American Academy of Forensic Sciences,
Toxicology Section
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.
Libraries made available by
the committee primarily designed to be compatible with Agilent (HP)
5970/71/72/73/75 series instruments that have PC-based DOS/Windows ChemStation
operating systems. See the Software
Compatibility page for a fuller discussion.
Note: that the AAFS Drug
Library used to be posted in other manufacturer’s formats. This is a fair
amount of work, and it is not clear how many users require this. If you would like the library in another
(non-Agilent/HP) format, please contact Dr.
The latest version of the
mini-library of full mass spectra of newer drugs, metabolites and
some breakdown products was created January 2010. An alphabetical list of the entries is
given.
Acknowledgments: "Thank you" to Dr. Ruth
Winecker (Office of the Chief Medical Examiner, Chapel Hill, NC), Dr. Sarah
Kerrigan (
This is a compilation of
over 2700 pure drug
spectra and/or GC breakdown products, including many replicate entries.
This drug library contains spectra for several hundred different substances.
The current version of the full spectra library was last
updated January 2010.
Also New for
2010!!
It is an unfortunate fact
that unless a back-extraction is performed, extracts of most postmortem blood samples contain a myriad of fats and artifacts. To
help clearly label these and differentiate them from potential drug spectra,
several dozen fatty acid and phthalate spectra have been added to the 2010
version – these spectra are derived from pure standards. In addition, several dozen “artifact” spectra have been included – these are
largely derived from dilute extracts of silicone rubber septa. Although these are not included in the
original mandate of the committee, some of us have found their inclusion
useful. Your feedback is welcome.
For more information about
these Web pages and the data referenced therein, or about the inter-conversion
of mass spectral library data, contact Dr.
Disclaimer
The information and data
contained within, or otherwise made available via within these Web pages is
offered freely for the information and assistance of forensic toxicologists and
allied professions. While every care has been taken to avoid
errors, neither the committee, nor the Toxicology Section of the AAFS,
will be held liable for the consequences of any errors which may have been
overlooked. It is the responsibility of any end-user of the information,
regardless of profession, to ensure that decisions regarding the final
identification of drugs or their metabolites are independently verified.
However, we would be grateful
if any errors discovered could be brought to our attention, so that they may be
corrected.
This file was last updated
February 2, 2010