Mass Spectrometry Database Committee

American Academy of Forensic Sciences, Toxicology Section

2012 UPDATE!     Short-cut to download page.


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.

Software Compatibility

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. Graham Jones (see below).

Newer Drug Spectra

The latest version of the mini-library of full mass spectra of newer drugs, metabolites and some breakdown products was created December 2012. An alphabetical list of the entries is given.

Acknowledgments: To my supervising technologist, Karen Roebuck, for preparing and running the standards by GC/MS.

'Comprehensive' Drug Library

This is a compilation of over 2800 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 December 2012.

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:


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 December 20, 2012