LDB_70_Rugulosin -- LDB_70_Rugulosin

Return to experiment 200421_LDB_NEG_07
Resolver: mzspec:MS2LDA:TASK-1282:accession:1707089

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 0.561 0.513 37 spectra, 10 molecules, 3 classes: 50.0% Quinones, 30.0% Depsidones, 20.0% Dibenzofuranes
motif_80 0.439 0.139 16 spectra, 9 molecules, 3 classes: 55.6% Quinones, 22.2% Dibenzofuranes, 22.2% Depsidones

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_563.0950 1000.0 motif_80 (1.000)
fragment_269.0450 652.0 motif_58 (1.000)
fragment_271.0650 224.0 motif_58 (1.000)
fragment_270.0550 185.0 motif_58 (1.000)
fragment_291.0250 158.0 motif_58 (1.000)
fragment_253.0550 98.0 motif_58 (1.000)
fragment_254.0550 65.0 motif_58 (0.998)
fragment_225.0550 60.0 motif_58 (0.428)
motif_80 (0.572)
fragment_201.0550 19.0 motif_58 (0.998)
fragment_457.0750 14.0 motif_58 (0.025)
motif_80 (0.975)
fragment_309.0350 12.0 motif_58 (0.029)
motif_80 (0.971)
fragment_91.9750 12.0 motif_58 (0.997)
fragment_519.1050 11.0 motif_58 (0.994)
fragment_493.0950 9.0 motif_58 (0.038)
motif_80 (0.962)
  • Cc1cc(O)c2C(O)=C3C(=O)C4CC5C6C(O)C(C(=O)C7=Cc8c(O)cccc8C(=O)C746)C35C(=O)c2c1
fragment_496.9250 7.0 motif_58 (0.048)
motif_80 (0.952)
fragment_475.0850 7.0 motif_58 (0.976)
motif_80 (0.024)
  • Cc1cc(O)c2C(O)=C3C(=O)C4CC5C6CC(C(=O)C7=Cc8c(O)cccc8C(=O)C746)C35C(=O)c2c1
fragment_727.4250 7.0 motif_58 (0.048)
motif_80 (0.952)
fragment_535.7250 7.0 motif_58 (0.048)
motif_80 (0.952)
fragment_882.6550 6.0 motif_58 (0.056)
motif_80 (0.944)
fragment_483.0850 6.0 motif_58 (0.983)
motif_80 (0.017)
fragment_125.6850 6.0 motif_58 (0.056)
motif_80 (0.944)
fragment_81.0150 6.0 motif_58 (0.056)
motif_80 (0.944)
fragment_426.7550 6.0 motif_58 (0.056)
motif_80 (0.944)
fragment_360.6150 5.0 motif_58 (0.066)
motif_80 (0.934)
fragment_435.0850 5.0 motif_58 (0.998)
fragment_403.9750 5.0 motif_58 (0.066)
motif_80 (0.934)
fragment_89.8650 5.0 motif_58 (0.066)
motif_80 (0.934)
fragment_101.9650 5.0 motif_58 (0.066)
motif_80 (0.934)
fragment_127.1550 5.0 motif_58 (0.066)
motif_80 (0.934)
fragment_345.1550 4.0 motif_58 (0.080)
motif_80 (0.920)
fragment_375.9850 4.0 motif_58 (0.080)
motif_80 (0.920)
fragment_549.5350 4.0 motif_58 (0.080)
motif_80 (0.920)
fragment_744.6150 4.0 motif_58 (0.080)
motif_80 (0.920)
fragment_554.8550 3.0 motif_58 (0.103)
motif_80 (0.897)
fragment_849.6150 3.0 motif_58 (0.103)
motif_80 (0.897)