Mass2Motif: motif_23

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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: 7 spectra, 7 molecules, 4 classes: 57.1% Depsides (Didepsides), 14.3% Pulvinic Acid Derivatives, 14.3% N-Containing Compounds, 14.3% Xanthones and bis-Xanthones

Short Annotation: 7 spectra, 7 molecules, 4 classes: 57.1% Depsides (Didepsides), 14.3% Pulvinic Acid Derivatives, 14.3% N-Containing Compounds, 14.3% Xanthones and bis-Xanthones

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 0.9312844804846556. 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_223.1050 0.070
fragment_179.1250 0.066
fragment_206.0950 0.059
  • CCCCCc1cccc(O)c1C(=O)O (2)
fragment_161.1150 0.053
fragment_137.1050 0.038
fragment_205.0850 0.038
  • CCCCCc1cccc(O)c1C(=O)O (2)
loss_180.9950 0.037
fragment_170.0350 0.037
fragment_423.2350 0.037
  • CCC(C)C(NC(=O)c1ccccc1)C(=O)NC(COC(=O)c1ccccc1)C(C)C (1)
loss_157.0650 0.037
fragment_205.0950 0.036
fragment_91.0250 0.035
fragment_121.0450 0.033
loss_152.9950 0.031
fragment_198.0350 0.031
fragment_205.1350 0.026
loss_125.0050 0.026
fragment_226.0250 0.026
  • O=c1c2ccccc2oc2cc(O)cc(O)c12 (1)
fragment_224.1150 0.026
fragment_135.1150 0.022
  • cccccCCCCC (3)
fragment_224.1050 0.013
loss_156.0550 0.011
fragment_355.2350 0.011
fragment_80.9150 0.010
loss_104.0050 0.009
fragment_339.2050 0.007
fragment_251.0950 0.006
loss_86.9750 0.006
  • O.O.cC(=O)O (1)
fragment_105.0350 0.005
loss_97.0050 0.005
fragment_254.0250 0.005
  • Cc1cc(O)cc2oc3cc(O)cc(O)c3c(=O)c12 (1)
fragment_142.0450 0.005
loss_137.9750 0.004
fragment_297.1550 0.004
fragment_213.0550 0.004
fragment_81.0350 0.004
loss_45.9150 0.004
fragment_423.3250 0.004
loss_160.0350 0.003
fragment_543.1350 0.003
fragment_370.2150 0.003
  • ccc(ccCCCCC)OC(=O)c1ccc(cc1CCC(=O)CC)OC (1)
loss_182.0050 0.003
loss_123.9950 0.003
fragment_169.0250 0.003
fragment_227.0350 0.003
loss_156.9150 0.002
fragment_77.0450 0.002
fragment_353.1850 0.002
fragment_557.1150 0.002
loss_45.7950 0.002
fragment_423.4350 0.002
loss_81.9850 0.002
fragment_356.2350 0.002
fragment_282.1350 0.002
fragment_340.2050 0.002
loss_102.9950 0.002
loss_180.9350 0.001
fragment_170.0850 0.001
fragment_121.2250 0.001
fragment_544.1450 0.001
fragment_369.2150 0.001
loss_161.0750 0.001
fragment_423.5450 0.001
fragment_283.1450 0.001
loss_160.0650 0.001

Counts of Classyfire Substituent terms

Term name Count in motif Percentage in motif Percentage in experiment Absolute difference
Hydrocarbon derivative 7 100 100 0
Organooxygen compound 7 100 91.8 8.2
Oxacycle 4 57.1 13.8 43.3
Carbonyl group 3 42.9 20.5 22.4
Organoheterocyclic compound 3 42.9 14.6 28.3
Benzenoid 3 42.9 27.2 15.7
Alcohol 2 28.6 12.0 16.6
Carboxylic acid ester 2 28.6 3.3 25.3
Secondary alcohol 2 28.6 6.1 22.4
Organic nitrogen compound 2 28.6 31.7 3.2
Organopnictogen compound 2 28.6 24.8 3.8
Organonitrogen compound 2 28.6 30.9 2.3
Acetal 1 14.3 1.1 13.2
Azacycle 1 14.3 14.0 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
LDB_552_Miriquidic acid 457.1862 458.1935 None 0.995 0.442
LDB_496_2-Chloro-6-O-methylnorlichexanthone 351.0272 352.0345 None 0.991 0.236
LDB_460_Perlatolic acid 443.2070 444.2143 None 0.965 0.490
LDB_388_Isoarthonin 469.2339 470.2412 None 0.713 0.086
LDB_769_Norepanorin 420.1332 421.1405 None 0.341 0.050
LDB_621_Glomelliferic acid 457.1790 458.1863 None 0.115 0.110
LDB_485_Anziaic acid 429.1913 430.1986 None 0.094 0.110

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.