Contents

Volume 1: Theory and Ion Chemistry
Volume Editor: Professor Peter B. Armentrout
ISBN 0080438024
Publication date: July 25, 2003
volume 1 contents.

Volume 2: Biological Applications Part A
Volume Editors: Professor Michael L. Gross and Professor Richard Caprioli
ISBN 0080438008
Ship date: 2nd Quarter 2004
volume 2 contents.

Volume 3: Biological Applications Part B
Volume Editors: Professor Michael L. Gross and Professor Richard Caprioli
ISBN 0080438032
Ship date: 2nd Quarter 2004
volume 3 contents.

Volume 4: Fundamentals of and Applications to Organic (and Organometallic) Compounds
Volume Editor: Professor Nico M. M. Nibbering
ISBN 0080438466
Ship date: 4th Quarter 2004
volume 4 contents.

Volume 5: Elemental and Isotope Ratio Mass Spectrometry
Volume Editor: Professor R. Sam Houk
ISBN 0080438040
Ship date: 1st Quarter 2005
volume 5 contents.

Volume 6: Molecular Ionization Methods
Volume Editors: Michael Gross and Richard Caprioli
ISBN 0080438016
Ship date: 1st Quarter 2005
volume 6 contents.

Volume 7: Mass Analysis and Associated Instrumentation
Volume Editors: Michael Gross and Richard Caprioli
ISBN 0080438059
Ship date: 3rd Quarter 2005
volume 7 contents.

Volume 8: Hyphenated Methods
No volume editor assigned yet
ISBN 0080438474
Ship date: 1st Quarter 2005

Volume 9: Historical Perspective
No volume editor assigned yet
ISBN 0080438482
Ship date: 1st Quarter 2005

Volume 10: Index
No volume editor assigned yet
ISBN 0080438490
Ship date: 2nd Quarter 2005

Volume 1: Theory and Ion Chemistry

1 Theory (Reactions)

Ion Molecule Collision Theory D P Ridge
Statistical Theories in Mass Spectrometry J C Lorquet and B Leyh
Kinetic Energy Release Distributions in Mass Spectrometry B Leyh and J C Lorquet
Non-adiabatic Reactions J C Lorquet and B Leyh
Classical Trajectory Simulations W L Hase

2 Theory (Energies and Potential Energy Surfaces)

Theoretical Methods M S Gordon
Anions J Simons
Organics M Yanez
Transition Metals M C Holthausen

3 Instrumentation

Metastable Ions J L Holmes
Flow Tubes V M Bierbaum
Multiquadrupole: Instrumentation and Methods Applied to the Study of Ion-Molecule Reactions
C Rolando and M Sablier
TOF and RTOF A Uphoff and J Grotemeyer
Fourier Transform Ion Cyclotron Resonance A G Marshall
Ion Traps R E March
Crossed Beam Methods for Ion Collisions J M Farrar
Merged Beams W R Gentry
Rf Ion Guides D Gerlich
Ion Storage Rings M Larsson
High Temperature Studies A A Viggiano

4 Ion Spectroscopy

Spectroscopy of Molecular Ions in Noble Gas Matrices L Andrews
Microwave and Infrared Spectroscopy of Molecular Ions T Oka
Ion Fluorescence T G Wright
Photoelectron Spectroscopy, Threshold Photoelectron Spectroscopy, and Pulsed Field Ionization
T Baer
Threshold Ion-Pair Production Spectroscopy (TIPPS) J W Hepburn
Photodissociation Spectroscopy R C Dunbar
Infrared Photodissociation J M Riveros
Vibrational Predissociation M A Johnson
Product State Distributions S Kato
Vibrational State Selection S L Anderson
Ion Imaging Techniques for the Measurement of Ion Velocities D W Chandler and C C Hayden

