LDB_435_Norepanorin -- LDB_435_Norepanorin

Return to experiment 200421_LDB_NEG_07
Resolver: mzspec:MS2LDA:TASK-1282:accession:1707079

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 0.894 0.533 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)
motif_86 0.066 0.981 117 spectra, 64 molecules, 11 classes: 25.0% Paraconic acids, 23.4% Depsidones, 15.6% Cleavage Products of Depsides and Depsidones, 9.4% Quinones, 6.2% Dibenzofuranes, 6.2% Acids, 4.7% Pulvinic Acid Derivatives, 3.1% Diphenylethers, 3.1% Xanthones and bis-

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)
loss_157.0750 1000.0 motif_51 (0.997)
fragment_264.0850 485.0 motif_51 (1.000)
loss_156.0650 485.0 motif_51 (1.000)
fragment_117.0450 439.0 motif_51 (1.000)
loss_43.9850 363.0 motif_86 (1.000)
  • O=CO
fragment_376.1550 363.0 motif_51 (1.000)
  • CC(C)CCNC(=O)C(=C1OC(=O)C(=C1O)c1ccccc1)c1ccccc1
fragment_191.0850 177.0 motif_51 (1.000)
loss_157.0050 129.0 motif_51 (1.000)
fragment_263.1450 129.0 motif_51 (1.000)
loss_42.9850 110.0 motif_14 (0.987)
motif_33 (0.013)
fragment_377.1550 110.0 motif_51 (1.000)
fragment_214.1250 92.0 motif_51 (1.000)
fragment_332.1650 82.0 motif_51 (1.000)
loss_87.9750 82.0 motif_94 (0.984)
motif_33 (0.016)
fragment_118.0350 76.0 motif_51 (1.000)
fragment_263.2450 65.0 motif_51 (1.000)
loss_156.9050 65.0 motif_51 (1.000)
fragment_130.0850 49.0 motif_51 (1.000)
fragment_192.0850 39.0 motif_51 (1.000)
loss_89.9950 22.0 motif_51 (0.999)
loss_86.9750 22.0 motif_33 (0.995)
fragment_330.1550 22.0 motif_51 (0.999)
fragment_333.1650 22.0 motif_51 (1.000)
loss_105.9850 12.0 motif_51 (0.999)
  • O.O=CO.O=CO
fragment_314.1550 12.0 motif_51 (0.999)
  • CC(C)CCNC(=O)C(=CC=Cc1ccccc1)c1ccccc1
fragment_101.0450 11.0 motif_51 (1.000)
fragment_157.0550 10.0 motif_51 (1.000)
fragment_520.0750 9.0 motif_51 (0.999)
fragment_118.0850 4.0 motif_51 (0.997)
fragment_521.0750 3.0 motif_51 (0.996)
fragment_519.0650 1.0 motif_51 (0.989)
fragment_510.1150 1.0 motif_51 (0.989)
fragment_588.0650 1.0 motif_51 (0.989)