LDB_565_5-Chlorodivaricatinic acid -- LDB_565_5-Chlorodivaricatinic acid

Return to experiment 200421_LDB_NEG_07
Resolver: mzspec:MS2LDA:TASK-1282:accession:1706689

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_19 0.695 0.300 12 spectra, 5 molecules, 5 classes: 20.0% Benzyldepsides, 20.0% Quinones, 20.0% Cleavage Products of Depsides and Depsidones, 20.0% Acids, 20.0% Depsidones
motif_90 0.192 0.632 38 spectra, 30 molecules, 9 classes: 33.3% Cleavage Products of Depsides and Depsidones, 16.7% Quinones, 16.7% Paraconic acids, 10.0% Dibenzofuranes, 6.7% Chromanes and Chromones, 6.7% Depsidones, 3.3% Depsones, 3.3% Pulvinic Acid Derivatives, 3.3% Xanthon
motif_12 0.113 0.556 28 spectra, 17 molecules, 7 classes: 29.4% Cleavage Products of Depsides and Depsidones, 23.5% Depsidones, 11.8% Quinones, 11.8% Dibenzofuranes, 11.8% Paraconic acids, 5.9% Pulvinic Acid Derivatives, 5.9% Xanthones and bis-Xanthones

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_199.0550 1000.0 motif_19 (1.000)
  • CCCc1cc(O)cc(OC)c1Cl
loss_43.9950 1000.0 motif_90 (1.000)
  • O=CO
fragment_184.0250 748.0 motif_19 (1.000)
  • CCCc1cc(O)cc(O)c1Cl
loss_59.0150 748.0 motif_12 (0.783)
motif_19 (0.217)
  • C.O=CO
loss_87.0450 596.0 motif_19 (0.996)
  • CCC.O=CO
fragment_155.9950 596.0 motif_19 (1.000)
  • COc1cc(O)ccc1Cl
loss_43.9050 126.0 motif_19 (1.000)
fragment_199.1350 126.0 motif_19 (1.000)
loss_58.9150 59.0 motif_19 (0.999)
fragment_184.1350 59.0 motif_19 (0.999)
fragment_509.0750 38.0 motif_19 (0.999)
fragment_511.0750 27.0 motif_19 (0.998)
fragment_540.0050 13.0 motif_19 (0.996)
fragment_542.0050 8.0 motif_19 (0.994)
fragment_510.0750 8.0 motif_19 (0.994)
fragment_789.0550 7.0 motif_19 (0.993)
fragment_512.0750 6.0 motif_19 (0.992)
loss_150.0050 6.0 motif_19 (0.992)
fragment_93.0350 6.0 motif_12 (0.012)
motif_19 (0.983)
fragment_787.0650 5.0 motif_19 (0.990)
fragment_791.0650 4.0 motif_19 (0.988)
fragment_449.1050 4.0 motif_19 (0.988)
fragment_777.1050 3.0 motif_19 (0.984)
fragment_790.0650 3.0 motif_19 (0.984)
fragment_441.0850 3.0 motif_19 (0.984)
fragment_775.1050 3.0 motif_19 (0.984)
fragment_707.1250 2.0 motif_12 (0.011)
motif_19 (0.977)
motif_90 (0.012)
fragment_709.1250 2.0 motif_12 (0.011)
motif_19 (0.977)
motif_90 (0.012)
fragment_342.9650 1.0 motif_12 (0.021)
motif_19 (0.956)
motif_90 (0.023)
fragment_451.1050 1.0 motif_12 (0.021)
motif_19 (0.956)
motif_90 (0.023)
fragment_443.0850 1.0 motif_12 (0.021)
motif_19 (0.956)
motif_90 (0.023)
fragment_405.1150 1.0 motif_12 (0.021)
motif_19 (0.956)
motif_90 (0.023)