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Mass Spectral Library Quality Assurance by Inter-Library Comparison

A method to discover and correct errors in mass spectral libraries is described. Comparing across a set of highly curated reference libraries compounds that have the same chemical structure quickly identifies entries that are outliers. In cases where three or more entries for the same compound are c...

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書目詳細資料
發表在:J Am Soc Mass Spectrom
Main Authors: Wallace, W.E., Ji, W., Tchekhovskoi, D.V., Phinney, K.W., Stein, S.E.
格式: Artigo
語言:Inglês
出版: 2017
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在線閱讀:https://ncbi.nlm.nih.gov/pmc/articles/PMC5439505/
https://ncbi.nlm.nih.gov/pubmed/28127680
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1007/s13361-016-1589-4
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