Mass Spectrometry Database Committee
American Academy of Forensic Sciences, Toxicology Section
This 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. The first version of this library contained about 1500 entries. A separate library of metabolites, endogenous compounds and artifacts is under construction, but may be 1-2 years from completion of the first draft (it's an incredibly time consuming process!!).
'Comprehensive' Drug Library
This is a compilation of over 1700 pure drug spectra including many replicate entries. This drug library contains spectra for several hundred different substances. The current version of full spectra was last updated January 2000.
Newer Drug Spectra
The latest version of the mini-library of full mass spectra of newer drugs, metabolites and some breakdown products was created January 2000. An alphabetical list of the entries is given.
Who to Contact
For more information about these Web pages and the data referenced therein, or about the inter-conversion of mass spectral library data, contact Dr. Graham Jones, Chief Toxicologist, Office of the Chief Medical Examiner, Edmonton, Alberta, Canada: firstname.lastname@example.org., or, Dr. Barry Logan, Director, Washington State Toxicology Laboratory in Seattle, Washington, USA: email@example.com.
The current library is aafsdrug.zip. Click on the file name to download. This file consists of the component files of this library, compressed with the utility pkzip, into a single "zip" file. This saves space and allows a shorter, easier download than if the individual uncompressed files were available. A list of entries can be downloaded separately as an MS Excel v. 4 spreadsheet file that can be viewed with most spreadsheet and many database programs.
Libraries made available by the committee primarily designed to be compatible with HP 5970/71/72/73 series instruments that have PC-based DOS/Windows ChemStation operating systems. See the Software Compatibility page for a fuller discussion and the availability of libraries translated for other mass spectrometers.
Spectra Online,Galactic (红外谱图)
美国质谱学会 (ASMS, American Association for Mass Spectrometry)
Summary by 李晓霞 on 2000-04-20
Last updated by 杨宏伟 on 2001-02-16