LDB_617_Neodihydroprotolichesterinic acid -- LDB_617_Neodihydroprotolichesterinic acid

Return to experiment 200421_LDB_POS_04
Resolver: mzspec:MS2LDA:TASK-1281:accession:1706145

Associated Mass2Motifs

The following table lists all Mass2Motifs that explain features extracted from this fragmentation spectra -- at the threshold specified in the experiment option.

Motif Probability Overlap Score Annotation
motif_67 0.507 0.651 16 spectra, 6 molecules, 4 classes: 50.0% Paraconic acids, 16.7% Terpenoids : Diterpenes, 16.7% Acids, 16.7% Terpenoids : Triterpenes
motif_85 0.249 0.772 29 spectra, 19 molecules, 6 classes: 68.4% Paraconic acids, 10.5% Depsidones, 5.3% Acids, 5.3% Cleavage Products of Depsides and Depsidones, 5.3% Depsides (Didepsides), 5.3% Quinones
motif_53 0.232 0.980 117 spectra, 76 molecules, 13 classes: 18.4% Paraconic acids, 17.1% Depsidones, 15.8% Quinones, 14.5% Cleavage Products of Depsides and Depsidones, 10.5% Terpenoids : Triterpenes, 6.6% Dibenzofuranes, 5.3% Acids, 3.9% Depsides (Didepsides), 2.6% Xanthones

Fragmentation Spectrum Plot

The fragmentation spectrum of this molecule is plotted below, alongside associated Mass2Motifs. Features (fragments and losses) explained by the associated Mass2Motif are coloured in red, while the parent ion is coloured in blue.

Molecule Plot

Features

The following table lists all features extracted from this fragmentation spectra -- alongside Mass2Motifs that explain these features at the threshold specified in the experiment option. The column MAGMa Substructure Annotation shows substructures annotations from MAGMa. Hovering over each MAGMa substructure shows the plots of 10 random documents containing the substructure.

Name Intensity Mass2Motif (prob) MAGMa Substructure Annotation
loss_18.0150 1000.0 motif_53 (1.000)
fragment_309.2450 1000.0 motif_67 (1.000)
loss_36.0250 459.0 motif_53 (0.044)
motif_85 (0.956)
  • O.O
fragment_291.2350 459.0 motif_67 (1.000)
  • CC(C=O)C(C=O)CCCCCCCCCCC(C)(C)C
fragment_263.2350 249.0 motif_67 (1.000)
  • CC(C=O)CCCCCCCCCCCC(C)(C)C
loss_64.0150 249.0 motif_85 (1.000)
  • O.O=CO
loss_82.0250 114.0 motif_85 (1.000)
fragment_245.2250 114.0 motif_67 (1.000)
loss_46.0050 76.0 motif_85 (0.297)
motif_65 (0.703)
  • O=CO
fragment_281.2450 76.0 motif_67 (1.000)
  • CC1CC(CCCCCCCCCC(C)(C)C)OC1=O
fragment_95.0850 58.0 motif_67 (0.999)
fragment_217.1950 52.0 motif_67 (1.000)
loss_110.0550 52.0 motif_85 (1.000)
fragment_81.0750 47.0 motif_67 (1.000)
  • CCCCCC
fragment_207.1950 40.0 motif_67 (0.972)
motif_85 (0.026)
loss_120.0650 40.0 motif_67 (0.972)
motif_85 (0.026)
loss_180.1350 35.0 motif_85 (1.000)
fragment_147.1150 35.0 motif_67 (1.000)
fragment_273.2250 33.0 motif_67 (1.000)
loss_54.0350 33.0 motif_85 (1.000)
fragment_91.0550 32.0 motif_53 (0.496)
motif_85 (0.501)
fragment_133.1050 31.0 motif_67 (1.000)
fragment_105.0750 31.0 motif_85 (0.993)
loss_194.1550 31.0 motif_85 (1.000)
loss_148.1450 24.0 motif_85 (0.999)
fragment_179.1050 24.0 motif_85 (0.998)
loss_166.1250 22.0 motif_85 (0.997)
fragment_161.1250 22.0 motif_67 (0.951)
motif_85 (0.046)
fragment_193.1250 18.0 motif_85 (0.993)
  • CCCCCCC1OC(=O)C(C)C1C
loss_134.1350 18.0 motif_67 (0.866)
motif_85 (0.131)
  • CCCC(C)(C)C.O.O