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SIRCh: Analytical Chemistry(Constitutional Chemistry)

For lecture notes on this topic, see Chemical Information Sources Wikibook

As of 1 January 2007, this page is no longer updated at this site. Consult the SIRCh Wiki to find a version that is being maintained.

Page Contents:

Spectral Sources
Crystallography Sources
Structural Databases: Biomolecules
Miscellaneous Sources for Analytical Chemistry
Printed Sources for Analytical Chemistry

Spectral Sources

• Finding authentic chemical spectra (IR, NMR, UV) in the Purdue University Libraries by Song Yu
• SDBS Integrated Spectral Data Base for Organic Compounds
• Spectroscopic Tools at the University of Potsdam
• M S Links at Scientific Information Services
• i-mass.com
• LaSurface AES/XPS Database
• FTIRsearch.com
• FT-NMR Spectra in NUTS Format
• FTNMR FID (Free Induction Delay) Archive
• NMR Information Server at the University of Florida
• MAG-NET: Molecular Spectroscopy Lab
• SUGABASE HTML version (CarbBank plus proton and carbon chemical shift values)
• SUGABASE JAVA version (CarbBank plus proton and carbon chemical shift values)
• Database of Core Edge (Inner Shell) Excitation Spectra of Gas-Phase Atoms and Molecules
• STDB Spin Trap and Magnetic Resonance Database (NIEHS)
• Electron Magnetic Resonance (EMR) at Bristol
• Other Spectroscopy and Remote Sensing Applications via ASD (Analytical Spectral Devices, Inc.)
• IRUG Spectral Database
• Photochem CAD Spectra by Category
• NMRShiftDB
• ComSpec 3D (IR/Raman spectra; requires VRML

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Crystallographic Sources

• ALB Crystallography Search Engine
• Indiana University Molecular Structure Center
• IUCr Crystallographic Information File (CIF)
• Cambridge Crystallographic Data Centre
• Cambridge Structural Database (CSD) Documentation
• PowBase Powder Patterns Database
• FACTrio Angstrom Crystal Structure Database
• Information Server for Crystallography: SINCRIS
• Protein Crystallographers Using Photon Factory (Japan)
• Atomic Scattering Factors for the Elements
• Interactive Crystallography (Requires Xmaple and HTML forms)
• COD: Crystallography Open Database

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Structural Databases: Biological Molecules

(See also: Biomolecular Sequence and Structure Searching)

Amino Acids, Peptides, and Proteins: Structural Databases

• The NCBI WWW Entrez Browser
• 3-D Structure of Amino Acids (Charles Earley, Kent State University Stark Campus)
• Amino Acids at the Free University of Berlin
• Protein Data Bank
• Molecules RUS (forms search of the Protein Data Bank)
• SCOP Structural Classification of Proteins
• Search the OWL Database (a Protein Sequence Database with entries from: SWISSPROT, PIR(1-3), GenBank Translations, and NRL_3D)
• Bioinformatics at the Kennedy Krieger Institute and the Johns Hopkins University
• Search the NRL_3D Database (3D Structures from the Protein Data Bank)
• Searching and Retrieving from PIR Databases
• BiomagResBank (NMR chemical shifts from proteins and peptides)
  

Nucleic Acids: Sequence and Structural Databases

• The NCBI WWW Entrez Browser
• GenBank (a Genetic Sequence Database with All Known DNA Sequences from NCBI, the National Center for Biotechnology Information)
• The Nucleic Acid Database at Rutgers
  

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Miscellaneous Sources for Analytical Chemistry

• Little Encyclopedia of Mass Spectrometry
• spectroscopyNOW.com
• www.chemometrics.net
• Chromatography Home
• Current Protocols Online resource for publications on laboratory methods in genetics, protein science, immunology, biochemistry, molecular biology research, and more.
• NIOSH Manual of Analytical Methods (NMAM)
• ACS LabGuide Directory
• Reagent Chemicals, 8th Edition Supplement
• LIMSource
• Chemical Concepts (Software)
• Fiveash Data Management Spectra Software
• CHIRBASE Molecular Database for Chiral chromatography
• GDB (The Genome Database)
• Applied Spectroscopy - Journal Table of Contents and Searchable Index, January 1994-
• Society for Applied Spectroscopy
• Encyclopedia of Analytical Instrumentation
• Electrochemical Science and Technology Information Resource
• Solv-DB (Solvent Data)
• LIPIDAT (thermodynamic and associated information on lipid mesophase and crystal polymorphic transitions, mainly glycero- and sphingolipids)
• Free Online Chromatography Books (by Dr. R.P.W. Scott)
• Mass Spectrometry Database Committee (American Academy of Forensic Sciences, Toxicology Section)

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Printed Sources for Analytical Chemistry Information

• Analytical Chemistry (Constitutional Chemistry) - Useful Guides and Handouts (IU Chemistry Library, Bloomington)