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In those cases in which sulfur dehydrogenation fails to yield information about the carbon skeleton of a sesquiterpene, a systematic degradation by oxidation to compounds of known structure is necessary.
Additional file 2 has 43 JWH compounds of known toxicologic importance, along with 32 associated metabolites.
The fingerprints are again clustered: some clusters are a mixture of compounds of known and unknown activity, some contain only 'known' compounds, and other only 'unknowns'unknowns
Most published work so far, on organic compounds of low volatility and on particulate organic matter has been focused on a few classes of compounds of known toxicity.
The validation test results from compounds of known genotoxic potential were used to set appropriate criteria to classify alkaline elution results for genotoxicity.
In the second part of the analysis, we looked more closely at a shortlist of compounds of known low odour threshold, as these have greatest influence on rice quality and consumer preference.
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As an alternative strategy for compound annotation of known compounds in silico fragmentation software tools have been developed and are used to identify MS/MS spectra when the reference MS/MS spectrum is not available.
It is more likely that the maintainer of a collection will know whether some or all of the compounds are of known chirality.
The library contains ∼460 biologically active compounds consisting of known drugs, protein inhibitors, metabolites, substrates, carbohydrates, fatty acids, hormones, and cofactors.
Furthermore, SAR and cluster analysis identified known (e.g., quinoline compounds) and novel compounds, where the identification of known compounds confirms the use of this approach as a tool for prioritizing compounds in follow-up studies.
A 76-compound library of known nuclear hormone receptor ligands was screened for additional activators of xlVDR, zfVDR, and lampVDR (Additional file 3).
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