Mass2Motif: motif_194

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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 0.9584500325034567. 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_327.2500 0.450
fragment_561.3500 0.087
fragment_328.2500 0.080
fragment_562.3500 0.034
fragment_455.1500 0.027
fragment_713.3500 0.026
loss_34.0500 0.024
loss_81.0500 0.023
loss_174.0500 0.018
fragment_713.8500 0.013
loss_80.5500 0.013
fragment_515.2500 0.009
fragment_66.7500 0.009
fragment_714.3500 0.008
fragment_62.0500 0.007
fragment_456.1500 0.007
loss_80.0500 0.007
fragment_296.2500 0.005
fragment_165.1500 0.005
fragment_192.1500 0.005
fragment_155.0500 0.005
fragment_172.0500 0.005
fragment_457.1500 0.004
fragment_271.2500 0.004
fragment_342.2500 0.003
fragment_245.2500 0.003
loss_79.5500 0.003
fragment_714.8500 0.003
fragment_427.2500 0.003
loss_197.0500 0.003
fragment_197.9500 0.003
fragment_297.2500 0.003
loss_171.0500 0.003
fragment_891.4500 0.003
fragment_598.2500 0.002
fragment_963.4500 0.002
fragment_529.3500 0.002
fragment_173.9500 0.002
loss_66.0500 0.002
fragment_154.1500 0.002
fragment_863.9500 0.002
fragment_382.2500 0.002
fragment_992.9500 0.002
fragment_454.8500 0.002
fragment_252.1500 0.002
fragment_655.5500 0.002
fragment_75.0500 0.002
fragment_329.2500 0.002
fragment_632.3500 0.001
fragment_563.3500 0.001
fragment_636.2500 0.001
fragment_715.3500 0.001
loss_74.5500 0.001
loss_79.0500 0.001
fragment_719.7500 0.001
fragment_514.2500 0.001
fragment_925.2500 0.001
fragment_620.3500 0.001
fragment_602.7500 0.001
loss_158.1500 0.001
fragment_167.0500 0.001
fragment_516.2500 0.001
fragment_175.4500 0.001
fragment_401.7500 0.001
fragment_330.1500 0.001
fragment_200.8500 0.001
loss_191.6500 0.001
fragment_571.2500 0.001
fragment_508.6500 0.001
fragment_345.1500 0.001
fragment_896.3500 0.001

Counts of Classyfire Substituent terms

Term name Count in motif Percentage in motif Percentage in experiment Absolute difference
Hydrocarbon derivative 31 100 100 0
Organooxygen compound 29 93.5 95.3 1.8
Carbonyl group 19 61.3 44.0 17.3
Organic nitrogen compound 16 51.6 55.6 4.0
Organonitrogen compound 15 48.4 54.1 5.7
Organopnictogen compound 11 35.5 45.2 9.8
Azacycle 9 29.0 22.6 6.4
Benzenoid 6 19.4 18.3 1.0
Alcohol 5 16.1 14.7 1.5
Secondary alcohol 5 16.1 7.7 8.4
Organoheterocyclic compound 3 9.7 13.3 3.6
Oxacycle 3 9.7 7.9 1.8
Carboxamide group 2 6.5 5.5 1.0
Aromatic heteropolycyclic compound 1 3.2 9.6 6.4
Carboxylic acid ester 1 3.2 1.8 1.4

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_5725 887.1990 887.1990 None 0.978 0.040
document_5488 794.3720 794.3720 None 0.854 0.166
document_3192 595.3840 595.3840 None 0.771 0.154
document_3687 640.4900 640.4900 None 0.590 0.533
document_1649 468.3070 468.3070 None 0.511 0.549
document_1650 468.3060 468.3060 None 0.511 0.547
document_1652 468.3070 468.3070 None 0.495 0.467
document_1647 468.3090 468.3090 None 0.464 0.539
document_1651 468.3090 468.3090 None 0.432 0.542
document_2949 571.3830 571.3830 None 0.376 0.538
document_4395 702.4010 702.4010 None 0.316 0.152
document_1653 468.3230 468.3230 None 0.290 0.464
document_4392 702.4100 702.4100 None 0.271 0.122
document_2948 571.3810 571.3810 None 0.240 0.539
document_3726 645.4530 645.4530 None 0.205 0.534
document_3303 609.3020 609.3020 None 0.180 0.450
document_4364 697.4800 697.4800 None 0.177 0.450
document_3302 609.3020 609.3020 None 0.142 0.450
document_2915 568.2950 568.2950 None 0.101 0.455
document_5313 760.4540 760.4540 None 0.097 0.450
document_2445 526.1110 526.1110 None 0.093 0.450
document_1725 473.3440 473.3440 None 0.085 0.540
document_1893 487.0680 487.0680 None 0.079 0.450
document_1952 490.2900 490.2900 None 0.078 0.529
document_3301 609.3020 609.3020 None 0.076 0.450
document_5279 757.3230 757.3230 None 0.071 0.449
document_2183 501.3530 501.3530 None 0.071 0.448
document_3844 661.3200 661.3200 None 0.069 0.088
document_3092 588.3600 588.3600 None 0.065 0.081
document_1314 444.5970 444.5970 None 0.065 0.450
document_3378 614.3490 614.3490 None 0.058 0.451

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.