LDB_444_Isorangiformic acid -- LDB_444_Isorangiformic acid

Return to experiment 200421_LDB_POS_04
Resolver: mzspec:MS2LDA:TASK-1281:accession:1705928

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_43 0.731 0.719 7 spectra, 3 molecules, 1 class: 100.0% Acids
motif_49 0.098 0.397 38 spectra, 16 molecules, 3 classes: 75.0% Paraconic acids, 18.8% Acids, 6.2% Terpenoids : Triterpenes
motif_79 0.090 0.776 49 spectra, 32 molecules, 7 classes: 50.0% Depsidones, 12.5% Quinones, 12.5% Pulvinic Acid Derivatives, 9.4% Dibenzofuranes, 6.2% Acids, 6.2% Cleavage Products of Depsides and Depsidones, 3.1% Chromanes and Chromones
motif_53 0.065 0.975 117 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
fragment_355.2450 1000.0 motif_43 (1.000)
  • CCCCCCCCCCCCCCC(C(=O)O)C(C=O)CC(=O)O
loss_32.0250 1000.0 motif_79 (1.000)
  • CO
loss_18.0150 861.0 motif_53 (0.996)
  • O
fragment_369.2650 861.0 motif_43 (1.000)
  • CCCCCCCCCCCCCCC(C(=O)O)C(CC=O)C(=O)OC
fragment_81.0750 775.0 motif_49 (0.377)
motif_43 (0.623)
  • CCCCCC
fragment_95.0850 685.0 motif_49 (0.624)
motif_43 (0.376)
  • CCCCCCC
fragment_69.0750 666.0 motif_49 (0.131)
motif_43 (0.869)
  • CCCCC
fragment_133.1050 634.0 motif_43 (1.000)
fragment_83.0850 604.0 motif_49 (0.134)
motif_43 (0.866)
  • CCCCCC
fragment_119.0850 565.0 motif_43 (1.000)
loss_142.0450 442.0 motif_43 (1.000)
fragment_245.2250 442.0 motif_43 (1.000)
fragment_67.0550 412.0 motif_49 (0.999)
  • CCCCC
loss_96.0450 339.0 motif_43 (1.000)
  • CO.O.O=CO
fragment_291.2350 339.0 motif_43 (1.000)
  • CCCCCCCCCCCCCCC(C=O)C(C)C=O
fragment_319.2250 330.0 motif_43 (1.000)
  • CCCCCCCCCCCCCCC(C=O)C(C=O)CC=O
loss_68.0450 330.0 motif_43 (1.000)
  • CO.O.O
fragment_147.1150 295.0 motif_43 (1.000)
loss_50.0350 283.0 motif_17 (0.081)
motif_79 (0.683)
motif_43 (0.237)
  • CO.O
fragment_337.2350 283.0 motif_43 (1.000)
  • CCCCCCCCCCCCCCC(C=O)C(C=O)CC(=O)O
fragment_165.0950 275.0 motif_43 (1.000)
  • CCCCCCC(C=O)CC=O
fragment_301.2150 209.0 motif_43 (1.000)
loss_86.0550 209.0 motif_43 (1.000)
fragment_179.1050 201.0 motif_43 (1.000)
  • CCCCCCCC(C=O)CC=O
loss_78.0350 187.0 motif_17 (0.999)
  • COC=O.O
fragment_309.2450 187.0 motif_43 (1.000)
  • CCCCCCCCCCCCCCC(CCC=O)C(=O)O
loss_124.0350 159.0 motif_43 (0.993)
  • COC=O.O.O=CO
fragment_263.2350 159.0 motif_43 (1.000)
  • CCCCCCCCCCCCCCC(C=O)CC
fragment_231.2150 146.0 motif_43 (1.000)
loss_156.0650 146.0 motif_43 (1.000)
loss_168.0650 122.0 motif_43 (1.000)
fragment_219.2150 122.0 motif_43 (1.000)