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When identifying compounds using mass spectrometry, you no longer have to work backwards from the answer. Using the new Rational Numbers Excel Add-In described in this book, the mathematical and graphical powers of Excel can now be applied to analyzing mass spectral data obtained using LCMS (liquid chromatography-mass spectrometry). This Excel Add-In is designed to help identify small molecules from less-than-perfect mass spectral data. All data must be accurate mass fragmentation data with a minimum accuracy of +/- 5 mDa, which has become common recently. This book is not concerned with the technical or experimental aspects of ion formation, mass selection or mass measurement; it deals primarily with the analysis of accurate mass fragmentation data of to idenitfy small molecules . In this book, there are no fragmentation rules, chemical drawings of hypothetical fragment ions, or quantum mechanics. This book is also not an attempt to review the literature of computational approaches to mass spectral interpretation. This book is basically the author’s perspective about a different approach that can help chemists, not just mass spectrometrists, to identify analytes quickly from LCMS data generated using electrospray ionization.
eBook details
- Title: Mass Spectrometry by the Numbers: Identifying Small Molecules from Accurate-Mass Fragmentation Data
- Author : Daniel Leo Sweeney Ph.D.
- Release Date : *
- Genre: Books,Science & Math,Chemistry
- Pages : * pages
- Size : * KB
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