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Mass Spectrometry. A Textbook. By Jrgen H. Gross

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Mass Spectrometry
A Textbook. By
Jrgen H. Gross.
Springer Verlag,
Heidelberg 2004.
518 pp., hardcover
E 64.15.—ISBN
At last, we have here an up-to-date textbook on mass spectrometry that not
only contains a thorough treatment of
the various aspects and methods of this
technique, but also provides a comprehensive coverage of the relevant literature. It is an excellent work—both a
textbook and a reference source—and
will serve the needs of both the student
eager to learn about the subject and
the mass spectrometry user who wishes
to increase his or her knowledge.
For organic chemists at every stage
of their education or training, who are
concerned with mass spectrometry as a
tool in their work rather than as a central part of their lives, it has become
increasingly difficult to understand and
evaluate the many radically new methods and applications that are reported
in the chemical, biochemical, and even
biological literature. What is one to
make of abbreviations such as
MALDI, ESI-MS, or MSn ? What can
they be used for—do they offer ways
of solving one(s own research problems?
This book by J+rgen Gross provides the
reader with clear answers to these and
similar questions.
The book contains 12 chapters, each
of which includes a comprehensive bib-
liography, through which the reader
can find further details about the topics
discussed in the text. Chapter 1, “Introduction”, explains important aspects of
mass spectrometry that are essential
for understanding those that follow,
including the terminology, the basic construction of a mass spectrometer, etc.
Also listed here are books and classic
works on mass spectrometry to help
the beginner, as well as monographs on
special aspects of the subject.
Chapter 2 is concerned with the
chemistry and physics of ions in the gas
phase, and covers topics such as the
quasi-equilibrium theory, ionization
processes, binding energy, ionization
energy, and gas-phase basicity. Chapter 3 completes the description of basic
principles by discussing isotopes, which
are very important in mass spectrometry
but are not a familiar subject to most
organic chemists.
Chapter 4 is devoted to instrumentation, and includes detailed descriptions
of magnetic sector instruments, quadrupole analyzers, and time-of-flight spectrometers, as well as ion traps, ion cyclotron resonance, and types of detectors.
Chapters 5 and 6 (100 pp. altogether)
are devoted to electron-impact (EI) ionization, which is still probably the most
commonly used method of ionization
in mass spectrometry, and to a detailed
discussion of the subsequent fragmentation behavior of organic molecules ionized in this way. That is followed by
chapters on chemical ionization (Chapter 7), field ionization and field desorption (Chapter 8), fast-atom bombardment (Chapter 9), matrix-assisted laser
desorption and ionization (Chapter 10),
and electrospray ionization (Chapter 11). The various modifications of
these ionization methods are described
in separate subchapters of the above.
Lastly, Chapter 12 describes various
coupled methods: GC-MS, LC-MS, and
The problem of reaching a decision
about buying a mass spectrometer for a
laboratory is not trivial, especially
when it has to serve the needs of a
whole institute or department with
many different research interests and
fields of application. Gross offers some
useful thoughts and suggestions about
this on page 182.
< 2004 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim
From the conception of the book
and its detailed contents it is clear that
the author has a deep understanding of
this field. Moreover, in his preface he
thanks a number of mass spectrometry
experts for critical reading of particular
chapters. This useful and clearly written
book can be recommended unreservedly as a textbook and reference
source for chemists, especially organic
Manfred Hesse
Organisch-chemisches Institut
Universit.t Z0rich (Switzerland)
DOI: 10.1002/anie.200385205
Analysis and Purification Methods
in Combinatorial Chemistry
Edited by Bing Yan.
John Wiley & Sons,
New York 2003.
466 pp., hardcover
$ 99.95.—ISBN
The many different combinatorial synthesis techniques require appropriate
high-throughput, fully automated analytical techniques, including data evaluation and interpretation. Thus, a rich and
diverse literature on the analytical
methods used in combinatorial chemistry is already available in reviews and
books. The editor of this book was certainly aware that the rapid advances in
this field made it difficult to select something new on this topic that would
attract a broad readership from various
scientific disciplines.
One may even question the need for
having such a book on the shelf now,
after 10 years of intensive activity in
combinatorial chemistry and analysis.
Is the book intended for analytical
chemists who are not specialized in combinatorial chemistry, or for combinatorial chemists interested in novel analytiAngew. Chem. Int. Ed. 2004, 43, 4552 – 4553
cal instrumentation to analyze their
All of my colleagues working seriously and productively in the area have
found that fast HPLC-ESI-MS with
UV detection is the method of choice
for both the analysis and the purification of large numbers of compounds.