5 Thermochemistry - Methods

Thermochemistry Definitions and Tabulations K M Ervin and P B Armentrout
The Bracketing Method for Determining the Thermochemistry of Ion/Molecule Reactions
J E Bartmess
Ion-Molecule Equilibria at High Pressure P Kebarle
Low Pressure Ion-Molecule Equilibrium K A Kellersberger andD V Dearden
Charge Transfer Equilibria and Complexes M Mautner
The Kinetic Method: Thermochemical Determinations and Chiral Analysis X Zheng, R Augusti,
W A Tao and G Cooks
Radiative Association Kinetics: Ion-Ligand Binding Thermochemistry R C Dunbar
Black-Body Infrared Radiative Dissociation: BIRD R C Dunbar
Measuring Fragment Ion Appearance Energies by Photoionization Methods T Baer
Photoelectron Spectroscopy of Negative Ion Beams: Measurements of Electron Affinities G B Ellison
Thermochemistry from Threshold Ion-Pair Production Spectroscopy J W Hepburn
Photodissociation Studies of Ion Thermochemistry R C Dunbar
Reaction Threshold Energy Measurements P B Armentrout
Collision-Induced Dissociation P B Armentrout
The Correlation of Thermochemical Data J L Holmes

6 Collision Activation and Dissociation

Methodology J Mitchell and S A McLuckey
Single Collisions P B Armentrout
Multiply Charged Ions P Scheier
Collisional Activation for Structural Analysis D Schroder
Via Ion-Neutral Complexes T H Morton
Collisions of Ions with Surfaces at Hyperthermal Energies
R G Cooks, V Grill, N Wade, S-C Jo and B Gologan

7 Mobilities

Transport Properties L A Viehland
Small Systems J Husband and S R Leone
Drift Tubes: Instrumentation and Applications to Biomolecules
A E Hilderbrand, S J Valentine and D E Clemmer

8 Neutralization, Charge Reversal

Charge Reversal D Schroder
Generation and Characterization of Transient Intermediates by Neutralization-Reionization
Mass Spectrometry F Turecek
Electron-Ion Recombination N G Adams, L M Babcock and J L McLain
Ion-Ion Recombination N G Adams, L M Babcock and C D Molek

9 Organic Ion Chemistry (Positive)

Unimolecular Organic Reactions N M M Nibbering
Bimolecular Reactions N M M Nibbering
Aliphatic Substitution D Kuck
Eletrophilic Aromatic Substitution D Kuck
SN2 and Related Reactions R A J O'Hair
Distonic Radical Cations H I Kenttamaa
Gas-Phase H/D Exchange of Organic Compounds for Structural Elucidation
M K Green and C B Lebrilla

10 Organic Ion Chemistry (Negative)

Unimolecular Rearrangements of Carbanions S R Kass
Nucleophilic Substitution and Elimination Reactions S Gronert
Addition/Elimination Reactions S Gronert
Oxidation/Reduction Reactions of Negative Ions in the Gas Phase P G Wenthold
Strained Ring and Highly Basic Carbanions S R Kass
Negative Distonic Ions N M M Nibbering
H/D Exchange Reactions C H DePuy and S Kato
Organo-aluminium, -silicon, -phosphorus, and -sulfur Chemistry
R Damrauer and R A J O'Hair

11 Solvation and Clusters

The Ionic Hydrogen Bond: Clusters and Ion Solvation M Mautner
Small Molecular Clusters R L DeLeon and J F Garvey
Covalent Clusters of Group 14 Elements C Lifshitz
Endohedral Complexes of Fullerenes and Mass Spectrometry D E Giblin and M L Gross
Cluster Anions (Experiments) K H Bowen Jr and E W Schlag
Metal Ion Solvation P B Armentrout
Host-Guest Chemistry in the Gas Phase D V Dearden
Metal Clusters K Hansen and L Schweikhard

12 Inorganic Chemistry

Alkali Metal Ion Chemistry J D Anderson and D V Dearden
Silicon Ion Chemistry D K Bohme
Transition Metal Ion Chemistry P B Armentrout
Transition-Metal Oxides D Schroder
Photoelectron Spectroscopy of Inorganic Molecules N E Gruhn and D L Lichtenberger

13 Biopolymers

The Ionic Hydrogen Bond in Complex Organics and Biomolecules M Mautner
Activation, Dissociation J L Beauchamp
H/D Exchange J L Beauchamp
Ion-Ion reactions: Biopolymers S A McLuckey

