Mass2Motif: motif_93

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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: 8 spectra, 8 molecules, 5 classes: 50.0% Paraconic acids, 12.5% Terpenoids : Triterpenes, 12.5% Cleavage Products of Depsides and Depsidones, 12.5% Chromanes and Chromones, 12.5% Depsidones

Short Annotation: 8 spectra, 8 molecules, 5 classes: 50.0% Paraconic acids, 12.5% Terpenoids : Triterpenes, 12.5% Cleavage Products of Depsides and Depsidones, 12.5% Chromanes and Chromones, 12.5% Depsidones

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 0.9631665237951749. 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_59.0350 0.181
loss_105.0450 0.132
loss_123.0550 0.096
loss_77.0450 0.078
loss_161.0650 0.049
loss_41.0250 0.044
loss_87.0350 0.043
fragment_253.0750 0.040
  • ccOC1OC(CCC1OC(C)=O)COC(C)=O (1)
loss_113.1050 0.040
fragment_164.0450 0.040
  • COc1ccc(c=O)c(c1)OC (1)
loss_151.0850 0.032
fragment_177.0750 0.015
loss_100.0750 0.015
loss_71.0950 0.013
fragment_206.0550 0.013
  • COc1cc(OC)c2c(=O)occc2c1 (1)
fragment_217.1950 0.010
  • CCC1C(C)CCC2CC(C)(C)CCC21C (1)
fragment_217.0850 0.010
  • CCCCCc1cc(ccc1C=O)OC=O (1)
loss_102.0750 0.009
fragment_175.0750 0.009
  • CCc1cc2ccccc2c(=O)o1 (1)
loss_132.0850 0.009
fragment_145.0650 0.009
fragment_259.1350 0.009
  • CCCCCccc1cc(cc(OC)c1c=O)OC (1)
loss_115.0850 0.009
fragment_162.0650 0.009
  • COc1ccc2coccc2c1 (1)
loss_60.0650 0.008
fragment_221.0450 0.007
  • Cc1c(cc2occc(=O)c2c1O)OCO (1)
loss_95.0550 0.006
loss_156.0850 0.006
fragment_121.0650 0.006
  • cc1cccc(c1)OC (1)
fragment_193.0550 0.005
  • Cc1c(O)cc2occc(=O)c2c1O (1)
fragment_247.0850 0.003
fragment_299.1250 0.002
fragment_127.0350 0.002
  • CC1OCCC(O)C1O (1)
loss_41.1250 0.002
fragment_187.0650 0.001
loss_31.8950 0.001
fragment_308.3550 0.001
loss_23.5250 0.001
fragment_316.7250 0.001

Counts of Classyfire Substituent terms

Term name Count in motif Percentage in motif Percentage in experiment Absolute difference
Hydrocarbon derivative 8 100 100 0
Organooxygen compound 8 100 95.7 4.3
Carbonyl group 4 50 20 30
Alcohol 2 25 15.8 9.2
Benzenoid 1 12.5 22.0 9.5
Organic nitrogen compound 1 12.5 18.5 6.0
Organoheterocyclic compound 1 12.5 15.0 2.5

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
LDB_580_Roccellin 499.1452 498.1379 None 0.977 0.057
LDB_78_"2,4-Di-O-methylolivetonide" 277.1483 276.1410 None 0.963 0.227
LDB_269_Neodihydroprotolichesterinic acid 368.2801 367.2728 None 0.328 0.661
LDB_208_Nephrosteranic acid 340.2488 339.2415 None 0.325 0.663
LDB_105_Nephromopsic acid 368.2801 367.2728 None 0.324 0.661
LDB_687_Colensoic acid 484.2335 483.2262 None 0.242 0.197
LDB_202_allo-Protolichesterinic acid 366.2644 365.2571 None 0.193 0.446
LDB_263_21-Hopen-3-on 484.4155 483.4082 None 0.069 0.140

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.