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Spectral databases


 
Spectral databases

List of online available stectral databases for all kinds of spectroscopic techniques: NMR, IR, UV/VIS, Raman, Atomic, ESR etc.

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



[Det]

Details


Additional Absorbance Spectra
By CAS number, chemical name or chemical symbol. EPA - [USA > e]

AEDC Calculated Spectra
THe database was established as a means of archiving and dissemination of spectra and spectroscopic data of species of interest to the pollution monitoring and gas diagnostics community. EPA - [USA > e]

AEDC Measured Spectra
The database was established as a means of archiving and dissemination of spectra and spectroscopic data of species of interest to the pollution monitoring and gas diagnostics community. EPA - [USA > e]

ASTER spectral library
A compilation of almost 2000 spectra of natural and man made materials. - [USA > e]

Atomic Spectra Database
Standard Reference Database #78. The spectroscopic data may be selected and displayed according to wavelengths or energy levels. NIST - [USA > e]

Atomic Spectral Line Broadening Bibliographic Database
... contains references to publications that include numerical data, general information, comments, and reviews on atomic line broadening and shifts. NIST (USA) [e]. NIST - [USA > e]

Atomic spectral line database
Kurucz Atomic Line Database. Harvard - [USA > e]

Atomic Spectroscopic Data
... contains critically evaluated NIST data for radiative transitions and energy levels in atoms and atomic ions. NIST - [USA > e]

Atomic Transition Probability Bibliographic Database
... contains references to publications that include numerical data, comments, and reviews on atomic transition probabilities (oscillator strengths, line strengths, or radiative lifetimes). NIST - [USA > e]

BioMagResBank - BMRB
A Repository for Data from NMR Spectroscopy on Proteins, Peptides, and Nucleic Acids. University of Wisconsin - [USA > e]

CHIANTI
An Atomic Database for Spectroscopic Diagnostics of Astrophysical Plasmas - [UK > e]

Cologne Database for Molecular Spectroscopy
The files in the Entries section contain predictions for atoms and molecules of astrophysical and atmospheric interest as well as some documentation on which data have been used for the predictions. CDMS - [D > e]

ComSpec3D
... stands for Computed Spectral Data 3D-Visualization and is an online service for the calculation and visualization of Infrared and Raman spectra and their corresponding normal modes - [D > e]

Cosmic Ice Laboratory
Infrared Spectral Database. The spectra are used to identify products of chemical reactions in ices found in the Solar System and the interstellar medium. NASA - [USA > e]

Diatomic Spectral Database
These tables represent the first part of a series of critical reviews on the microwave spectra of molecules. NIST - [USA > e]

Drug Standards Infrared Spectral Library
Infrared Spectral Library of Controlled and Non-Controlled Drug Standards Using Internal Reflection Spectroscopy - [USA > e]

EPA - TTN EMC - Spectral Database
This database was established as a means of archiving and dissemination of spectra and spectroscopic data of species of interest to the pollution monitoring and gas diagnostics community. EPA - [USA > e]

EPA Reference Absorbance Spectra
The spectra listed here were created from the interferograms in the EPA Reference Spectra Interferogram section - [USA > e]

EPA Reference Spectra Interferograms
Listed below are the interferograms from which the EPA Reference Absorbance Spectra were created - [USA > e]

FDM Reference Spectra Databases
Infrared, Mass, NIR and Raman spectra, and search software, for your laboratory, library or office - [USA > e]

Fluorescent spectra
An Interactive Exploratory Database - [USA > e]

FTIRsearch.com
... is a unique web site dedicated to providing analytical chemists with on-line access to high quality FTIR and Raman spectral libraries - [USA > e]

Gases
IR-Spectra of Gases. Ansyco - [D > d]

GC-EIMS of Partially Methylated Alditol Acetates
CCRC Spectral Databases - [USA > e]

GEISA spectroscopic database
Management and Study of Atmospheric Spectroscopic Information - [FR > e]

Hydrocarbon Spectral Data
Two types of tables are presented for each molecular species. The first tables contain the derived molecular constants for each isotopic form which has been studied, and the table following these constant tables contains the observed microwave spectral transition frequencies for all isotopic forms and vibrational states for which data are available.. NIST - [USA > e]

Ice analogs database
This database contains the infrared spectra of laboratory analogs of interstellar ices - [NL > e]

Infrared Spectra of paints and coatings
In this page a selection of IR spectra of various paint and coating materials registered at UT Testing Centre and UT Department of Chemistry can be found - [EE > e]

IRSLDB
Infrared and Raman Spectroscopy Literature Database - [JP > e]

Mass spectral databases
Simple search of mass spectral databases - [D > e]

Metlin
The Metabolite Database is a repository for mass spectral metabolite data. All metabolites are neutral or free acids. Scripps - [USA > e]

Microwaves - Molecular Spectral Databases
Each of the databases covers primarily the microwave region with some data available for the radio frequency region. NIST - [USA > e]

Minerals Raman Spectra Database
The database allows users to search for spectra by mineral name or vibration - [IT > e]

MOGADOC
Molecular Gasphase Documentation - [D > e]

Molecular Spectral Databases
Three databases of diatomic, triatomic, and hydrocarbon molecules. NIST - [USA > e]