Volume 2: Applications to Biology: Peptides and Proteins

Peptides and Proteins

CE/MS, analysis
Chemical modification/damage
Derivatization for Analysis
Desalting/purification/microdialysis
Disulfide Bond Analysis
Enzyme kinetics
Folding/Unfolding
Fragmentation Mechanisms of Ions
Gel Electrophoresis
Glycoproteins
H/D Exchange Methods
High-resolution Measurements
High Sensitivity Detection
Hydrolysis, Chemical & Enzymatics
Image Analysis of Proteins in Tissues
Protein Complexes
LC/MS, analysis
Membrane proteins
Metal Ion Binding
Molecular Weight Measurements
Neuropeptides
Non-covalent Interactions, Ligand/Protein
Non-covalent Interactions, Protein/Protein
Phosphorylation, sulfation
Proteomics
Quantitation/Proteins
Quaternary Structure
Secondary Structure
Sequence Analysis - Digestion/Cleavage
Sequence Analysis - High Energy MS/MS
Sequence Analysis - Low Energy MS/MS
Sequence Analysis - PSD with MALDI
Single Cell, analysis of

Volume 3: Applications to Biology, Carbohydrates, Nucleic Acids, and other Biological Compounds

Carbohydrates

Fragmentation mechanism
Digestion for glycosylation analysis
GC/MS of Derivatized Saccharides
Glycosphingolipids
LC/MS
Linkage Analysis
Lipopolysaccharides
Lipo-oligosaccharides
Metal ligand/Oligosaccharides
N-Linked Carbohydrates
O-Linked Carbohydrates

Nucleic Acids

Base Analysis
Digestion of Nucleic Acids (Enzyme & Chem)
DNA Sequence Analysis
Fragmentation mechanism
High Throughput Genotyping
LC/MS
Ligand/DNA Complexes
Modified Bases - DNA
Modified Bases - RNA
Single Nucleotide Polymorphisms
RNA Mapping
RNA sequence analysis
Non-covalent complexes

Pharmaceuticals/Pharmacology/Toxicology

Accelerator MS in Human Subjects
Automation
Combinatorial Screening
Drug Disposition
GC/MS of Drugs and Metabolites
LC/MS of Drugs and Metabolites
New Drug Discovery

Pharmaceuticals/Pharmacology/Toxicology - cont

Pharmacokinetics
Structure Determination - Natural
Drug Metabolites Chandra
Toxicology and Cancer

Natural Products

Protein Identification in Microorganisms
Antibiotics
Natural Drugs Extracted from Plants
Virsus
Wine
Foods

Isotope Ratio in Biology

AA Metabolism, kinetics
Breath tests, clinical
CRIMS Abrahamson
Quantitation of Metabolites in Fluids & Tissues
Stable Isotopes to Measure Kinetics

Clinical Applications

Hemoglobin Variants
Urinary Organic Acids
Urinary Steroids

Lipids

Fatty Acids, Triglycerides
Free Fatty Acids
Glycolipids
Lipid Mediators - Oxygenated Analogs
Lipid Mediators - Prostaglandins
Phospholipids
Sphingolipids
Steroids
Sulfatides, sphringomyelin
caratenoids, lipid soluble vitamins
acylcarnatines

Volume 4: Fundamentals of and Applications to Organic (and Organometallic) Compounds

Subject

Radical-cations, overview
Alkanes, alkenes, aromatic hydrocarbons
Amines and nitrogen cation-radicals
Enol ions
Carboxylic acids, esters, etc.
Sulfur (HS, -S-, -SS-) ions
Distonic ions
Ion-neutral complexes
Hydrogen- and other bridged ions
Even-electron cations, overview
Carbocations
Tropylium and related ions
Immonium and ammonium ions and phosphorus
analogs
Acylium ions
Oxonium ions and sulfur analogs
Protonated aromatics and arenium ions Dietmar Kuck
Halonium and halenium ions
Structures produced in radiolysis
Carbanions
GB's of amino acids and peptides

C. Methods of Studying Gas-Phase Ions

Metastable ion decompositions
CID
Use of PES to understand decomposition
Use of Wahrhaftig plots to understand
decompns
Species generated by pyrolysi
Field ionization kinetics
Electron-capture dissociation
C10. IRMPD
Photochemistry and spectroscopy of organic ions
C12. Radiolysis of organic compounds

