SWGDRUG Mass Spectral Library:
SWGDRUG has compiled a mass spectral library from a variety of sources, containing drugs and drug-related compounds. All spectra were collected using electron impact mass spectrometry systems. This library is available for download from this website.

For updates on when the library is updated, follow us on Twitter.

DISCLAIMER: Although SWGDRUG makes an effort to review the accuracy of spectra prior to entry, this library should only be used as an analytical tool. SWGDRUG recommends the use of traceable reference materials to support identifications of drugs ( Part IV A – Quality Assurance Section 6.1.6 ). SWGDRUG provides monographs, which contain authenticated spectra that are intended to be used for the verification of acquired reference materials. Lastly, SWGDRUG is absolved from any liability resulting from the use or misuse of the library.

The SWGDRUG library is supported by the NIST MSSEARCH program, which is available on-line at no charge (see below). Additionally, the library was converted to Agilent Technologies format. Lastly, two raw data formats are included below depending upon your desired application. Click on the appropriate link below to download the compressed file and follow the instructions below.

SWGDRUG MS Library Version 3.1 (November 29, 2016):
NIST Format
 
Agilent Format
 
JCAMP Format (.hpj)
 
Shimadzu Format
 
Thermo Format
 
Changelog
 
Compound List
 
Formula and Exact Mass List
 

Instructions for Installation and Use (NIST Format):

To download and install the NIST MSSEARCH program, please go to:

If no previous version installed:

http://chemdata.nist.gov/mass-spc/ms-search/downloads/NISTDEMO_08.exe

If previous version is installed, upgrade using this link:

http://chemdata.nist.gov/mass-spc/ms-search/downloads/NIST08_Software_Update.exe

Once the search program is installed, extract the SWGDRUG library compressed file and copy it into one of the following directories within the search program files:

  • C:/NIST08/MSSEARCH (if you installed the upgrade)
  • C:/NISTDEMO/MSSEARCH (if you installed the full version)

To make the library available for searching, it must be selected within the NIST MSSEARCH program using the following steps:

  • Select "Options",
  • Select "Library Search Options",
  • Select the "Libraries" tab.
  • Highlight the SWGDRUG library from the list of available libraries
  • Click the arrow in the middle of the screen to add it to selected libraries.

For additional guidance on the capabilities of the program, view NIST MSSEARCH help documents.

Frequently Asked Questions

How many spectra are in this library?

Currently, there are approximately 2583 spectra in the library (November 29, 2016).

How often will the library be updated?

This library will be updated on a regular basis. This will allow for the sharing of spectra for new and emerging drugs.

Where did the spectra come from?

Contributors to the library are cited in the "comments" section for each entry. Current contributors are listed below:

  • DEA = Drug Enforcement Administration, SWL = Southwest Laboratory, SCL = South Central Laboratory, WRL = Western Laboratory, SFL1 = Special Testing and Research Laboratory
  • AAFS = American Academy of Forensic Scientists (provided by Dr. Graham Jones, Graham.Jones@gov.ab.ca )
  • ENFSI/DWG = European Network of Forensic Science Institutes / Drugs Working Group
  • Jason Nawyn = US Army Forensic Chemist Jason Nawyn, jason.nawyn@us.army.mil )
  • QHFSS = Queensland Health Forensic and Scientific Services
  • www.caymanchem.com = Cayman Chemical
  • ForensicDB = RTI International/ForensicDB
  • Broward Sheriff Office = Broward County, Florida Sheriff Office

Can I submit spectra for inclusion?

Yes, SWGDRUG is open to accepting contributions from the forensic community. If you have a new drug or drug-related compound that is not in this library and would like to contribute the spectrum, please email swgdrug@hotmail.com to obtain instructions for submission. Instructions for emailing the file will differ based on instrument format.

SWGDRUG takes no responsibility for the validity of the submitted library entries. The onus is on the submitter to provide some verification information prior to inclusion into the library.

Which instruments are compatible with this library?

The NIST MSSEARCH program is compatible with instruments from all major manufacturers. Many manufacturers include a version of this program with the instruments; however instructions for searching the spectra are manufacturer dependent.

How can I make sure that I have the most current version of the library?

Visit www.swgdrug.org to get latest library updates. The current revision number and date is clearly indicated on the website. Each revision will need to be downloaded and installed prior to use.

Last Update January 2017

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Designed by: Scott Oulton
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