Mass2Motif: motif_66

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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 0.9520630214208249. 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_147.1500 0.207
fragment_319.1500 0.184
fragment_320.1500 0.156
fragment_136.1500 0.049
fragment_134.1500 0.023
loss_191.6500 0.016
fragment_212.1500 0.014
loss_97.0500 0.013
fragment_122.0500 0.010
loss_194.2500 0.009
fragment_771.7500 0.008
loss_159.7500 0.008
fragment_327.1500 0.008
fragment_747.0500 0.007
fragment_151.1500 0.007
fragment_812.5500 0.007
fragment_130.4500 0.006
loss_111.1500 0.006
fragment_174.0500 0.005
loss_82.0500 0.005
loss_176.7500 0.004
fragment_243.1500 0.004
fragment_679.8500 0.004
loss_193.1500 0.004
loss_190.6500 0.004
fragment_880.2500 0.004
fragment_327.3500 0.004
fragment_405.1500 0.004
loss_185.5500 0.004
loss_199.6500 0.003
fragment_467.2500 0.003
fragment_527.2500 0.003
loss_71.0500 0.003
fragment_856.3500 0.003
fragment_516.9500 0.003
loss_81.3500 0.003
fragment_74.0500 0.003
fragment_132.1500 0.003
loss_44.0500 0.003
fragment_325.2500 0.003
loss_146.6500 0.003
fragment_554.2500 0.003
fragment_441.6500 0.002
fragment_787.3500 0.002
loss_46.5500 0.002
fragment_164.9500 0.002
fragment_297.2500 0.002
fragment_433.2500 0.002
fragment_541.7500 0.002
fragment_615.0500 0.002
loss_40.2500 0.002
fragment_687.3500 0.002
loss_31.0500 0.002
fragment_718.3500 0.002
fragment_617.3500 0.002
fragment_567.2500 0.002
loss_86.5500 0.002
fragment_726.8500 0.002
loss_170.1500 0.002
fragment_388.1500 0.002
fragment_214.1500 0.002
fragment_148.0500 0.002
fragment_689.4500 0.002
loss_162.8500 0.002
fragment_138.1500 0.002
fragment_87.0500 0.002
fragment_324.6500 0.002
fragment_442.7500 0.002
loss_155.5500 0.002
loss_119.5500 0.002
fragment_632.9500 0.002
fragment_512.1500 0.002
loss_76.1500 0.002
loss_139.1500 0.002
fragment_449.1500 0.002
fragment_478.7500 0.002
loss_40.4500 0.002
fragment_555.1500 0.002
loss_43.1500 0.002
fragment_557.8500 0.002
fragment_200.6500 0.002
fragment_653.1500 0.002
fragment_528.1500 0.002
loss_60.2500 0.002
loss_131.6500 0.002
fragment_238.0500 0.002
fragment_370.2500 0.002
fragment_466.8500 0.002
loss_131.4500 0.002
fragment_253.9500 0.002
loss_159.0500 0.002
fragment_86.0500 0.002
fragment_383.1500 0.001
loss_118.8500 0.001
fragment_662.3500 0.001
fragment_479.5500 0.001
loss_154.2500 0.001
fragment_434.0500 0.001
fragment_239.5500 0.001
loss_74.0500 0.001
fragment_752.3500 0.001
fragment_188.1500 0.001
loss_194.5500 0.001
fragment_457.5500 0.001
loss_130.7500 0.001
fragment_231.5500 0.001
fragment_822.3500 0.001
fragment_307.2500 0.001
fragment_189.1500 0.001
fragment_55.0500 0.001
fragment_242.1500 0.001
fragment_676.2500 0.001
loss_109.8500 0.001
fragment_321.4500 0.001
fragment_265.5500 0.001
loss_91.6500 0.001
fragment_339.6500 0.001
fragment_418.2500 0.001
loss_101.5500 0.001

Counts of Classyfire Substituent terms

Term name Count in motif Percentage in motif Percentage in experiment Absolute difference
Hydrocarbon derivative 36 100 100 0
Organooxygen compound 35 97.2 95.3 1.9
Organic nitrogen compound 26 72.2 55.6 16.6
Organonitrogen compound 25 69.4 54.1 15.3
Carbonyl group 23 63.9 44.0 19.9
Organopnictogen compound 21 58.3 45.2 13.1
Azacycle 9 25 22.6 2.4
Carboxamide group 7 19.4 5.5 14.0
Benzenoid 7 19.4 18.3 1.1
Amine 6 16.7 4.4 12.3
Alcohol 5 13.9 14.7 0.8
Organoheterocyclic compound 3 8.3 13.3 5.0
Oxacycle 3 8.3 7.9 0.4
Secondary alcohol 2 5.6 7.7 2.2
Primary alcohol 1 2.8 0.9 1.9
Carboxylic acid ester 1 2.8 1.8 1.0
Polyol 1 2.8 1.6 1.2
Acetal 1 2.8 1.5 1.3
1-hydroxy-2-unsubstituted benzenoid 1 2.8 1.3 1.5
Vinylogous acid 1 2.8 0.1 2.7
Aromatic heteropolycyclic compound 1 2.8 9.6 6.9

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_2391 519.7560 519.7560 None 0.723 0.412
document_1146 437.2370 437.2370 None 0.546 0.267
document_3090 588.3090 588.3090 None 0.520 0.091
document_2292 510.7500 510.7500 None 0.513 0.385
document_3605 637.3890 637.3890 None 0.478 0.340
document_3207 598.3070 598.3070 None 0.432 0.232
document_4058 679.3990 679.3990 None 0.351 0.188
document_221 409.3820 409.3820 None 0.335 0.288
document_1019 431.2510 431.2510 None 0.237 0.399
document_1523 460.3100 460.3100 None 0.216 0.225
document_1022 431.9200 431.9200 None 0.199 0.028
document_3444 623.3630 623.3630 None 0.180 0.185
document_2000 496.6340 496.6340 None 0.168 0.342
document_375 414.3200 414.3200 None 0.144 0.049
document_418 417.2240 417.2240 None 0.140 0.170
document_3422 620.3620 620.3620 None 0.115 0.169
document_1152 437.2740 437.2740 None 0.115 0.185
document_2415 522.2560 522.2560 None 0.113 0.155
document_461 419.4870 419.4870 None 0.111 0.158
document_2293 510.7510 510.7510 None 0.097 0.226
document_3151 594.8230 594.8230 None 0.092 0.220
document_3493 629.3490 629.3490 None 0.092 0.156
document_1257 443.2220 443.2220 None 0.073 0.186
document_3358 613.2720 613.2720 None 0.065 0.343
document_1167 439.7580 439.7580 None 0.064 0.220
document_1906 487.3100 487.3100 None 0.064 0.207
document_2206 504.2790 504.2790 None 0.063 0.158
document_5433 778.4880 778.4880 None 0.063 0.214
document_2386 518.7780 518.7780 None 0.062 0.394
document_2752 555.3490 555.3490 None 0.061 0.225
document_3982 677.4710 677.4710 None 0.060 0.156
document_3836 661.2800 661.2800 None 0.058 0.209
document_3837 660.3350 660.3350 None 0.054 0.343
document_5775 920.4980 920.4980 None 0.052 0.156
document_2924 569.3650 569.3650 None 0.051 0.215
document_3924 670.2300 670.2300 None 0.051 0.207

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.