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Seven Golden Rules for heuristic filtering of molecular formulas obtained by accurate mass spectrometry
BACKGROUND: Structure elucidation of unknown small molecules by mass spectrometry is a challenge despite advances in instrumentation. The first crucial step is to obtain correct elemental compositions. In order to automatically constrain the thousands of possible candidate structures, rules need to...
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| Main Authors: | , |
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| 格式: | Artigo |
| 語言: | Inglês |
| 出版: |
BioMed Central
2007
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| 主題: | |
| 在線閱讀: | https://ncbi.nlm.nih.gov/pmc/articles/PMC1851972/ https://ncbi.nlm.nih.gov/pubmed/17389044 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1186/1471-2105-8-105 |
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