LDB_104_Norrhizocarpic acid -- LDB_104_Norrhizocarpic acid

Return to experiment 200421_LDB_NEG_07
Resolver: mzspec:MS2LDA:TASK-1282:accession:1707387

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 1.000 0.606 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
fragment_476.1150 432.0 motif_51 (1.000)
fragment_117.0350 186.0 motif_51 (1.000)
  • OC=Cc1ccccc1
fragment_247.0750 150.0 motif_51 (1.000)
  • O=C1OC(=Cc2ccccc2)C=C1c1ccccc1
fragment_203.0850 92.0 motif_51 (1.000)
  • C(C=Cc1ccccc1)=Cc1ccccc1
fragment_296.0750 87.0 motif_51 (1.000)
  • O=C(C=C1C=C(CO1)c1ccccc1)NCCc1ccccc1
fragment_118.0650 79.0 motif_51 (1.000)
fragment_454.1350 77.0 motif_51 (1.000)
  • O=C(NC(Cc1ccccc1)C(=O)O)C(=C1OC(=O)C(c2ccccc2)=C1O)c1ccccc1
fragment_191.0850 59.0 motif_51 (1.000)
fragment_410.1450 52.0 motif_51 (1.000)
  • O=C(NCCc1ccccc1)C(=C1OC(=O)C(=C1O)c1ccccc1)c1ccccc1
fragment_101.0350 43.0 motif_51 (1.000)
fragment_340.0650 42.0 motif_51 (1.000)
  • O=CC(Cc1ccccc1)NC(=O)C=C1C=C(C(=O)O1)c1ccccc1
fragment_388.1350 40.0 motif_51 (1.000)
  • O=CC(Cc1ccccc1)NCC(=C1C=C(CO1)c1ccccc1)c1ccccc1
fragment_65.9950 36.0 motif_51 (1.000)
fragment_275.0950 35.0 motif_51 (1.000)
  • C=C(C(=O)NC(C=O)Cc1ccccc1)c1ccccc1
fragment_274.0850 32.0 motif_51 (1.000)
  • NCC(=C1C=C(C(=O)O1)c1ccccc1)c1ccccc1
fragment_285.0550 31.0 motif_51 (1.000)
fragment_150.0350 25.0 motif_51 (1.000)
fragment_338.1350 21.0 motif_51 (1.000)
fragment_476.0450 16.0 motif_51 (1.000)
fragment_361.1250 15.0 motif_51 (1.000)
fragment_164.0750 15.0 motif_51 (1.000)
  • NC(Cc1ccccc1)C(=O)O
fragment_366.1550 14.0 motif_51 (1.000)
fragment_458.1050 12.0 motif_51 (1.000)
fragment_91.0550 10.0 motif_51 (1.000)
loss_126.7250 9.0 motif_51 (1.000)
fragment_804.5250 9.0 motif_51 (1.000)
loss_180.2950 8.0 motif_51 (1.000)
fragment_706.5650 8.0 motif_51 (1.000)
fragment_581.5950 8.0 motif_51 (1.000)
fragment_84.2650 8.0 motif_51 (1.000)
fragment_750.9550 8.0 motif_51 (1.000)
fragment_726.1650 7.0 motif_51 (1.000)
fragment_823.6850 7.0 motif_51 (1.000)
loss_107.5650 7.0 motif_51 (1.000)
loss_34.4150 7.0 motif_51 (1.000)
fragment_471.6550 7.0 motif_51 (1.000)
fragment_896.8250 7.0 motif_51 (1.000)
fragment_630.6950 3.0 motif_51 (1.000)