| ★NIST Chemistry WebBook |
| The November 1998 release of The NIST WebBook is the fifth edition of the NIST Chemistry WebBook |
| ★BioMagResBank (BMRB) |
| BioMagResBank (BMRB) is the publicly-accessible depository for NMR results from peptides, proteins, and nucleic acids recognized by the International Society of Magnetic Resonance and by the IUPAC-IUBMB-IUPAB Inter-Union Task Group on the Standardization of Data Bases of Protein and Nucleic Acid Structures Determined by NMR Spectroscopy |
| ★ChemExper CDD |
| The database contains currently more than 70 000 chemicals, 16000 MSDS, 5000 IR spectra and more than 20 suppliers. |
| ★SDBS: NIMC |
| SDBS is an integrated spectral database system for organic compounds, which includes 6 different types of spectra under a directory database of the compounds. |
| ★owBase (Powder Patterns Database) |
| PowBase is a "minimum database of constant wavelength powder patterns. |
| ★(Kelvin, Dalton, Angstrom) JST |
| This is an experimental distribution of Japan Science and Technology Corporation. |
| ★Aldrich Spectral Viewer (FT-IR、FT-NMR ) |
| The Aldrich Spectral Viewer is an electronic reference book on CD-ROM that contains thousands of actual spectra from the Aldrich spectral libraries. |
| ★EPA spectral database |
| The Clean Air Act Amendments (CAAA) was published in November 1990. |
| ★HaveItAll IR(Sadtler IR) |
| With HaveItAll IR, now you can have all the infrared data you've always wanted. |
| ★KnowItAll Informatics System 2.0 |
| HaveItAll IR puts the world's largest infrared spectral collection of over 220,000 spectra of pure organic and commercial compounds all on one CD for secure searching from your desktop. |
| ★Wiley Registry of Mass Spectral Data, 7th Edition |
| The 7th edition of the Wiley Registry of Mass Spectral Data is an expansion of the 6th Edition reference library by over 110,000 new chemical spectra. |
| ★ChemWeb.com Chapman & Hall/CRC Properties of Organic Compounds |
| The Properties of Organic Compounds, version 5.0, is a single source of physical property and spectral data for approximately 27,500 organic compounds. |
| ★NIST(ASD) |
| The Atomic Spectra Database (ASD) contains data for radiative transitions and energy levels in atoms and atomic ions. |
| ★Absorption or Emission spectra of elements from the University of Oregon |
| Absorption or Emission spectra of elements from the University of Oregon. Select an element from the Periodic Table, and it will show either the absorption or emission spectrum. |
| ★ACD/I-Lab (NMR) |
| ACD/I-Lab is an Internet-based service for instant access to chemical databases and property predictions programs. |
| ★NMR of ACD/Labs |
| The ACD/Labs Spectroscopy Databases are structure-searchable databases providing a source of experimentally-referenced NMR data. |
| ★ACD/Web Librarian |
| The Public Chromatography Applications Database under ACD/Web Librarian contains applications provided by Agilent, Alltech, Eprogen (Eichrom), GL Sciences, Hamilton, Argonaut (Jones Chromatography), Polymer Laboratories, and Regis. |
| ★AntiBase |
| The complete database of all known (approximately 30,000) natural compounds from micro-organisms and higher fungi. |
| ★Atomic Line List |
| This is a compilation of approximately 923,000 allowed, intercombination and forbidden atomic transitions with wavelengths in the range from 0.5 to 1000 μm. It's primary intention is to allow the identification of observed atomic absorption or emission features. |
| ★ECDYBASE (The Ecdysone Handbook) |
| he " Ecdysone Handbook was originally created by René Lafont and Ian D. Wilson and published in 1992 by the Chromatographic Society (Nottingham, U.K.). |
| ★Elemental Data Index |
| The Elemental Data Index provides access to the holdings of NIST Physics Laboratory online data organized by element. |
| ★FBI FT-IR Fibers Library (Spectrochimica Acta) |
| This data is a collection of FT-IR spectra of fibers. These spectra were measured as part of an FBI project to determine the usefulness of FT-IR spectral library searching algorithms for identification of fibers. |
| ★FDM(FTIR) |
| Fiveash Data Management, Inc., 4926 Ascot Lane, Suite 1, Madison, WI 53711, USA |
| ★FT-IR Library of David Sullivan |
| These spectra were taken by David Sullivan from his research at UT-Austin |
| ★FTNMR Spectra in NUTSTM Format |
| The FTNMR FID archive (see below) lists a number of 13C, 1H, and APT free induction decay files in Nuts format (a Windows NMR off-line data processing program). |
