Mass2Motif: motif_240

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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 0.9669871709929971. 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_181.0500 0.111
fragment_309.2500 0.100
fragment_339.2500 0.074
loss_66.1500 0.048
fragment_678.1500 0.046
fragment_349.1500 0.040
fragment_549.0500 0.029
fragment_546.2500 0.028
loss_128.0500 0.026
loss_80.0500 0.023
loss_180.0500 0.022
fragment_357.2500 0.021
fragment_539.2500 0.020
fragment_809.5500 0.018
fragment_679.1500 0.016
fragment_357.1500 0.014
loss_127.0500 0.014
fragment_433.1500 0.012
loss_157.0500 0.012
fragment_550.0500 0.011
loss_118.7500 0.010
fragment_147.4500 0.010
fragment_731.4500 0.010
fragment_591.3500 0.009
fragment_754.7500 0.009
fragment_167.0500 0.009
fragment_329.2500 0.008
fragment_732.4500 0.008
fragment_240.1500 0.007
fragment_754.4500 0.007
loss_144.1500 0.007
loss_126.4500 0.006
fragment_786.0500 0.006
fragment_633.4500 0.006
fragment_370.6500 0.006
loss_66.6500 0.006
fragment_296.1500 0.005
fragment_755.4500 0.005
fragment_821.4500 0.005
loss_52.0500 0.005
fragment_810.5500 0.005
fragment_241.1500 0.004
fragment_654.5500 0.004
loss_122.1500 0.004
loss_82.1500 0.004
loss_117.7500 0.004
fragment_528.2500 0.004
loss_156.0500 0.004
fragment_434.1500 0.004
fragment_164.9500 0.004
loss_97.9500 0.004
fragment_680.1500 0.004
fragment_755.7500 0.004
fragment_362.1500 0.004
fragment_226.1500 0.003
fragment_775.8500 0.003
fragment_787.7500 0.003
loss_85.7500 0.003
fragment_684.9500 0.003
fragment_684.4500 0.003
loss_136.6500 0.003
fragment_691.4500 0.003
fragment_108.9500 0.003
fragment_669.2500 0.003
fragment_531.0500 0.003
fragment_756.1500 0.003
loss_117.3500 0.003
fragment_141.0500 0.003
fragment_551.0500 0.003
fragment_340.2500 0.003
fragment_358.2500 0.002
fragment_294.9500 0.002
fragment_960.8500 0.002
fragment_389.1500 0.002
fragment_994.9500 0.002
fragment_696.0500 0.002
loss_177.4500 0.002
fragment_582.3500 0.002
fragment_271.1500 0.002
fragment_163.5500 0.002
fragment_608.4500 0.002
loss_47.0500 0.002
fragment_632.6500 0.002
fragment_826.4500 0.001
fragment_348.0500 0.001
fragment_155.1500 0.001
loss_67.2500 0.001
fragment_85.9500 0.001
fragment_147.5500 0.001

Counts of Classyfire Substituent terms

Term name Count in motif Percentage in motif Percentage in experiment Absolute difference
Hydrocarbon derivative 32 100 100 0
Organooxygen compound 30 93.8 95.3 1.6
Organic nitrogen compound 20 62.5 55.6 6.9
Organonitrogen compound 19 59.4 54.1 5.3
Carbonyl group 14 43.8 44.0 0.3
Organopnictogen compound 11 34.4 45.2 10.9
Alcohol 7 21.9 14.7 7.2
Organoheterocyclic compound 7 21.9 13.3 8.6
Azacycle 6 18.8 22.6 3.9
Benzenoid 5 15.6 18.3 2.7
Secondary alcohol 3 9.4 7.7 1.7
Oxacycle 3 9.4 7.9 1.5
Carboxamide group 2 6.3 5.5 0.8
Oxane 1 3.1 1.9 1.2
O-glycosyl compound 1 3.1 1.2 1.9
Polyol 1 3.1 1.6 1.5
Amine 1 3.1 4.4 1.2
Aromatic heteropolycyclic compound 1 3.1 9.6 6.5
Heteroaromatic compound 1 3.1 5.8 2.6

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_5762 912.5220 912.5220 None 0.976 0.273
document_5808 950.2840 950.2840 None 0.919 0.117
document_5790 936.2680 936.2680 None 0.880 0.112
document_5710 873.4860 873.4860 None 0.851 0.202
document_3106 590.2440 590.2440 None 0.730 0.077
document_407 415.3020 415.3020 None 0.650 0.140
document_1135 437.2310 437.2310 None 0.613 0.197
document_406 415.3010 415.3010 None 0.612 0.096
document_1442 456.2330 456.2330 None 0.284 0.132
document_1137 437.2390 437.2390 None 0.264 0.119
document_5244 749.4440 749.4440 None 0.248 0.132
document_3792 653.5480 653.5480 None 0.179 0.076
document_3687 640.4900 640.4900 None 0.164 0.100
document_1797 480.2210 480.2210 None 0.153 0.076
document_3886 665.5090 665.5090 None 0.152 0.074
document_3984 678.1230 678.1230 None 0.151 0.069
document_5526 805.3360 805.3360 None 0.145 0.100
document_3332 612.3990 612.3990 None 0.102 0.076
document_162 405.2930 405.2930 None 0.100 0.073
document_1141 437.2310 437.2310 None 0.089 0.126
document_2465 527.2960 527.2960 None 0.084 0.111
document_1372 450.3200 450.3200 HMDB:HMDB00631-862 Deoxycholic acid glycine conjugate 0.081 0.104
document_725 427.0740 427.0740 None 0.074 0.119
document_1136 437.2320 437.2320 None 0.073 0.126
document_1832 482.1850 482.1850 None 0.069 0.113
document_2576 538.2520 538.2520 None 0.068 0.125
document_2184 501.3660 501.3660 None 0.068 0.072
document_1823 482.1820 482.1820 None 0.065 0.113
document_140 404.1340 404.1340 None 0.064 0.110
document_5207 744.4430 744.4430 None 0.063 0.100
document_757 429.0600 429.0600 None 0.056 0.114
document_1108 435.2120 435.2120 None 0.051 0.100

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.