LDB_55_Norepanorin -- LDB_55_Norepanorin

Return to experiment 200421_LDB_NEG_07
Resolver: mzspec:MS2LDA:TASK-1282:accession:1707310

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_51 0.969 0.635 29 spectra, 11 molecules, 4 classes: 72.7% Pulvinic Acid Derivatives, 9.1% Quinones, 9.1% Cleavage Products of Depsides and Depsidones, 9.1% Depsides (Tridepsides)

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_263.0750 1000.0 motif_51 (1.000)
  • O=C1OC(=Cc2ccccc2)C(O)=C1c1ccccc1
loss_157.0750 1000.0 motif_51 (1.000)
  • CC(C)CC(NC=O)C(=O)O
fragment_117.0350 247.0 motif_51 (1.000)
  • OC=Cc1ccccc1
fragment_191.0850 112.0 motif_51 (1.000)
loss_43.9850 75.0 motif_86 (1.000)
  • O=CO
fragment_376.1550 75.0 motif_51 (1.000)
  • CC(C)CCNC(=O)C(=C1OC(=O)C(=C1O)c1ccccc1)c1ccccc1
fragment_214.1250 55.0 motif_51 (1.000)
  • C=C(C(=O)NCCC(C)C)c1ccccc1
fragment_130.0850 32.0 motif_51 (1.000)
  • CC(C)CC(N)C(=O)O
fragment_234.0650 16.0 motif_51 (1.000)
  • OC(=Cc1ccccc1)C(O)=Cc1ccccc1
loss_186.0750 16.0 motif_51 (1.000)
  • C=O.CC(C)CC(NC=O)C(=O)O
fragment_58.5150 11.0 motif_51 (1.000)
fragment_332.1650 7.0 motif_51 (1.000)
  • CC(C)CCNC(=O)C(=CC(O)=Cc1ccccc1)c1ccccc1
loss_87.9750 7.0 motif_94 (0.999)
  • O=CO.O=CO
fragment_262.0650 6.0 motif_51 (1.000)
loss_158.0750 6.0 motif_51 (1.000)
fragment_157.0550 5.0 motif_51 (1.000)
  • CC=C(C(N)=O)c1ccccc1
fragment_261.0750 3.0 motif_51 (0.999)
  • NC(=O)C(=CC(O)=Cc1ccccc1)c1ccccc1
fragment_91.9750 3.0 motif_51 (0.960)
motif_94 (0.039)
loss_159.0650 3.0 motif_51 (0.999)
  • CC(C)CCC(=O)O.O=CO
fragment_101.0350 3.0 motif_51 (1.000)
  • C=Cc1ccccc1
loss_105.9850 2.0 motif_51 (1.000)
  • O.O=CO.O=CO
fragment_314.1550 2.0 motif_51 (1.000)
  • CC(C)CCNC(=O)C(=CC=Cc1ccccc1)c1ccccc1
fragment_51.8150 1.0 motif_51 (0.998)