D. Unimolecular Dissociations of Organic Ions

Simple bond cleavages
Charge-remote fragmentation
H2 eliminations
Elimination reactions
D05. Cycloreversion reactions
H-rearrangements
McLafferty and related reactions
Hidden hydrogen rearrangements
Reactions that reveal stereochemistry
Functional group interactions
Negative ion cleavages of peptides
Unimolecular stereospecific reactions of
acyclic cations

E. Hydrogen-Deuterium Exchange Reactions of Organic Ions.

H/D exchange of hydrocarbons
H/D exchange of oligodeoxynucleotides
H/D exchange for active H counting in CI

F. Reactions of Organic Molecules with Organic Ions

Organic ion/molecule reactions , overview
Additions to multiple bonds
Condensations centered on carbonyl and
related groups (aldol etc.)
Riveros and related reactions
Additions and Cycloadditions
Reactions with O.-, O2.- etc.
Stereoselective reactions
Aromatic substitution reactions
SN2 reactions and double-well potential
Radical reactions as modeled by distonic ions
Reactions of ions with radicals
SNi reactions
Charge transfer
Charge reduction reactions
Clustering and reactions in clusters
Reactions of optically active isomers

G. Metal Ion Complexes: Formation and Reactivity

Structural/Analytical (parts H - I).

H. Structure Determination of Organic Compounds

Rules for Mass Spectra Interpretation:
The Standard Interpretation Procedure
Hydrocarbons (alkanes, ens, yns, aromatics,PAH) br> Unsaturated compounds with heteroatoms
(aldehydes, ketones, acids, nitriles)
Chiral Compounds
Alkaloids
Amino acids and small peptides
Organometallics (early transition metals)
Organometallics (late transition metals)

I. Determination of Organic Compounds by Methods using Mass Spectrometry

Role of GC/MS in petroleum industry and petrochemistry
Mass spectrometry of coal liquids
Pesticides Donald
Herbicides
Halogenated cmpds of environmental interest
Chlorinated dioxines and related compounds
Other chlorinated materials (PCBs, etc)
Analgesics and anesthetics and their metabolites
Antibiotics and metabolites
Antiarrhythmic,antihypertensive, antidepressants
Hydrocarbons and energy materials
Flavors, aromas, colorants, preservatives, foods,
essential oils (break in two to three articles)
Pheromones and other attractants
Marine toxins
Organic materials important in forensics
Organic materials in geology
Organic substances in nutrition
Drugs in blood, urine
Synthetic polymers (nonpolar)
Synthetic polymers (polar) Jim Scrivens
Emissions from combustion sources
Explosive

Volume 5: Elemental, Isotopic & Inorganic Analysis By Mass Spectrometry

R. S. Houk, Volume Editor

History of inorganic MS?

I. Plasma Ionization
A. ICP
1) Sample dissolution
2) Sample introduction & sample types
a. Analysis of liquid samples by nebulization
b. Laser ablation
c. Electrothermal vaporization
d. LC
e. CE Prange
2) Ion extraction from ICP
3) Mass analyzers (quad & sector)
4) Interferences
a. Polyatomic ions w. collision cells
b. Polyatomic ions w. high resolution
c. Matrix effects

Applications
a. Environmental
b. Geochemistry
c. Semiconductor materials
d. Nuclear & nuclear materials
e. Biomedical
f. Speciation small molecules
g. Speciation - biomolecules Sanz-Medel

B. Glow discharge
1) GD basics
2) Ion extraction & mass analyzers
3) Applications
a. Conductors & semicons
b. RF GD for insulators
c. Nuclear applications
c. Depth profiling
5) Control of fragmentation
6) Gas sampling

C. Other high pressure plasmas
1) Microwave induced plasmas
2) Diagnostic studies of flames & plasmas
E. RF spark source

II. Electrospray Ionization for Inorganic Analysis

A. Desolvation and CID of inorganic and organometallic ions.
B. Measurement of metal ions Horlick
C. Inorganic speciation, identification of unknown inorganic species

*Inorganic elements in biomolecules in other volumes?

