How Long to Read Mass Spectrometry by the Numbers

By Daniel Leo Sweeney, PH D

How Long Does it Take to Read Mass Spectrometry by the Numbers?

It takes the average reader 3 hours to read Mass Spectrometry by the Numbers by Daniel Leo Sweeney, PH D

Assuming a reading speed of 250 words per minute. Learn more

Description

When identifying compounds using mass spectrometry, you no longer have to use circular reasoning and 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 small singly-charged analytes. 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. When a limited set of data is basically converted into graphical representations with a few scores, it is important to understand the underlying operations and heuristic assumptions that are being made. First, there is a brief description of partitioning (Chapter 1). Three properties of atoms and combinations of atoms (mass, isotopic frequency, and valence) that are critical to mass spectrometry are described in Chapter 2. These three properties, base rates, and other considerations can then be used to find plausible subfragment masses while excluding many spurious masses (Chapters 3 and 4). In Chapter 5, combinations of plausible subfragment masses are systematically generated and checked to find mathematical partitions of the molecular weight. The best partitions are partitions of the molecular weight which also have combinations of subfragments that can explain many of the more intense fragment ions. These sets of partitions are sets of subfragment masses which are not aligned in space at this point. In Chapter 6, permutations of these combinations of subfragment masses are systematically generated and checked against truth tables to find spatial alignments of the subfragments in modular structures that are consistent with the mass spectral data. Up to this point, all operations in the Excel Add-In were done using masses (numbers); in Chapter 7, the subfragment masses are converted into sets of complementary subfragment formulas. Chapter 8 of this second edition is a new chapter that considers relationships between these subfragment formulas and corresponding substructures in molecules. Substructure searching, introduced in Pubchem Compound after the first edition of this book was published, will also be illustrated. Scoring is discussed in Chapter 9. Basic data considerations are described in Chapter 10. In Chapter 11, some examples of using the Excel Add-In are described in some detail.

How long is Mass Spectrometry by the Numbers?

Mass Spectrometry by the Numbers by Daniel Leo Sweeney, PH D is 176 pages long, and a total of 45,056 words.

This makes it 59% the length of the average book. It also has 55% more words than the average book.

How Long Does it Take to Read Mass Spectrometry by the Numbers Aloud?

The average oral reading speed is 183 words per minute. This means it takes 4 hours and 6 minutes to read Mass Spectrometry by the Numbers aloud.

What Reading Level is Mass Spectrometry by the Numbers?

Mass Spectrometry by the Numbers is suitable for students ages 10 and up.

Note that there may be other factors that effect this rating besides length that are not factored in on this page. This may include things like complex language or sensitive topics not suitable for students of certain ages.

When deciding what to show young students always use your best judgement and consult a professional.

Where Can I Buy Mass Spectrometry by the Numbers?

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