| ★Handbook of Fluorescent Probes and Research Chemicals |
| The Handbook of Fluorescent Probes and Research Chemicals contains up-to-date background and technical information on Molecular Probes' complete product line. |
| ★Indiana Dynamics Database (IDD) |
| The purpose of this database is to collect and analyze NMR derived dynamics parameters for biomolecules. |
| ★Marinlit |
| Marinlit is a database of the marine natural products literature. |
| ★MOlecular GAsphase DOCumentation (MOGADOC) |
| a powerful tool for scientists all over the world to retrieve information about gas phase investigations. |
| ★NIST/EPA/NIH Mass Spectral Library |
| The NIST/EPA/NIH Mass Spectral Library is the product of a multiyear, comprehensive evaluation and expansion of the world's more widely used mass spectral reference library. |
| ★NIST/EPA/NIH |
| This database is the product of a multiyear, comprehensive evaluation and expansion of the world's most widely used mass spectral reference library. |
| ★Sadtler Spectral Handbooks(Sadtler) |
| The Sadtler Standard GC Retention Index Library |
| ★Sadtler |
| Bio-Rad's Informatics Division has the world's largest collection of IR data in the world of over 220,000 spectra of pure organic and commercial compounds |
| ★science-softCon UV/Vis Spectra Data Base |
| The science-softCon UV/Vis Spectra Data Base service was established in August 2000 and is subdivided into a Literature Service and a Spectra Service (see spectra-info). |
| ★Spectra Heap |
| Spectra Heap's main function includes |
| ★Spectra Online,Galactic |
| FTIRsearch.com is a unique web site dedicated to providing analytical chemists with on-line access to high quality FTIR and Raman spectral libraries |
| ★SweeT-DB |
| SweeT-DB is the main glycosciences data base which allows glycoscientists to find important data for the compound of interest in a compact and well-structured representation. |
| ★Proton NMR、GC-EIMS |
| This Data Base consists of a searchable table of the 1H-NMR chemical shifts of xyloglucan oligoglycosyl alditols. |
| ★FTIR、（FTIRsearch.com) |
| FTIRsearch.com is a unique web site dedicated to providing analytical chemists with on-line access to high quality FTIR and Raman spectral libraries. |
| ★Collection of mass spectra of Volatile Organic Compound |
| Mass Spectra were acquired in EI mode with a Saturn 2000 Ion Trap in the range m/z 40-400. |
| ★Mass Spectrometry Bulletin |
| ★NIST |
| Spectral data is available for the 121 diatomic molecules |
| ★Reciprocal Net |
| The Reciprocal Net is a distributed database used by research crystallographers to store information about molecular structures. |
| ★Organic Structure Elucidation |
| This online workbook has been developed for senior undergraduate and graduate students learning to solve the structures of organic compounds from spectroscopic data. |
| ★Mossbauer Effect Reference Database |
| The Mossbauer Effect Reference Database is a machine-readable version of the bibliographical information published in the Mossbauer Effect Reference And Data Journal. |
| ★Mass Spectrometry and Biotechnology Resource |
| Provides reference materials for scientists working with mass spectrometry in the biotechnology industry. |
| ★SPECARB (Raman Spectra of Carbohydrates) |
| SPECARB is an experimental database containing Raman spectra of carbohydrates. |
| ★Optical Databases Download Page |
| Here you will find collections of spectra, each contained in SpecManager databases for optical spectroscopy. |
| ★CDS (Chemical Database Service) |
| The Chemical Database Service (CDS) provides on-line access to a variety of quality databases in the field of Chemistry, plus support, training and advice. |
| ★Organic Compounds Database, Virginia Tech |
| This 2483 compound database has been compiled by Harold M. Bell at Virginia Tech. |
| ★Mass Spectrometry Database,American Academy of Forensic Sciences |
| his library is a "subset of one that has been compiled over a period of many years by Dr. Graham Jones and colleagues in Edmonton, Alberta, Canada. Pure drug spectra, plus a few breakdown products and pure metabolite standards have been edited into a single library. |
| ★Bio-Rad |
| With this new platform, users now have the option to access KnowItAllspectral databases via the Internet rather than installing the data on their own computers. |