III. SIMS & Surface Analysis

A. Sputtering and ionization basics
B. Instrumentation
C. Resonance ionization & sputtered neutral MS
D. TOF-SIMS for surface analysis and imaging
1) Cells & bio. system
2) Semiconductors

V. Inorganic Laser Desorption & Laser Ionization
A. Atmospheric aerosols
1) Instrumentation Prather
2) Application, field measurements

B. Elemental analysis by laser ionization

C. Speciation in solids
D. Laser ionization cluster sources

V.1. MS of volatile chelates

VI. Isotope Ratio Measurements
A. Gas isotope ratios: C, N, O, S, ...
1) Batch samples
2) GC- combustion MS methodology
3) GC- combustion MS applications
4) Pyrolysis reactor
5) LC-MS
6) Noble gases
7) Sample prep.

B. Thermal Ionization
1) Positive ions Olivares?
2) Negative ions
3) MS instrumentation, multiple collector magnetic sector MS
4) Thermal ionization cavity
5) Applications
6) Sample prep.
C. Isotope ratios on intact molecules

D. Resonance ionization Atom Sci.
Old Asilomar mtg.

SHRIMP GSC

VII. Accelerator MS
A. Source Instrumentation
B. Analyzer Instrumentation
C. Applications
1) 14C measurements, other than biomed
2) Other rare isotopes
3) Biomedical appls
Already in previous
volume

IX. Thermochemical & Other Fundamental Measurements on Inorganic & Organometallic Molecules

A. Knudsen cell
Overlap with other volumes?

X. Miscellaneous Methods & Applications
A. Isotope separation
1) Calutrons
2) Ion mobility Guevremont

Ion mobility in other volumes?

B. Space exploration
C. Supersonic exp. MS for elemental analysis?
D. Atmospheric studies by MS
Viggiano

Suggestions for Advisory Board
One in each category, most preferred listed first :

1. Glow discharge
2. SIMS, surfaces
3. Isotope ratios
4. Laser methods
5. Accelerator MS
6. Inorganic electrospray

Volume 6: Molecular Ionization

1 Electron Ionization (EI) Basic Principles and Theory
1a Radical Cations
1b Nitrogen Rule
1c Isotope Clusters
1d Exact-mass Measurements
1e Desorption EI
1f Sample Handling
2 Photoionization (PI) Basic Principles and Theory
2a Determination of Ionization Energies
3 Photoelectron Spectroscopy (PES) Basic Principles and Theory
3a PE spectroscopy of neutral molecules
3b PE Spectrocopy of Neg. Ions
3c Coincidence Spectroscopy
4 Laser Ionization Basic Principles and Theory
4a Resonance Enhanced MPI
4b PI of Laser Desorbed Neutrals
4c MPI of Neutrals in Supersonic Beams
4d Vacuum UV Laser Ionization
4e Surface Analysis of Organics
5 Chemical Ionization (CI) Basic Principles and Theory
5a Proton Transfer to Give Pos Ions
5b Proton Transfer to Give Neg Ions
5c Electron Transfer to Give Pos Ions
5d Electron Transfer to Give Neg Ions
5e Transfer of Other Groups
5f Transfer of, or reaction with, Metal Ions
5g Chemi-Ionization (Ionization by reaction with neutrals) Sparkman/Grayson
6 Thermochemistry of Gas-phase Ions Basic Principles
6a Proton Affinitie
6b Acidities
6c Ionization Energies by electron substraction
6d Electron Affinities from electron addition
6e Metal Ion Affinities
7 Ion-Molecule Reactions
8 Thermospray
9 Electrospray Basic Principles and Theory
9a Micro-electrospray methods
9b Detailed Mechanisms
10 Atm-Press. Chemical Ionization
11 Fast Atom Bombardment Basic Principles and Theory
11a Liquid SIMS
11b Ion and Atom Guns
11c Liquid metal Ion Guns
11d Massive Particle Bombardment
11e Flow FAB
11f Pulsed FAB
11g FAB combined with CI
12 Cf-252 Plasma Desorption Basic Principles and Theory
13 Desorption by Accelerator particle beams Basic Principles and Theory
14 Laser Desorption Basic Principles and Theory
14a Applications of Laser Desorption
15 Matrix-Assisted Laser Desorption (MALDI) UV MALDI
15a Matrix Design and Choices
15b Infrared MALDI
15c Imaging by MALDI
15d High Throughput MALDI
16 Electrohydrodynamic ionization Basic Principles
17 Field Ionization Basic Principles
17a Field Ionization Kinetics
18 Field Desorption Basic Principles
18a Applications
19 Gas-Discharge Ionization
20 Penning Ionization
21 Pyrolysis Basic Principles
21a Temp. Jump
21b Curie Point
22 Choice of Ionization for Molecules Typical Classes of Organic Molecules
22a Peptides and Proteins
22b Oligonucleotides
22c Fatty Acids and Lipid
22d Carbohydrates
22e Synthetic Polymers
22f Organometallics

