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Mass Spectrometry

Mass Spectrometry

Mass spectrometry is an analytical technique to measure the mass-to-charge ratio of ions that can be used to identify unknown compounds, determine the isotopic composition of elements in a compound, and quantify the amount of a compound in a sample.

Online available information resources on Mass Spectrometry: tutorials, lecture notes, databases, software, journals, institutions etc.

Further information categories about related topics are listed in the navigation menu on the left side of these page.

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Current Stories and Reports

NEMS/mass Spectrometry System

Artikel lesen ...

Caltech physicists create first nanoscale mass spectrometer

Device can instantly measure the mass of an individual molecule.

[Image credit: Akshay Naik and Selim Hanay] - [e]

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General Information

Application Notes
Over 80 articles on Thermal Desorption, MS Direct Probe, and SIMION, including papers we presented at PittCon, ASMS, and EAS. Scientific Instrument Services, SIS, USA - [e]

Electrospray Ionization Mass Spectrometry
An introduction - Format: PDF - [e]

Electrospray Mass Spectra
Interpreting Electrospray Mass Spectra. IonSource.Com tutorial - [e]

Ionization Methods in Organic Mass Spectrometry
Analytical Instruments Documents. Jeol, USA - [e]

Mass Spec Tips
... is a collection of tips relating to the operation and service of mass spectrometers. Scientific Instrument Services, SIS, USA - [e]

Mass Spectrometry
Introduction to Mass Spectrometry, MS. Fraunhofer IVV - [e]

Mass Spectrometry
Tutorial: What is Mass Spectrometry? - [e]

Mass Spectrometry
Tutorial: Understanding Chemistry - [e]

Mass Spectrometry Data
Mass Spectrometry Data at Widener contains mass spectrometry data obtained at Widener University - [e]

Miniature mass spectrometry
Links to miniature mass spectrometry and mobile GC/MS - [e]

MS Tools
An information source for the entire mass spectrometer community. Scientific Instrument Services, SIS, USA - [e]

TOF Mass Spectrometer
... is a instructional tutorial dealing with the fundamentals of Time of Flight (TOF) technology. It begins with a basic explanation of ion creation, separation and detection followed by a more advanced discussion of ion separation, the use of a reflector (RETOF), and second order focusing - [e]

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Lecture Notes, Tutorials

Mass Spectrometry
An introductory tutorial for students - [e]

Mass Spectrometry & Chromatography
Lecture notes - [e]

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Historical Facts and Documents

History of Mass Spectrometry
. Scripps Center for Mass Spectrometry, USA - [e]

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Data and Databases

Delta Mass
A Database of Protein Post Translational Modifications. ABRF, USA - [e]

LC-ESI-MS/MS Library of Drugs using three Collision Energies and Energy Spread with Enhanced Product Ion Scan (EPI) with a Q TRAP: library of 1253 compounds. Institute of Legal Medicine, University of Freiburg - [e]

Exact Masses and Isotopic Abundances
Alphabetic Listing of Elements. Scientific Instrument Services, SIS, USA - [e]

A powerful search engine that uses mass spectrometry data to identify proteins from primary sequence databases. Matrix Science - [e]

Mass Frontier
... provides you with the tools required to transform mass spectral data into results - fast!. Thermo - [e]

Mass Search
Searching SwissProt or EMBL by protein mass after digestion. ETH Zürich - [e]

Mass Spectra Libraries for LC/MS
LC-ESI-MS/MS Library of Drugs using three Collision Energies and Energy Spread with Enhanced Product Ion Scan (EPI) with a Q TRAP: library of 1253 compounds. Institute of Legal Medicine, University of Freiburg - [e]

NIST Standard Reference Database 1
NIST/EPA/NIH Mass Spectral Library (NIST 05) ASCII Version - [e]

NIST Standard Reference Database 1A
NIST/EPA/NIH Mass Spectral Library with Search Program - [e]

Spectral Databases
More resources ... - [d, e]

Wiley Registry of Mass Spectral Data
... is one of the most trusted and comprehensive mass spectral libraries in the world, and the gold standard for detection, identification and quantification in forensics, the environment, toxicology, and homeland security - [e]

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Software and Programs

Elemental Composition Calculator
Online calculator. University of Utah, USA - [e]

Exact Mass Calculator, Single Isotope Version
... is a very primitive exact mass calculator. Given the formula of a chemical species, the calculator determines the exact mass of a single isotope of that species and the relative abundance of that isotope. Scientific Instrument Services, SIS, USA - [e]

FDM - Reference Spectra Databases
Infrared, Mass, NIR and Raman spectra, and software - [e]

Formular Finder
From the input parent peak and fragment masses all possible formulas are generated and formulas for the parent peak that are inconsistent with the fragment formulas are dropped - [e]

Fragment Finder
... provides a list of possible formulas for a given fragment mass - [e]

Accurate Mass & Peptide Modification. Help to unravel information encrypted in the deltamass value of accurate peptide masses. Deltamass is the post-decimal-point part of the accurate mass. DKFZ - [e]

