LDB_82_"2a-Acetoxy-3,22-stictandione" -- LDB_82_"2a-Acetoxy-3,22-stictandione"

Return to experiment 200421_LDB_POS_04
Resolver: mzspec:MS2LDA:TASK-1281:accession:1706383

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_62 0.655 0.279 14 spectra, 6 molecules, 4 classes: 33.3% Terpenoids : Triterpenes, 33.3% Depsides (Didepsides), 16.7% Xanthones and bis-Xanthones, 16.7% Quinones
motif_48 0.241 0.252 14 spectra, 12 molecules, 5 classes: 50.0% Depsidones, 16.7% Terpenoids : Triterpenes, 16.7% Quinones, 8.3% Cleavage Products of Depsides and Depsidones, 8.3% Chromanes and Chromones
motif_17 0.104 0.322 15 spectra, 12 molecules, 5 classes: 33.3% Terpenoids : Triterpenes, 33.3% Depsidones, 16.7% Quinones, 8.3% Diphenylethers, 8.3% Pulvinic Acid Derivatives

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_60.0150 999.0 motif_48 (1.000)
fragment_439.3550 999.0 motif_62 (1.000)
loss_78.0350 435.0 motif_17 (1.000)
fragment_421.3350 435.0 motif_62 (1.000)
fragment_219.1850 82.0 motif_62 (0.999)
fragment_109.0950 81.0 motif_62 (0.999)
fragment_481.3750 78.0 motif_62 (0.999)
loss_17.9950 78.0 motif_62 (0.999)
fragment_133.1050 76.0 motif_62 (1.000)
fragment_215.1750 68.0 motif_62 (1.000)
fragment_121.0850 67.0 motif_62 (0.999)
fragment_107.0850 60.0 motif_62 (0.999)
fragment_187.1450 56.0 motif_62 (1.000)
fragment_119.0850 56.0 motif_62 (0.998)
fragment_205.1550 55.0 motif_62 (0.998)
  • CC1CCC2C(=O)C(C)(C)CCC2(C)C1
fragment_207.1750 54.0 motif_62 (0.998)
fragment_201.1650 54.0 motif_62 (1.000)
fragment_125.0950 53.0 motif_62 (1.000)
fragment_440.3550 41.0 motif_62 (0.998)
loss_59.0150 41.0 motif_62 (0.996)
fragment_313.2450 36.0 motif_62 (0.998)
loss_186.1250 36.0 motif_62 (0.999)
fragment_439.5250 21.0 motif_62 (0.996)
loss_59.8450 21.0 motif_62 (0.996)
loss_188.1750 20.0 motif_62 (0.996)
fragment_311.2050 20.0 motif_62 (0.996)
loss_77.0250 20.0 motif_62 (0.995)
fragment_422.3450 20.0 motif_62 (0.996)
loss_102.0050 18.0 motif_62 (0.995)
fragment_397.3650 18.0 motif_62 (0.995)
fragment_327.2950 13.0 motif_62 (0.993)
loss_172.0750 13.0 motif_62 (0.993)
fragment_315.2650 12.0 motif_62 (0.993)
loss_184.1050 12.0 motif_62 (0.993)
fragment_339.2450 9.0 motif_62 (0.990)
loss_160.1250 9.0 motif_62 (0.990)
loss_132.0450 6.0 motif_48 (1.000)
fragment_367.3250 6.0 motif_48 (0.012)
motif_62 (0.985)
fragment_617.0750 4.0 motif_48 (0.017)
motif_62 (0.978)
fragment_617.1250 2.0 motif_48 (0.033)
motif_62 (0.958)