Mass2Motif: motif_2

Return to experiment crusemann

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 0.9609886944885667. 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
loss_104.0500 0.156
fragment_282.1500 0.113
loss_176.1500 0.103
loss_153.1500 0.072
loss_103.0500 0.071
loss_154.1500 0.050
loss_126.2500 0.045
fragment_383.4500 0.032
loss_98.2500 0.030
fragment_377.2500 0.029
fragment_347.2500 0.018
loss_198.3500 0.018
fragment_520.2500 0.017
fragment_305.1500 0.010
fragment_80.9500 0.009
fragment_164.1500 0.008
fragment_229.2500 0.007
fragment_378.2500 0.006
fragment_372.2500 0.006
fragment_639.5500 0.006
fragment_132.1500 0.006
fragment_384.4500 0.005
loss_171.2500 0.005
loss_175.1500 0.005
fragment_297.2500 0.005
fragment_647.0500 0.005
loss_129.4500 0.005
fragment_220.3500 0.004
fragment_201.4500 0.004
fragment_391.2500 0.004
fragment_87.4500 0.004
fragment_348.2500 0.003
fragment_189.1500 0.003
fragment_345.2500 0.003
loss_178.1500 0.003
fragment_256.9500 0.003
fragment_750.1500 0.003
fragment_235.9500 0.003
loss_26.3500 0.003
fragment_75.0500 0.003
loss_134.0500 0.003
fragment_283.1500 0.003
fragment_230.2500 0.003
loss_64.0500 0.003
fragment_302.1500 0.003
fragment_420.2500 0.003
loss_52.2500 0.002
fragment_724.3500 0.002
fragment_172.2500 0.002
fragment_446.8500 0.002
fragment_353.3500 0.002
fragment_444.2500 0.002
fragment_726.4500 0.002
fragment_627.9500 0.002
loss_148.6500 0.002
fragment_739.5500 0.002
loss_36.9500 0.002
loss_194.2500 0.002
loss_59.1500 0.002
loss_67.1500 0.002
fragment_171.9500 0.002
fragment_102.0500 0.002
fragment_374.8500 0.002
loss_80.4500 0.002
fragment_490.8500 0.002
loss_50.0500 0.002
fragment_250.0500 0.002
fragment_419.2500 0.001
loss_102.1500 0.001
loss_32.5500 0.001
loss_148.1500 0.001
loss_58.1500 0.001
fragment_174.0500 0.001
loss_170.2500 0.001
fragment_149.1500 0.001
fragment_388.1500 0.001
fragment_745.4500 0.001
fragment_393.3500 0.001
fragment_83.0500 0.001
loss_28.9500 0.001
fragment_494.3500 0.001
fragment_182.0500 0.001

Counts of Classyfire Substituent terms

Term name Count in motif Percentage in motif Percentage in experiment Absolute difference
Hydrocarbon derivative 45 100 100 0
Organooxygen compound 44 97.8 95.3 2.4
Organic nitrogen compound 19 42.2 55.6 13.4
Benzenoid 18 40 18.3 21.7
Organonitrogen compound 16 35.6 54.1 18.6
Aromatic heteropolycyclic compound 14 31.1 9.6 21.5
Organopnictogen compound 13 28.9 45.2 16.4
Carbonyl group 13 28.9 44.0 15.1
Azacycle 9 20 22.6 2.6
Oxacycle 6 13.3 7.9 5.4
Heteroaromatic compound 6 13.3 5.8 7.6
Organoheterocyclic compound 5 11.1 13.3 2.2
Amine 3 6.7 4.4 2.3
Carboxylic acid ester 2 4.4 1.8 2.6
Carboxamide group 2 4.4 5.5 1.0
Aliphatic acyclic compound 2 4.4 2.9 1.5
Alcohol 1 2.2 14.7 12.4
1-hydroxy-2-unsubstituted benzenoid 1 2.2 1.3 0.9
1-hydroxy-4-unsubstituted benzenoid 1 2.2 0.2 2.0

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_1819 481.3110 481.3110 None 0.962 0.404
document_4064 679.6480 679.6480 None 0.877 0.051
document_2427 523.3580 523.3580 None 0.821 0.378
document_2458 526.4600 526.4600 None 0.643 0.176
document_1375 450.3800 450.3800 None 0.566 0.144
document_5424 776.5100 776.5100 None 0.551 0.063
document_231 410.4350 410.4350 None 0.478 0.125
document_1438 455.3320 455.3320 None 0.400 0.131
document_670 422.2450 422.2450 None 0.351 0.124
document_1424 455.3140 455.3140 None 0.347 0.143
document_1374 450.3810 450.3810 None 0.305 0.122
document_449 419.3770 419.3770 None 0.303 0.105
document_2446 525.3490 525.3490 None 0.300 0.157
document_2469 527.3160 527.3160 None 0.289 0.236
document_1793 479.2050 479.2050 None 0.251 0.081
document_1161 439.2640 439.2640 None 0.215 0.194
document_2444 525.3430 525.3430 None 0.192 0.225
document_817 429.2430 429.2430 None 0.189 0.263
document_3015 580.4190 580.4190 None 0.153 0.111
document_2157 499.1970 499.1970 None 0.152 0.113
document_1273 443.2490 443.2490 None 0.149 0.103
document_2785 559.4170 559.4170 None 0.148 0.113
document_2473 527.3170 527.3170 None 0.132 0.226
document_2467 527.3150 527.3150 None 0.131 0.229
document_431 419.3550 419.3550 None 0.125 0.060
document_3469 626.3320 626.3320 None 0.116 0.072
document_443 419.4060 419.4060 None 0.116 0.059
document_1231 441.3510 441.3510 None 0.112 0.046
document_2752 555.3490 555.3490 None 0.104 0.115
document_423 417.2750 417.2750 None 0.103 0.127
document_1218 441.2970 441.2970 None 0.099 0.045
document_1743 475.2870 475.2870 None 0.087 0.158
document_1516 460.1830 460.1830 None 0.084 0.116
document_2511 531.3840 531.3840 None 0.073 0.111
document_1817 481.2750 481.2750 None 0.073 0.184
document_325 413.2340 413.2340 None 0.071 0.045
document_427 419.3710 419.3710 None 0.071 0.042
document_1418 455.3310 455.3310 None 0.067 0.124
document_1692 471.2930 471.2930 None 0.064 0.164
document_338 413.2460 413.2460 None 0.062 0.161
document_1732 473.3440 473.3440 None 0.061 0.113
document_363 413.2680 413.2680 None 0.057 0.131
document_699 425.2150 425.2150 None 0.054 0.113
document_84 401.2850 401.2850 None 0.051 0.103
document_2782 559.4160 559.4160 None 0.051 0.226

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.