Seven Golden Rules for heuristic filtering of molecular formulas obtained by accurate mass spectrometry [electronic resource]
Background: Structure elucidation of unknown small molecules by mass spectrometry is achallenge despite advances in instrumentation. The first crucial step is to obtain correct elementalcompositions. In order to automatically constrain the thousands of possible candidate structures,rules need to be...
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| Format: | Electronic eBook |
| Language: | English |
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Washington, D.C. : Oak Ridge, Tenn. :
United States. Department of Energy. Office of Science ; Distributed by the Office of Scientific and Technical Information, U.S. Department of Energy,
2007.
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