Global Proteome Machine. Rockefeller University, USA - [e]

GPM X! Hunter
... is a search engine that compares experimentally observed spectra directly with consensus mass spectra obtained from the GPMDB. Rockefeller University, USA - [e]

Isotope Cluster
... calculates the isotope pattern for a given molecular formula. It includes 3rd and 4th period representative and transition metal elements - [e]

Isotope Distribution Calculator and Mass Spec Plotter
The program can calculate the isotopic distribution of a given chemical species. It can also plot either calculated or manually inputted isotopic distributions. Scientific Instrument Services, SIS, USA - [e]

Ion Trap Simulation - [e]

... as a JCAMP-DX Data Viewer for Windows - [e]

A Program Predicting Mass Spectra of Combinatorial Libraries - [e]

Mass Spectrum Generator
Mass Spec Tools. Scientific Instrument Services, SIS, USA - [e]

Theory and Windows-based program to calculate mass spectra. For research and for teaching mass spectrometry and reaction kinetics - [e]

MedChem - pepseq
Peptide sequencing by computer-aided interpretation of mass spectrometric data; helps to inteprete collision induced mass spectra (MS/MS or linked scan) of oligopeptides - [e]

Metal Complex Finder
... finds the formula for an inorganic complex - [e]

Molar Mass Finder
... provides a list of possible molecular ion molar masses from given fragment masses - [e]

MolE - Molecular Mass Calculator
Calculates molecular masses and isotope ratios from elemental compositions. University of Utah, USA - [e]

Molecular Weight Calculator
This is a JavaScript calculator that will find the formula weight of a compound - [e]

Mongo Oligo Mass Calculator
The ultimate oligonucleotide mass calculator, calculates also electrospray series, CID fragments, endo- and exonuclease fragments. Includes the possibility for calculating modified residues. University of Utah, USA - [e]

MS Wizzard
Spectroscopic Tool. University of Potsdam - [d, e]

SIS offers some of the most popular titles of mass spec and scientific software. Scientific Instrument Services, SIS, USA - [e]

Nucleic Acids Masspec Toolbox
Mass spectrometry calculators and software - [e]

Oligo Composition Calculator
Finds nucleotide compositions from a given mass. User defined residues can be included. University of Utah, USA - [e]

Oligo II Mass Calculator
Oligonucleotide mass calculator, uses compositions as input. University of Utah, USA - [e]

Advanced Oligo Design and Analysis - [e]

... is a tool for identifying proteins from a collection of sequences that matches a single tandem mass spectrum. Rockefeller University, USA - [e]

Peptide Mass Finder
... calculates the masses of ions for a given peptide sequence - [e]

... is a tool for searching a protein sequence collections with peptide mass maps. A Bayesian algorithm is used to rank the protein sequences in the database according to their probability of producing the peptide map. Rockefeller University, USA - [e]

Proteomics tools for mining sequence databases in conjunction with Mass Spectrometry experiments - [e]

A resource for protein chemistry and mass spectrometry. Rockefeller University, USA - [e]

... correlates uninterpreted tandem mass spectra of peptides with amino acid sequences from protein and nucleotide databases - [e]

... is designed to be a robust, easy to use aide-de-camp in the correlation and interpretation of LC/MS and MS/MS spectra to a known protein sequence or sequences. Download: Demo, Lite-Version - [e]

Jeol documents and software - [e]

Solvent Cluster Ion Finder
... finds the formula for solvent cluster ions for the background in electrospray ionization MS - [e]

Tripeptide Mass Finder
... searchs for di- or tripeptide ions that match a given mass - [e]

Wsearch Software specializes in scientific software and expert consulting in the area of Mass Spectrometry, FTIR spectroscopy and X-Ray Diffraction - [e]

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Applied Spectroscopy
... publishes full-length articles, notes, and spectroscopic techniques. SAS - [e]

Base Peak
MS Ezine. Wiley - [e]

European Journal of Mass Spectrometry
... is a peer review journal covering all areas of mass spectrometry. Whilst “European” in its publishing base, its distribution, editors and authors are truly international. EMS, UK - [e]

International Journal of Mass Spectrometry
The journal invites papers in all fundamental aspects of mass spectrometry and ion processes, including instrumental developments and applications in biology, chemistry, geology and physics. Elsevier - [e]

Journal of Mass Spectrometry
... publishes papers on a broad range of topics of interest to scientists working in both fundamental and applied areas involving the study of gaseous ions. Wiley - Interscience - [e]

Journal of the American Society for Mass Spectrometry
... is devoted to the rapid publication of comprehensive original research papers covering all aspects of mass spectrometry. Elsevier - [e]

Mass Spec Source
A newsletter designed for the mass spec community. Scientific Instrument Services, SIS, USA - [e]

Mass Spectrometry Reviews
Well-written reviews in selected topics in the various sub-fields of mass spectrometry. Wiley - Interscience - [e]

