Mass2Motif: motif_39

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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 0.9382249167997558. 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_41.0500 0.170
fragment_358.2500 0.115
loss_169.1500 0.106
fragment_196.0500 0.060
loss_157.1500 0.044
fragment_329.0500 0.039
loss_96.0500 0.032
fragment_359.2500 0.030
fragment_360.2500 0.030
loss_125.1500 0.019
loss_40.0500 0.018
fragment_441.1500 0.017
fragment_705.9500 0.016
fragment_287.1500 0.016
fragment_705.4500 0.016
fragment_331.1500 0.011
fragment_315.1500 0.011
fragment_309.1500 0.010
fragment_371.2500 0.009
loss_128.1500 0.007
fragment_706.4500 0.007
fragment_330.0500 0.007
loss_155.1500 0.007
loss_156.4500 0.006
fragment_333.2500 0.006
fragment_278.1500 0.006
loss_180.5500 0.006
fragment_78.9500 0.006
loss_185.1500 0.006
fragment_301.1500 0.005
loss_156.1500 0.005
loss_68.0500 0.005
fragment_387.1500 0.004
loss_190.0500 0.004
fragment_442.1500 0.004
fragment_324.2500 0.004
fragment_218.0500 0.004
fragment_265.1500 0.004
loss_19.2500 0.004
fragment_608.0500 0.004
loss_42.0500 0.004
fragment_251.1500 0.004
fragment_391.2500 0.003
fragment_148.1500 0.003
loss_196.0500 0.003
fragment_184.8500 0.003
fragment_288.8500 0.003
fragment_161.6500 0.003
fragment_403.0500 0.003
fragment_394.2500 0.003
fragment_606.2500 0.003
fragment_340.1500 0.003
fragment_295.2500 0.002
loss_194.4500 0.002
loss_102.2500 0.002
loss_160.0500 0.002
fragment_376.1500 0.002
fragment_777.8500 0.002
fragment_59.0500 0.001
fragment_322.2500 0.001
fragment_62.9500 0.001
fragment_252.8500 0.001
fragment_138.0500 0.001
fragment_214.9500 0.001
fragment_443.1500 0.001
loss_70.0500 0.001
fragment_385.2500 0.001
fragment_377.1500 0.001
loss_64.1500 0.001

Counts of Classyfire Substituent terms

Term name Count in motif Percentage in motif Percentage in experiment Absolute difference
Hydrocarbon derivative 39 100 100 0
Organooxygen compound 39 100 95.3 4.7
Organonitrogen compound 28 71.8 54.1 17.7
Organic nitrogen compound 27 69.2 55.6 13.6
Organopnictogen compound 23 59.0 45.2 13.7
Azacycle 13 33.3 22.6 10.7
Carbonyl group 12 30.8 44.0 13.3
Benzenoid 9 23.1 18.3 4.7
Organoheterocyclic compound 6 15.4 13.3 2.1
Aromatic heteropolycyclic compound 6 15.4 9.6 5.7
Heteroaromatic compound 4 10.3 5.8 4.5
Oxacycle 3 7.7 7.9 0.2
Alcohol 3 7.7 14.7 7.0
Amine 3 7.7 4.4 3.3
Oxane 2 5.1 1.9 3.2
1-hydroxy-2-unsubstituted benzenoid 2 5.1 1.3 3.8
Phenol 2 5.1 0.5 4.7
Secondary alcohol 2 5.1 7.7 2.6
O-glycosyl compound 1 2.6 1.2 1.4
5-hydroxyflavonoid 1 2.6 0.0 2.5
Hydroxyflavonoid 1 2.6 0.0 2.5
Chromone 1 2.6 0.0 2.5
1-benzopyran 1 2.6 0.1 2.5
Pyranone 1 2.6 0.0 2.5
Pyran 1 2.6 0.1 2.5
1-hydroxy-4-unsubstituted benzenoid 1 2.6 0.2 2.3
Polyol 1 2.6 1.6 1.0

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_3930 671.4940 671.4940 None 0.999 0.296
document_3932 671.4970 671.4970 None 0.931 0.156
document_1448 456.2910 456.2910 None 0.852 0.286
document_3931 671.4940 671.4940 None 0.814 0.153
document_1751 475.3510 475.3510 None 0.754 0.066
document_2954 573.2000 573.2000 None 0.753 0.046
document_5716 881.3300 881.3300 None 0.733 0.032
document_2484 528.3490 528.3490 None 0.706 0.273
document_3473 627.3160 627.3160 None 0.669 0.056
document_5101 739.4140 739.4140 None 0.499 0.043
document_1418 455.3310 455.3310 None 0.454 0.196
document_1421 455.2570 455.2570 None 0.414 0.228
document_1420 455.2580 455.2580 None 0.411 0.216
document_1425 455.2860 455.2860 None 0.377 0.202
document_3919 669.4190 669.4190 None 0.348 0.118
document_1938 489.6890 489.6890 None 0.325 0.046
document_1419 455.2580 455.2580 None 0.289 0.206
document_2800 561.3640 561.3640 None 0.273 0.076
document_4755 717.5440 717.5440 None 0.248 0.153
document_2326 512.3540 512.3540 None 0.242 0.218
document_3892 666.6040 666.6040 None 0.209 0.193
document_2219 505.2680 505.2680 None 0.200 0.150
document_3885 666.5980 666.5980 None 0.198 0.198
document_2327 512.3540 512.3540 None 0.174 0.194
document_1988 493.3610 493.3610 None 0.156 0.061
document_4389 701.5030 701.5030 None 0.140 0.145
document_1501 459.1740 459.1740 None 0.124 0.193
document_1943 489.3660 489.3660 None 0.109 0.166
document_700 425.2270 425.2270 None 0.079 0.186
document_4365 697.4840 697.4840 None 0.075 0.126
document_1834 482.4330 482.4330 None 0.074 0.111
document_4742 716.4830 716.4830 None 0.072 0.174
document_225 410.1930 410.1930 None 0.071 0.170
document_4374 699.4900 699.4900 None 0.069 0.145
document_2794 560.4800 560.4800 None 0.064 0.177
document_3713 644.3270 644.3270 None 0.063 0.127
document_4398 702.4680 702.4680 None 0.062 0.173
document_546 421.2310 421.2310 None 0.062 0.105
document_2792 560.4800 560.4800 None 0.057 0.170

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.