LDB_755_Porphyrilic acid -- LDB_755_Porphyrilic acid

Return to experiment 200421_LDB_NEG_07
Resolver: mzspec:MS2LDA:TASK-1282:accession:1706667

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_58 0.368 0.548 37 spectra, 10 molecules, 3 classes: 50.0% Quinones, 30.0% Depsidones, 20.0% Dibenzofuranes
motif_80 0.234 0.206 16 spectra, 9 molecules, 3 classes: 55.6% Quinones, 22.2% Dibenzofuranes, 22.2% Depsidones
motif_94 0.192 0.742 59 spectra, 30 molecules, 6 classes: 43.3% Depsidones, 30.0% Paraconic acids, 10.0% Quinones, 6.7% Dibenzofuranes, 6.7% Acids, 3.3% Cleavage Products of Depsides and Depsidones
motif_86 0.143 0.979 117 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_225.0550 1000.0 motif_58 (0.479)
motif_80 (0.520)
loss_87.9750 1000.0 motif_94 (0.991)
loss_43.9850 768.0 motif_86 (0.999)
fragment_269.0450 768.0 motif_58 (1.000)
fragment_197.0550 424.0 motif_80 (1.000)
loss_115.9750 424.0 motif_94 (0.090)
motif_58 (0.909)
fragment_226.0550 181.0 motif_80 (1.000)
loss_86.9750 181.0 motif_33 (0.999)
fragment_270.0450 148.0 motif_58 (1.000)
loss_42.9850 148.0 motif_14 (0.930)
motif_33 (0.070)
loss_114.9650 77.0 motif_58 (0.036)
motif_80 (0.961)
fragment_198.0650 77.0 motif_58 (0.995)
loss_130.9950 70.0 motif_58 (0.999)
fragment_182.0350 70.0 motif_58 (0.401)
motif_80 (0.599)
fragment_169.0650 12.0 motif_58 (0.140)
motif_80 (0.860)
loss_143.9650 12.0 motif_58 (0.996)
loss_171.9750 2.0 motif_94 (0.050)
motif_86 (0.015)
motif_58 (0.379)
motif_80 (0.533)
motif_33 (0.013)
fragment_141.0550 2.0 motif_94 (0.050)
motif_86 (0.015)
motif_58 (0.379)
motif_80 (0.533)
motif_33 (0.013)
fragment_115.0450 1.0 motif_94 (0.033)
motif_86 (0.013)
motif_58 (0.851)
motif_80 (0.083)
motif_33 (0.012)
loss_197.9850 1.0 motif_33 (0.023)
motif_58 (0.388)
motif_86 (0.027)
motif_94 (0.082)
motif_80 (0.464)
motif_14 (0.016)