Volume 7: Mass Analysis

1 Magnet Sectors Basic Principles
1a Magnet Analyzers: Single Focusing Instruments
1b Dempster Instrument
1c Baimbridge Instrument
1d Isotope Separators: Calutrons
1e Electrostatic Analyzer
1f Double Focusing Principle, First and Second Order
1g EB and BE Instruments with electrical recording
1h Parabolic Mass Spectrographs
1i Double Focussing Mass Spectrographs
1j Extended Mass Instruments
1k Grand-Scale Instruments
1l Accelerator Mass Spectrometers
1m Miniature, Process Control Instruments
2 Tandem Sector Instruments Basic Principles
2a Metastable-Ion Detection
2b Linked Scanning
2c Three Sector Instuments
2d Four Sector Instruments
2e Four Sector Instruments with Array Detectors
3 Monopoles Basic Principles and Design
3a Quadrupoles Basic Principles and Design
3b Stability Diagrams
3c Ion Trajectories in Quadrupoles
3d Other RF Stability Mass Spectrometers
4 Tandem Quadrupoles Triple Quadrupoles
4a Scan Methods
4b Penta and Higher order Quadrupoles
4c Sector/Quadrupole Combinations
4d Quadrupole/Sector Combination
5 Time-of-Flight (TOF) Basic Principles
5a Bendix TOF Mass Spectrometer
5b Single Path TOF Mass Spectrometers
5c Reflectrons Cotter
5d Reflectron TOF Mass Spectrometers (Dual Path)
5f Multiple Path TOF Mass Spectrometers
5g Orthogonal TOF Guilhaus
5h Metastable-Ion Methods, PSD, and Collisional Activation
5i Fast kinetics
5j Proteomics
6 Tandem Time-of-Flight Basic Principles and Design
6a TOF/TOF
7 Sector/TOF Basic Principles and Design
8 Quadrupole/TOF (Q/TOF) Basic Principles and Design
8a Applications
8b Proteomics
9 Quadrupole Ion Traps Basic Principles and Design
9a Ion-Injection Methods
9b Electrospray Ionization and APCI
9c MALDI
9d Ion-Trajectory Simulations
9e Ion-Molecule Reactions
9f Ion-Ion Reactions
9g Use as an Ion Collector (Accumulator)
10 Tandem Mass Spectrometry with the Ion Trap Basic Principles and Design
10a Ion Activation
10b MSn Methods
10c Ion Spectroscopy and Photodissoc
10d Proteomics
11 Fourier Transform Ion Cyclotron Resonance Basic Principles and Design
11a Cell Designs
11b Ion Injection Methods
11c Electrospray
11d MALDI
11e Ion-Molecule Reactions
11f Ion Axialization
11g Exact Mass Measurement
11h Remeasurement
12 Tandem Mass Spectrometry with the FT-ICR Basic Principles, Design, Event Sequences
12a Ion Activation and Photodissoc
12b Surface Activation
12c Electron-Capture Dissociation
12d Blackbody IR Dissociation
12e MSn Methods
13 Lens and other Ion Optic Devices Design and Basic Principles
14 Detectors Faraday Cups
14a Electron Multipliers
14b Photoplates
14c Arrary Detectors, MCPs
14d Cyclotron Motion Detectors
15 SIMION

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