Mass2Motif: motif_139

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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 0.9421771937941683. 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_268.2500 0.275
loss_174.1500 0.164
loss_134.1500 0.090
fragment_269.3500 0.036
loss_136.2500 0.027
fragment_658.2500 0.025
fragment_293.0500 0.023
fragment_579.5500 0.020
fragment_269.2500 0.019
loss_58.0500 0.018
fragment_662.2500 0.018
fragment_676.2500 0.017
loss_140.7500 0.014
loss_196.1500 0.014
loss_138.7500 0.013
fragment_256.2500 0.012
loss_135.2500 0.010
loss_194.2500 0.010
fragment_294.0500 0.010
fragment_618.2500 0.010
fragment_239.2500 0.009
loss_135.3500 0.007
loss_82.1500 0.006
fragment_257.2500 0.006
fragment_347.1500 0.006
loss_139.7500 0.006
fragment_580.5500 0.005
fragment_441.2500 0.004
loss_65.7500 0.004
loss_137.7500 0.003
fragment_123.5500 0.003
fragment_619.2500 0.003
fragment_563.8500 0.003
loss_156.4500 0.003
loss_82.9500 0.003
fragment_637.3500 0.003
fragment_220.4500 0.002
loss_101.0500 0.002
fragment_125.1500 0.002
fragment_97.0500 0.002
fragment_302.2500 0.002
loss_106.1500 0.002
fragment_663.2500 0.002
fragment_75.0500 0.002
loss_144.9500 0.002
loss_118.1500 0.002
loss_181.3500 0.002
fragment_270.3500 0.002
fragment_659.2500 0.002
loss_149.8500 0.002
fragment_237.9500 0.001
fragment_119.4500 0.001
fragment_442.2500 0.001
loss_64.6500 0.001
fragment_358.9500 0.001
loss_191.3500 0.001
fragment_231.1500 0.001
fragment_604.2500 0.001
fragment_267.2500 0.001
loss_116.0500 0.001
loss_101.2500 0.001
loss_147.5500 0.001
fragment_167.0500 0.001
fragment_268.7500 0.001
loss_185.3500 0.001

Counts of Classyfire Substituent terms

Term name Count in motif Percentage in motif Percentage in experiment Absolute difference
Hydrocarbon derivative 60 100 100 0
Organooxygen compound 57 95 95.3 0.3
Organic nitrogen compound 21 35 55.6 20.6
Organonitrogen compound 19 31.7 54.1 22.4
Organopnictogen compound 14 23.3 45.2 21.9
Carbonyl group 12 20 44.0 24.0
Benzenoid 9 15 18.3 3.3
Alcohol 7 11.7 14.7 3.0
Aromatic heteropolycyclic compound 7 11.7 9.6 2.0
Heteroaromatic compound 4 6.7 5.8 0.9
Azacycle 4 6.7 22.6 15.9
Secondary alcohol 3 5 7.7 2.7
Organoheterocyclic compound 3 5 13.3 8.3
Oxacycle 3 5 7.9 2.9
Amine 2 3.3 4.4 1.0
Carboxylic acid ester 1 1.7 1.8 0.1
Aliphatic acyclic compound 1 1.7 2.9 1.3
Carboxamide group 1 1.7 5.5 3.8

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_2251 506.5280 506.5280 None 0.906 0.331
document_2254 506.9700 506.9700 None 0.880 0.312
document_2815 563.0940 563.0940 None 0.822 0.034
document_2245 506.5280 506.5280 None 0.810 0.327
document_2235 506.5280 506.5280 None 0.788 0.298
document_2239 506.5280 506.5280 None 0.782 0.338
document_2248 506.5300 506.5300 None 0.777 0.318
document_2231 506.5290 506.5290 None 0.747 0.343
document_2230 506.5330 506.5330 None 0.745 0.349
document_2241 506.5280 506.5280 None 0.734 0.325
document_4830 720.2700 720.2700 None 0.719 0.121
document_2229 506.5280 506.5280 None 0.709 0.304
document_4757 718.2880 718.2880 None 0.706 0.086
document_4829 720.2620 720.2620 None 0.681 0.132
document_2257 506.5300 506.5300 None 0.677 0.323
document_2240 506.5860 506.5860 None 0.635 0.333
document_2246 506.5280 506.5280 None 0.611 0.305
document_2200 504.3900 504.3900 None 0.610 0.335
document_2243 506.5280 506.5280 None 0.551 0.300
document_2233 506.5770 506.5770 None 0.491 0.322
document_825 429.2460 429.2460 None 0.425 0.201
document_2238 506.5270 506.5270 None 0.403 0.294
document_824 429.2460 429.2460 None 0.384 0.047
document_2374 517.5240 517.5240 None 0.353 0.037
document_2252 506.5280 506.5280 None 0.342 0.306
document_1361 449.2870 449.2870 None 0.298 0.097
document_1076 435.2040 435.2040 None 0.188 0.090
document_2927 570.2820 570.2820 None 0.186 0.164
document_2255 506.5300 506.5300 None 0.176 0.314
document_5542 811.3310 811.3310 None 0.165 0.107
document_527 421.1520 421.1520 None 0.149 0.090
document_1262 443.2370 443.2370 None 0.119 0.164
document_525 421.2000 421.2000 None 0.116 0.090
document_1271 443.2470 443.2470 None 0.110 0.164
document_823 429.2460 429.2460 None 0.109 0.177
document_3455 625.3890 625.3890 None 0.107 0.092
document_1273 443.2490 443.2490 None 0.103 0.164
document_815 429.2450 429.2450 None 0.090 0.178
document_1269 443.2390 443.2390 None 0.087 0.166
document_1514 459.3410 459.3410 None 0.084 0.164
document_126 403.1970 403.1970 None 0.082 0.164
document_2183 501.3530 501.3530 None 0.079 0.254
document_820 429.2460 429.2460 None 0.078 0.105
document_813 429.2420 429.2420 None 0.077 0.104
document_1272 443.2540 443.2540 None 0.077 0.166
document_4273 691.1800 691.1800 None 0.071 0.287
document_67 401.2480 401.2480 None 0.071 0.027
document_427 419.3710 419.3710 None 0.069 0.027
document_2182 501.3540 501.3540 None 0.063 0.272
document_28 401.2950 401.2950 None 0.060 0.164
document_818 429.2450 429.2450 None 0.059 0.178
document_806 429.2450 429.2450 None 0.057 0.267
document_1264 443.2370 443.2370 None 0.057 0.164
document_1325 445.3260 445.3260 None 0.057 0.254
document_732 427.1520 427.1520 None 0.055 0.113
document_50 401.3270 401.3270 None 0.054 0.010
document_5892 1078.7300 1078.7300 None 0.053 0.274
document_4766 718.4560 718.4560 None 0.052 0.275
document_109 402.3530 402.3530 None 0.052 0.274
document_234 411.2430 411.2430 None 0.052 0.036

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.