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Structure Elucidation of Unknown Metabolites in Metabolomics by Combined NMR and MS/MS Prediction
We introduce a cheminformatics approach that combines highly selective and orthogonal structure elucidation parameters; accurate mass, MS/MS (MS(2)), and NMR into a single analysis platform to accurately identify unknown metabolites in untargeted studies. The approach starts with an unknown LC-MS fe...
Gorde:
| Argitaratua izan da: | Metabolites |
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| Egile Nagusiak: | , , , , , |
| Formatua: | Artigo |
| Hizkuntza: | Inglês |
| Argitaratua: |
MDPI
2018
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| Gaiak: | |
| Sarrera elektronikoa: | https://ncbi.nlm.nih.gov/pmc/articles/PMC5875998/ https://ncbi.nlm.nih.gov/pubmed/29342073 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.3390/metabo8010008 |
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