.1500 0.007
loss_172.6500 0.007
loss_131.1500 0.007
fragment_72.0500 0.007
fragment_371.6500 0.006
loss_191.6500 0.006
loss_198.6500 0.006
fragment_461.7500 0.005
fragment_61.0500 0.005
fragment_216.1500 0.005
fragment_145.0500 0.005
fragment_140.9500 0.004
loss_189.8500 0.004
fragment_310.1500 0.004
loss_105.6500 0.004
fragment_355.6500 0.004
fragment_248.1500 0.003
loss_104.9500 0.003
fragment_332.9500 0.003
fragment_331.0500 0.003
loss_179.1500 0.003
loss_130.2500 0.003
fragment_204.9500 0.003
fragment_330.1500 0.003
loss_116.8500 0.003
fragment_325.0500 0.002
loss_178.1500 0.002
fragment_113.0500 0.002
loss_65.1500 0.002
loss_151.1500 0.002
loss_191.8500 0.002
fragment_174.1500 0.002
loss_165.1500 0.002
loss_115.6500 0.002
loss_158.0500 0.002
fragment_548.3500 0.002
fragment_255.1500 0.002
fragment_293.5500 0.002
loss_108.1500 0.002
fragment_266.1500 0.002
fragment_740.3500 0.001
loss_171.6500 0.001
loss_17.7500 0.001
fragment_477.5500 0.001
fragment_74.0500 0.001
fragment_368.7500 0.001
loss_82.0500 0.001
loss_92.4500 0.001
fragment_317.6500 0.001
fragment_380.2500 0.001
loss_73.5500 0.001
fragment_295.2500 0.001
loss_58.1500 0.001
fragment_572.3500 0.001
loss_158.6500 0.001
fragment_625.4500 0.001
fragment_450.1500 0.001
loss_45.1500 0.001
fragment_491.7500 0.001
fragment_315.2500 0.001
fragment_430.1500 0.001

Counts of Classyfire Substituent terms

Term name Count in motif Percentage in motif Percentage in experiment Absolute difference
Hydrocarbon derivative 51 100 100 0
Organooxygen compound 51 100 95.3 4.7
Organonitrogen compound 43 84.3 54.1 30.2
Organic nitrogen compound 42 82.4 55.6 26.7
Organopnictogen compound 33 64.7 45.2 19.5
Carbonyl group 30 58.8 44.0 14.8
Azacycle 19 37.3 22.6 14.6
Organoheterocyclic compound 10 19.6 13.3 6.3
Benzenoid 8 15.7 18.3 2.7
Amine 7 13.7 4.4 9.4
Carboxamide group 7 13.7 5.5 8.2
Aromatic heteropolycyclic compound 5 9.8 9.6 0.2
Oxacycle 5 9.8 7.9 1.9
Alcohol 4 7.8 14.7 6.8
Secondary alcohol 3 5.9 7.7 1.8
Heteroaromatic compound 2 3.9 5.8 1.8
Aliphatic acyclic compound 2 3.9 2.9 1.0
Carboxylic acid ester 2 3.9 1.8 2.1

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_1118 437.1520 437.1520 None 0.734 0.190
document_1528 461.2590 461.2590 None 0.491 0.397
document_128 403.2450 403.2450 None 0.466 0.335
document_1150 437.9640 437.9640 None 0.376 0.358
document_730 427.0740 427.0740 None 0.367 0.280
document_330 413.2440 413.2440 None 0.331 0.181
document_2818 563.2880 563.2880 None 0.321 0.351
document_39 401.7740 401.7740 None 0.319 0.352
document_91 402.4470 402.4470 None 0.308 0.321
document_1015 431.2510 431.2510 None 0.291 0.537
document_2006 495.2790 495.2790 None 0.245 0.418
document_1139 437.2400 437.2400 None 0.216 0.349
document_1321 445.2710 445.2710 None 0.205 0.221
document_308 413.2290 413.2290 None 0.204 0.090
document_1324 445.3030 445.3030 None 0.190 0.339
document_1046 433.2620 433.2620 None 0.177 0.350
document_3013 580.2980 580.2980 None 0.177 0.207
document_57 401.2470 401.2470 None 0.168 0.313
document_236 411.1570 411.1570 None 0.165 0.256
document_1337 447.2060 447.2060 None 0.128 0.325
document_1315 444.2910 444.2910 None 0.122 0.305
document_821 429.2460 429.2460 None 0.117 0.181
document_232 411.1490 411.1490 None 0.097 0.300
document_355 413.7470 413.7470 None 0.097 0.192
document_731 427.0740 427.0740 None 0.096 0.366
document_3026 584.2700 584.2700 None 0.092 0.045
document_3853 662.3320 662.3320 None 0.089 0.319
document_3506 631.9830 631.9830 None 0.088 0.096
document_2215 505.6530 505.6530 None 0.083 0.105
document_1825 482.1830 482.1830 None 0.080 0.195
document_3921 669.4480 669.4480 None 0.079 0.307
document_5791 939.5720 939.5720 None 0.079 0.311
document_344 413.2520 413.2520 None 0.075 0.318
document_1683 470.2910 470.2910 None 0.073 0.317
document_1455 458.0100 458.0100 None 0.068 0.107
document_3837 660.3350 660.3350 None 0.066 0.095
document_374 413.3770 413.3770 None 0.063 0.300
document_735 429.5200 429.5200 None 0.062 0.348
document_2979 576.3130 576.3130 None 0.061 0.202
document_1166 439.2910 439.2910 None 0.060 0.030
document_2380 518.2820 518.2820 None 0.059 0.385
document_2663 548.2980 548.2980 None 0.058 0.204
document_2977 576.3510 576.3510 None 0.058 0.222
document_1795 479.2640 479.2640 None 0.057 0.322
document_536 421.1950 421.1950 None 0.057 0.182
document_790 429.1950 429.1950 None 0.056 0.211
document_537 421.2090 421.2090 None 0.056 0.094
document_273 413.2210 413.2210 None 0.054 0.160
document_4588 709.4140 709.4140 None 0.052 0.240
document_209 408.5930 408.5930 None 0.051 0.181
document_2205 504.2680 504.2680 None 0.051 0.326

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.