Mass2Motif: motif_294

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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 0.9512866094671976. 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_191.1500 0.246
loss_173.1500 0.130
fragment_591.4500 0.091
loss_53.9500 0.026
fragment_592.4500 0.023
fragment_457.1500 0.020
fragment_759.3500 0.019
loss_182.0500 0.017
fragment_496.1500 0.017
loss_118.1500 0.016
loss_168.0500 0.015
fragment_743.3500 0.015
fragment_289.0500 0.014
fragment_349.1500 0.012
fragment_205.0500 0.012
loss_166.0500 0.011
fragment_439.1500 0.011
fragment_287.9500 0.011
loss_188.0500 0.010
loss_72.0500 0.010
loss_172.1500 0.010
fragment_345.1500 0.009
loss_67.0500 0.009
loss_52.9500 0.009
fragment_741.3500 0.008
fragment_481.2500 0.008
fragment_593.4500 0.007
fragment_458.1500 0.007
fragment_331.1500 0.007
loss_180.0500 0.007
fragment_86.1500 0.007
fragment_628.3500 0.006
fragment_713.2500 0.006
fragment_459.1500 0.006
loss_51.9500 0.006
fragment_220.9500 0.005
fragment_333.1500 0.005
fragment_514.2500 0.005
loss_142.0500 0.005
fragment_402.1500 0.005
fragment_273.1500 0.004
fragment_323.0500 0.004
fragment_515.2500 0.004
fragment_593.5500 0.003
fragment_54.1500 0.003
loss_71.0500 0.003
loss_171.0500 0.003
fragment_294.2500 0.003
fragment_588.4500 0.003
loss_178.0500 0.003
fragment_333.0500 0.003
fragment_277.0500 0.003
fragment_232.1500 0.002
fragment_268.8500 0.002
fragment_742.3500 0.002
fragment_760.3500 0.002
fragment_192.1500 0.002
fragment_764.1500 0.002
fragment_442.2500 0.002
fragment_754.3500 0.002
fragment_101.0500 0.002
fragment_144.0500 0.002
fragment_394.1500 0.002
loss_156.1500 0.002
loss_40.0500 0.001
fragment_471.1500 0.001
fragment_339.1500 0.001
fragment_555.8500 0.001
loss_103.5500 0.001
fragment_65.0500 0.001
fragment_721.6500 0.001
fragment_438.1500 0.001
fragment_157.0500 0.001
fragment_555.2500 0.001
fragment_411.1500 0.001
fragment_222.1500 0.001
fragment_188.1500 0.001
fragment_496.2500 0.001
loss_108.0500 0.001
fragment_365.2500 0.001
fragment_641.5500 0.001
fragment_525.4500 0.001
loss_134.0500 0.001
loss_17.9500 0.001

Counts of Classyfire Substituent terms

Term name Count in motif Percentage in motif Percentage in experiment Absolute difference
Hydrocarbon derivative 38 100 100 0
Organooxygen compound 37 97.4 95.3 2.0
Organic nitrogen compound 24 63.2 55.6 7.5
Organonitrogen compound 21 55.3 54.1 1.1
Organopnictogen compound 18 47.4 45.2 2.1
Carbonyl group 14 36.8 44.0 7.2
Organoheterocyclic compound 11 28.9 13.3 15.6
Azacycle 11 28.9 22.6 6.3
Benzenoid 7 18.4 18.3 0.1
Oxacycle 6 15.8 7.9 7.9
Aromatic heteropolycyclic compound 4 10.5 9.6 0.9
Alcohol 4 10.5 14.7 4.1
Heteroaromatic compound 2 5.3 5.8 0.5
Oxane 2 5.3 1.9 3.4
Secondary alcohol 2 5.3 7.7 2.4
Glycosyl compound 1 2.6 0.7 1.9
Polyol 1 2.6 1.6 1.0
Acetal 1 2.6 1.5 1.2
Aliphatic acyclic compound 1 2.6 2.9 0.3

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_2294 511.1580 511.1580 None 0.817 0.178
document_3833 659.4820 659.4820 None 0.650 0.160
document_5806 947.4500 947.4500 None 0.615 0.059
document_2372 517.2520 517.2520 None 0.574 0.219
document_3379 614.2690 614.2690 None 0.545 0.075
document_3834 659.4840 659.4840 None 0.514 0.119
document_3832 659.4820 659.4820 None 0.510 0.118
document_2686 550.2990 550.2990 None 0.408 0.274
document_1988 493.3610 493.3610 None 0.400 0.153
document_3831 659.4820 659.4820 None 0.349 0.110
document_673 423.2020 423.2020 Sevadicin 0.227 0.264
document_680 423.3170 423.3170 None 0.196 0.131
document_5699 870.0110 870.0110 None 0.190 0.117
document_3140 592.3420 592.3420 None 0.164 0.140
document_35 401.2050 401.2050 None 0.140 0.130
document_5826 959.5150 959.5150 None 0.135 0.246
document_187 408.7760 408.7760 None 0.133 0.250
document_2808 562.3780 562.3780 None 0.116 0.246
document_3096 588.4960 588.4960 None 0.111 0.244
document_2657 546.4890 546.4890 None 0.107 0.246
document_4965 732.4050 732.4050 None 0.095 0.091
document_5824 959.5150 959.5150 None 0.093 0.246
document_1139 437.2400 437.2400 None 0.089 0.246
document_2261 507.2570 507.2570 None 0.083 0.252
document_4113 683.3560 683.3560 None 0.080 0.036
document_1578 463.2920 463.2920 None 0.079 0.246
document_1402 453.1940 453.1940 None 0.069 0.130
document_1126 437.2200 437.2200 None 0.067 0.252
document_1811 481.2190 481.2190 None 0.066 0.035
document_1751 475.3510 475.3510 None 0.063 0.141
document_3555 634.8740 634.8740 None 0.062 0.246
document_1708 472.3390 472.3390 None 0.060 0.387
document_329 413.2780 413.2780 None 0.057 0.246
document_4748 716.9490 716.9490 None 0.056 0.255
document_3381 614.3520 614.3520 None 0.054 0.245
document_538 421.2120 421.2120 None 0.053 0.018
document_1839 483.2080 483.2080 None 0.051 0.151
document_2933 570.3630 570.3630 None 0.050 0.246

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.