Molecular Spectral Databases - References Search
The search covers many types of molecules, including diatomics, triatomics, and hydrocarbons. NIST - [USA > e]

mslib - Mass Spectrometry Database Committee
The committee was set up to coordinate the generation of reliable mass spectra of new drugs and metabolite standards, and to make these available to the profession on a timely basis - [USA > e]

NIST Chemistry WebBook
NIST Standard Reference Database Number 69 - [USA > e]

Northwest-Infrared
Vapor phase infrared spectral library - [USA > e]

Optical Properties Spectra
. OMLC - [USA > e]

Photochemistry Database
Science-softCon UV/Vis Spectra Data Base - [D > e]

pH-spectra Database
Theoprax-Research - [GR > e]

Polymer Science Learning Center Spectral Database
PSLC Spectral Database - [USA > e]

Raman Spectra Database of Minerals and Inorganic Materials
RASMIN. AIST - [JP > e]

Raman Spectra of Carbohydrates
SPECARB is an experimental database containing Raman spectra of carbohydrates. It is intended to contain solid state Raman spectra of carbohydrates from the monomers and their derivatives to complex polysaccharides - [DK > e]

Raman spectra of minerals
195 spectra - The Raman spectra were taken on natural crystals in random orientation using a Jobin-Yvon LABRAM micro-Raman apparatus - [IT > e]

Raman Spectroscopic Library of Natural and Synthetic Pigments
. UCL - [UK > e]

SDBS
Integrated Spectral Data Base System for Organic Compounds. AIST - [JP > e]

SPECINFO
... contains spectral data for a representative section of organic chemistry, including organometallic substances. For each compound, NMR, IR, and/or mass spectra are given. CAS - [USA > e]

SpecInfo on the Internet
. Wiley - [e]

Spectra Online
The spectra in this free database are comprised of collections of public domain and other data generously submitted by various institutions and individuals. The database spans many different classes of compounds including drugs, common chemicals, polymers, petroleum products among others. Thermo Scientific - [USA > e]

Spectroscopic Databases
NMR Databases; MS Databases; UV-Vis & IR Databases. ACD Labs - [USA > e]

Spectroscopic Tools
- [D > d, e]

Spektroskopie online
. University of Potsdam - [D > d, e]

SUGABASE
... is a carbohydrate-NMR database that combines CarbBank Complex Carbohydrate Structure Data (CCSD) with proton and carbon chemical shift values - [NL > e]

The FTNMR Free Induction Decay Archive
In this archive you will find 1H and 13C NMR free induction decay (FID) files of small organic molecules - [USA > e]

THz Spectral Database
. NIST - [USA > e]

Triatomic Spectral Database
. NIST - [USA > e]

USGS Digital Spectral Library
Spectra of minerals, mixtures, artificial, liquids and volatiles and vegetation, each with documentation - [USA > e]

X-ray Photoelectron Spectroscopy Database
The NIST X-ray Photoelectron Spectroscopy (XPS) Database gives easy access to the energies of many photoelectron and Auger-electron spectral lines - [USA > e]

Xyloglucan Oligosaccharide NMR Database
CCRC Spectral Databases - [USA > e]






 


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Entries:

61

Update:

03.11.2008

Link check:

23.10.2008 00:00:00

Site topic:

Spectral databases

Keywords:

Spectral databases, chemistry, spectroscopy


Related Books and Scientific Literature: Spectral databases:


Manfred Hesse, Herbert Meier, Bernd Zeeh, and Richard Dunmur

Spectroscopic Methods in Organic Chemistry

Spectroscopic Methods in Organic Chemistry covers all aspects of modern spectroscopic methodology. It provides the necessary equipment for the application of spectroscopic methods in organic chemistry, as required as part of chemistry courses in all universities. The following methods are explained and examples given: UV/Vis Spectroscopy, derivative Spectroscopy, chirooptical methods CD and ORD, aggregated molecules, charge transfer complexes, conjugated oligomers Infrared (IR) and Raman Spectroscopy, Fourier transform IR spectroscopy, and GC/IR combination methods and more.

The layout and many tables help to introduce the reader to spectroscopy. The extensive and thorough approach makes the text the first choice both as a companion for the professional chemists and as a refresher course in practical spectroscopy.

Thieme; 2007


Dudley Williams, Ian Fleming

Spectroscopic Methods in Organic Chemistry

This book concentrates on the practical aspects of using spectroscopic techniques to solve structural problems. It is written at a level for an advanced undergraduate or graduate course in applied spectroscopy. It describes the uses of the four spectroscopic methods: UV, IR, NMR and Mass Spectra in organic chemistry.

McGraw Hill Higher Education; 2007


Friedrich Siebert, Peter Hildebrandt

Vibrational Spectroscopy in Life Science

The authors describe basic theoretical concepts of vibrational spectroscopy, address instrumental aspects and experimental procedures, and discuss experimental and theoretical methods for interpreting vibrational spectra. It is shown how vibrational spectroscopy provides information on general aspects of proteins, such as structure, dynamics, and protein folding. In addition, the authors use selected examples to demonstrate the application of Raman and IR spectroscopy to specific biological systems, such as metalloproteins, and photoreceptors. Throughout, references to extensive mathematical and physical aspects, involved biochemical features, and aspects of molecular biology are set in boxes for easier reading.

Wiley-VCH; 2008


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