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Applying in-silico retention index and mass spectra matching for identification of unknown metabolites in accurate mass GC-TOF mass spectrometry
One of the major obstacles in metabolomics is the identification of unknown metabolites. We tested constraints for re-identifying the correct structures of 29 known metabolite peaks from GCT premier accurate mass chemical ionization GC-TOF mass spectrometry data without any use of mass spectral libr...
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| Autori principali: | , , , , |
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| Natura: | Artigo |
| Lingua: | Inglês |
| Pubblicazione: |
2011
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| Soggetti: | |
| Accesso online: | https://ncbi.nlm.nih.gov/pmc/articles/PMC3146571/ https://ncbi.nlm.nih.gov/pubmed/21678983 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/ac2006137 |
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