LDB_240_Rangiformic acid -- LDB_240_Rangiformic acid

Return to experiment 200421_LDB_POS_04
Resolver: mzspec:MS2LDA:TASK-1281:accession:1706137

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 0.889 0.797 7 spectra, 3 molecules, 1 class: 100.0% Acids
motif_79 0.064 0.771 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

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_81.0750 1000.0 motif_43 (1.000)
  • CCCCCC
fragment_69.0750 982.0 motif_43 (1.000)
  • CCCCC
fragment_133.1050 877.0 motif_43 (1.000)
fragment_355.2450 790.0 motif_43 (1.000)
  • CCCCCCCCCCCCCCC(C=O)C(CC(=O)O)C(=O)O
loss_32.0250 790.0 motif_79 (1.000)
  • CO
fragment_119.0850 777.0 motif_43 (1.000)
fragment_83.0850 750.0 motif_43 (1.000)
  • CCCCCC
fragment_97.1050 733.0 motif_43 (1.000)
  • CCCCCCC
loss_18.0150 699.0 motif_53 (1.000)
  • O
fragment_369.2650 699.0 motif_43 (1.000)
  • CCCCCCCCCCCCCCC(C(=O)OC)C(C=O)CC(=O)O
loss_142.0450 637.0 motif_43 (1.000)
fragment_245.2250 637.0 motif_43 (1.000)
fragment_57.0750 543.0 motif_43 (1.000)
  • CCCC
fragment_147.1150 453.0 motif_43 (1.000)
loss_96.0450 445.0 motif_43 (1.000)
  • CO.O.O=CO
fragment_291.2350 445.0 motif_43 (1.000)
  • CCCCCCCCCCCCCCC(C=O)C(C)C=O
fragment_165.0950 371.0 motif_43 (1.000)
  • CCCCCCC(C=O)CC=O
fragment_161.1350 336.0 motif_43 (1.000)
loss_50.0350 272.0 motif_79 (0.628)
motif_43 (0.372)
  • CO.O
fragment_337.2350 272.0 motif_43 (1.000)
  • CCCCCCCCCCCCCCC(C=O)C(C=O)CC(=O)O
fragment_179.1050 272.0 motif_43 (1.000)
  • CCCCCCCC(C=O)CC=O
fragment_319.2250 269.0 motif_43 (1.000)
  • CCCCCCCCCCCCCCC(C=O)C(C=O)CC=O
loss_68.0450 269.0 motif_43 (1.000)
  • CO.O.O
fragment_301.2150 242.0 motif_43 (1.000)
loss_86.0550 242.0 motif_43 (1.000)
loss_132.0650 217.0 motif_43 (1.000)
fragment_255.2150 217.0 motif_43 (1.000)
fragment_231.2150 197.0 motif_43 (1.000)
loss_156.0650 197.0 motif_43 (1.000)
loss_124.0350 173.0 motif_43 (1.000)
  • COC=O.O.O=CO
fragment_263.2350 173.0 motif_43 (1.000)
  • CCCCCCCCCCCCCCCC(C)C=O
fragment_405.5850 2.0 motif_43 (0.996)