Rapid Communications in Mass Spectrometry
... is a journal whose aim is the rapid publication of original research results and ideas on all aspects of the science of gas-phase ions; it covers all the associated scientific disciplines. Wiley - Interscience - [e]

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Research facilities and departments

Mass Spectrometry Laboratory
Universidade Estadual de Campinas, Thomson - [e]

MIT BEH Division of Toxicology; Mass Spectrometry Lab - [e]

IFZB, Interdisziplinäres Zentrum für Massenspektrometrie von Biopolymeren. University of Potsdam - [d]

San Francisco
Mass Spectrometry Facility. University of California, San Francisco, USA - [e]

Southern Illinois University
Mass Spectrometry - [e]

Washington University
Biomedical and Bioorganic Mass Spectrometry - [e]

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American Society for Mass Spectrometry
ASMS - [e]

Australian and New Zealand Society for Mass Spectrometry
ANZSMS - [e]

Belgian Society for Mass Spectrometry
BSMS - [e]

Biological Mass Spectrometry Laboratory
ASU - [e]

British Mass Spectrometry Society
BMSS - [e]

Canadian Society for Mass Spectrometry
CSMS - [e]

Dansk Selskab for Massespektrometri
DSM - [dk]

Deutsche Gesellschaft für Massenspektrometrie e. V.
DGMS - [d]

Dutch Society for Mass Spectrometry
NVMS - [e]

Fachverband Massenspektrometrie
der Deutschen Physikalische Gesellschaft e. V., DPG - [d]

International Mass Spectrometry Foundation
IMSF - [e]

International Mass Spectrometry Foundation
The purpose of the IMSF is to advance the science and practice of mass spectrometry worldwide by the promotion and dissemination of knowledge - [e]

International SIMS Society
... is a non-profit community of SIMS scientists, engineers, educators, researchers, companies, institutions. SIMS = Secondary Ion Mass Spectrometry - [e]

Irish Mass Spectrometry Society
- [e]

Mass Spectrometry Database Committee
American Academy of Forensic Sciences, Toxicology Section - [e]

Mass Spectrometry Society of Japan
- [e, jp]

Norsk Selskap for Massespektrometri
NSMS - [no]

Polish Mass Spectrometry Society
PTSM. Polskie Towarzystwo Spektrometrii Mas - [pl, e]

SIMS Work Shop
The SIMS Website was designed to serve as an international, interactive information resource for practitioners of the Secondary Ion Mass Spectrometry (SIMS) - [e]

Sociedad Española de Espectrometría de Masas
SEEM - [es]

Société Française de Spectrométrie de Masse
CJSM - [f]

South African Association for Mass Spectrometry
ASSMS - [e]

Spanish Society for Mass Spectrometry
S. E. E. M. - - [es, e]

Swedish Mass Spectrometry Society
SMSS is a national organisation with the goal to favour research, education and propagation of mass spectrometric techniques in a broad sense - [e]

Swiss Group for Mass Spectrometry
SGMS - [e]

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Mass Spectrometry
Mass Spectrometry, basics, information, applications, theory, research
16.01.2011 00:00:00 [link check]
11.05.2011 [site update]

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Related Books and Scientific Literature: Mass Spectrometry:


Edmond de Hoffmann, Vincent Stroobant

Mass Spectrometry: Principles and Applications

The latest edition of a highly successful textbook, Mass Spectrometry, Third Edition provides students with a complete overview of the principles, theories and key applications of modern mass spectrometry. All instrumental aspects of mass spectrometry are clearly and concisely described: sources, analysers and detectors. Tandem mass spectrometry is introduced early on and then developed in more detail in a later chapter. Emphasis is placed throughout the text on optimal utilisation conditions. Various fragmentation patterns are described together with analytical information that derives from the mass spectra.

This new edition has been thoroughly revised and updated and has been redesigned to give the book a more contemporary look. As with previous editions it contains numerous examples, references and a series of exercises of increasing difficulty to encourage student understanding. Updates include: Increased coverage of MALDI and ESI, more detailed description of time of flight spectrometers, new material on isotope ratio mass spectrometry, and an expanded range of applications.

Mass Spectrometry, Third Edition is an invaluable resource for all undergraduate and postgraduate students using this technique in departments of chemistry, biochemistry, medicine, pharmacology, agriculture, material science and food science. It is also of interest for researchers looking for an overview of the latest techniques and developments.

Wiley-Interscience; 2007


Jürgen H. Gross

Mass Spectrometry: A Textbook

This book is tailored for students and professionals as well as novices from other fields to mass spectrometry. It will guide them from the basics to the successful application of mass spectrometry in their daily research. Starting from the very principles of gas-phase ion chemistry and isotopic properties, it leads through the design of mass analyzers and ionization methods in use to mass spectral interpretation and coupling techniques. Step by step the readers will learn how mass spectrometry works and what it can do as a powerful tool in their hands. The book comprises a balanced mixture of practice-oriented information and theoretical background. The clear layout, a wealth of high-quality figures and a database of exercises and solutions, accessible via the publishers web site, support teaching and learning.

Springer; 2006

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