For fast bead analysis, ATR-IR and
HPLC-MS are useful methods for
single-bead analysis in research laboratories. NMR spectroscopic analysis
using gel-phase or MAS methodologies
is still time-consuming and costly,
despite recent advances in the technology, and is rarely used.
For industrial chemists familiar with
combinatorial chemistry, the book contains little new information. For those
just entering the field, the book presents
17 chapters from various experts, rather
arbitrarily weighted, which are divided
into four main parts. Part I, devoted to
analysis for feasibility and optimization
of library synthesis, starts with a boring
textbook-style chapter on quantitative
NMR analysis. This is followed by a special report on the study of resins by gelphase 19F NMR spectroscopy, in which
an exotic method for resin coding by
fluorinated linkers is proposed. The
short article on single-bead FTIR analysis, beginning on page 53, includes the
first description of a combinatorial
library in the book, but the authors fail
to refer the reader to other relevant literature on topics such as on-bead
FTIR microscopy and ATR-IR.
MAS-NMR on-bead analysis for
reaction monitoring is described for
the example of polystyrene grafted
with polyethylene glycol (PEG). Part I
ends with a survey on multivariate
tools for combinatorial chemistry, and
an agreeably critical short chapter
describing the mass-spectrometric analysis of soluble PEG supports.
Part II is devoted to high-throughput
analysis for library analysis, and begins
with an excellent overview on new
NMR technologies, including LC NMR
Angew. Chem. Int. Ed. 2004, 43, 4552 – 4553
microcoil probes and parallel NMR
related methods are certainly some of
the most powerful separation technologies, but their routine and general application is comparatively rare for a
number of reasons, including the problem of selecting suitable buffers, and
the low degree of automation. The chapter is very informative on surfactant
analysis and includes a good bibliography.
Various developments for split-pool
encoded libraries are still in vogue in
academic research, and the generation,
analysis, and use of such libraries with
100 000 or more individual compounds
is “true” combinatorial chemistry, and
can considerably accelerate the process
of finding hits. However, compared to
the relatively risk-free parallel production facilities widely found in industrial
lead searching, the use of complex and
encoded libraries is seen only in a few
specialized and experienced laboratories. The chapter describes some basic
tools for the analysis of split-pool libraries.
Most important are the three chapters of Part III which illustrate methods
for the fast purification of combinatorial
compound collections. Improving compound purities has become a major
goal in combinatorial chemistry to
reduce the number of false hits. Fully
automated preparative HPLC-MS, and
less costly parallel methods such as
liquid and solid extraction methods, as
well as other less common procedures
such as supercritical fluid chromatography (SCF), are summarized. Descriptions of industrial applications by using
UV- and MS-triggered purification systems with HPLC and SFC, and commercially available parallel HPLC systems,
illustrate the present technical possibilities.
Part IV includes methods to determine the stability and “drugability” of
compound collections. It is indeed a
problem to survey the stability of large
compound collections, especially after
storage and dissolving in microtiter
plates for assay platforms. Decomposition of initially pure collections causes
high costs because of time and effort
wasted in primary screening. One chapter describes realistic examples from the
viewpoints of industrial experts. The
short chapter on the use of quartz crystal
microbalance detectors for molecular
recognition of ligand–receptor interaction is somewhat lost in this book.
Much more important sensor techniques
should have been incorporated into this
part. Two critical and informative chapters on high-throughput physicochemical profiling deserve to be specially
mentioned. The last chapter is devoted
to the use of LC-MS from 96-well
plates for exact and fast determination
of the partition coefficients of compounds.
Various authors of special chapters
in the book have escaped a critical evaluation of their narrow analytical specialties within the full and diverse area of
combinatorial chemistry. One would
have expected a chapter from the
editor in this context. The index of this
multi-author book is rather poor and
unprofessional, and omits important
analytical entries such as infrared and
ultraviolet spectroscopy, and even mass
spectrometry and its related subcategories do not appear.
With the exception of a few chapters,
the book summarizes most of the currently used technology in analysis and
purification of products from combinatorial chemistry. It is a useful book for
chemists entering the field from either
analytical or synthetic organic chemistry
Gnther Jung
Institut f0r Organische Chemie
Universit.t T0bingen (Germany)
< 2004 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim
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mass, jrgen, gross, textbook, spectrometry
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