LDB_364_Rangiformic acid -- LDB_364_Rangiformic acid

Return to experiment 200421_LDB_POS_04
Resolver: mzspec:MS2LDA:TASK-1281:accession:1706155

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 0.939 0.746 7 spectra, 3 molecules, 1 class: 100.0% Acids
motif_49 0.061 0.327 38 spectra, 16 molecules, 3 classes: 75.0% Paraconic acids, 18.8% Acids, 6.2% Terpenoids : Triterpenes

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_35.0350 1000.0 motif_43 (1.000)
fragment_369.2650 1000.0 motif_43 (1.000)
  • CCCCCCCCCCCCCCC(C(=O)OC)C(C=O)CC(=O)O
fragment_355.2450 294.0 motif_43 (1.000)
  • CCCCCCCCCCCCCCC(C=O)C(CC(=O)O)C(=O)O
loss_49.0550 294.0 motif_43 (1.000)
fragment_69.0750 252.0 motif_49 (0.067)
motif_43 (0.933)
  • CCCCC
fragment_133.1050 250.0 motif_43 (1.000)
fragment_97.1050 249.0 motif_43 (1.000)
  • CCCCCCC
fragment_81.0750 229.0 motif_49 (0.226)
motif_43 (0.774)
  • CCCCCC
fragment_95.0850 215.0 motif_49 (0.444)
motif_43 (0.556)
  • CCCCCCC
loss_113.0650 211.0 motif_43 (1.000)
fragment_291.2350 211.0 motif_43 (1.000)
  • CCCCCCCCCCCCCCC(C=O)C(C)C=O
loss_159.0750 200.0 motif_43 (1.000)
fragment_245.2250 200.0 motif_43 (1.000)
fragment_67.0550 192.0 motif_49 (0.998)
  • CCCCC
fragment_83.0850 186.0 motif_49 (0.069)
motif_43 (0.931)
  • CCCCCC
fragment_119.0850 174.0 motif_43 (1.000)
loss_103.0850 159.0 motif_43 (1.000)
fragment_301.2150 159.0 motif_43 (1.000)
loss_95.0550 126.0 motif_43 (1.000)
fragment_309.2450 126.0 motif_43 (1.000)
  • CCCCCCCCCCCCCCC(CC=O)C(=O)OC
fragment_147.1150 124.0 motif_43 (1.000)
fragment_319.2250 113.0 motif_43 (1.000)
  • CCCCCCCCCCCCCCC(C=O)C(C=O)CC=O
loss_85.0750 113.0 motif_43 (1.000)
fragment_165.0950 109.0 motif_43 (1.000)
  • CCCCCCC(C=O)CC=O
loss_141.0650 85.0 motif_43 (1.000)
fragment_263.2350 85.0 motif_43 (1.000)
  • CCCCCCCCCCCCCCCC(C)C=O
loss_173.0850 70.0 motif_43 (1.000)
fragment_231.2150 70.0 motif_43 (1.000)
fragment_193.1250 68.0 motif_43 (1.000)
  • CCCCCCCCC(C=O)CC=O
loss_183.0750 35.0 motif_43 (1.000)
fragment_221.2250 35.0 motif_49 (0.982)
motif_43 (0.018)
  • CCCCCCCCCCCCCCCC