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Chemistry/Toxicology

Name Subdiscipline Maintained By Overview & Contents Access & Fees Collection Methods Evidence Type POC
Agilent Technologies- Synthetic Drugs Spectral Library Agilent Technolgies (Commercial) Synthetic drug library. Mass spectral data on synthetic cannabinoids and other drugs. Database in on the Agilent GC-MSs and is accessed through the instrument. Digital access through analytical instrumentation and hardcopies.   Digital records. Thomas J. Gluodenis, Jr., Ph.D. 
Forensic & Toxicology Marketing Manager
Agilent Technologies
Aldrich® Spectral Viewer™ Spectral Library Sigma-Aldrich Co. (commercial) Electronic reference book on a CD-ROM that contains thousands of spectra from the Aldrich spectral libraries. The Viewer allows text and data field searching, and the manipulation, printing, and exporting of spectra. A single user interface handles I R, NMR, and ATR-IR spectra, simplifying the use of the software. The Spectral Viewer™ comes with 11,800 compounds. Other Aldrich libraries available for purchase that can be added to the Spectral Viewer™ include: one FTIR library (over 11,000 compounds), two FT-NMR libraries (over 15,000 compounds), and one ATR-IR library (over 18,000 compounds). The Spectral Viewer™ has a single user interface that handles IR, NMR, and ATR-IR spectra. The Spectral Viewer™ can be purchased online through the URL. Additional libraries can be purchased online and added to the Spectral Viewer™ software.  $3575 for the Spectral Viewer™. Other software licensing agreements and libraries are also available at varied prices. (For the libraries) Spectra were collected in accordance with each libraries' specifications, which are available at the product listings online. (For the libraries) Digital records stored on the CD. A majority of compounds are available for purchase from Sigma Aldrich (not from the original lot, match IR in 95%). Dan Bess
Sigma-Aldrich Co.
1.800.325.5832
Dan.bess@
sial.com
Cerilliant SRMs Reference Materials/ Standards Cerilliant Corporation, a subsidiary of Sigma-Aldrich Co. (commercial) A Sigma-Aldrich company that produces standard reference materials. Cerilliant focuses specifically on certified standards and has a wide range of standards available for sale. 3,000 reference materials. Standard reference materials can be searched and purchased on the website. Cost varies by product; must have or create an account with Cerilliant. Samples are manufactured by Cerilliant. Cerilliant is ISO Guide 34, ISO/IEC 17025, and ISO 9001:2008 certified. Further information on each reference standard is available through its material safety data sheet (MSDS). Physical samples are available for purchase through the online catalog. Dan Bess
Sigma-Aldrich Co.
1.800.325.5832
Dan.bess@
sial.com
ChemBio
Finder.
com
Drug Lookup Cambridge Soft A free online commercial chemistry and biology reference tool that searches multiple scientific databases. Hits based on chemical name, chemical abstract service (CAS), registry number, molecular formula, structure, or weight. Search results provide the name, molecular formula and weight, CAS Registry Number, SMILES and InChI and InChIKey strings for the compound, and a hyperlink to a detailed record of the compound in one or more of the databases. ChemBio Finder.com searches hundreds of thousands of records. Access through the URL. Search for compounds by name, CAS Registry Number, molecular formula or weight, InChIKey, or by structure (exact and substructure). Search results show the ChemBioFinder databases which have entries for the compound(s), and indicate the databases to which the logged in user has active subscriptions. Users of ChemBioFinder.
com are allowed 5 free searches before they must register with CambridgeSoft.
com as a website user. Subscriptions to the different databases vary in cost.
Information is contributed by the independent databases ChemBioFinder.
com searches.
ChemBioFinder.
com searches a list of databases that contain digital records of chemical compounds. A search of the sourcing databases (ChemACX) helps users locate physical samples for purchase.
Tim Shea, Sales
201.787.4692
Tim.shea@
perkinelmer.
com
Clarke's Analysis of Drugs & Poisons (Book) 4th Edition Pharmaceutical Press (commercial; publishers) A hardcopy book containing chemical and analytical data of drugs. Parts two and three contain 2,111 drug and poison monographs detailing physical properties, analytical methods, pharmacokinetic data and toxicity data. Part four contains indexes to analytical data including all data for color tests, chromatography, ultraviolet spectrophotometry, infrared spectrometry, and mass spectrometry. Users can purchase a hardcopy through the URL. A copy costs $599 from Pharmaceutical Press's website. Written by over 40 international experts, the book also has an editorial advisory board of over 45 world-renowned scientists. Digital records in a hardcopy book. Pharmaceutical Press
c/o Martin P Hill Consulting
122 W 27th Street, 10th Fl
New York, NY 10001
212.933.1409
pharmpress@
mphconsult.com
DEA Logo Index Drug Lookup DEA Special Testing & Research Laboratory Database of known logos, active ingredients, and manufacturer and trade names for tablets and capsules. Over 30,000 known tablet and capsule logos. The database can be obtained by calling the Special Testing and Research Laboratory and requesting a copy of the logo index (contact the POC). There is no cost of the logo index. The DEA Special Testing and Research Laboratory compiles and distributes the logo index. Digital records. Edward Franzosa, Ph.D.
Drug Enforcement Administration
Special Testing and Research Laboratory
703.668.3300
DEA Mid-Atlantic Laboratory Controlled Substance Reference Collection Reference Materials/ Standards DEA Mid-Atlantic Laboratory Reference collection of controlled substances. The collection contains about 150 reference samples of controlled substances. Each sample is stored in accordance with manufacturer specifications.

Database may be accessed by contacting the point of contact listed and submitting a form 222 or digitally signed electronic order. Requests are evaluated on the merits of the request and portions of the reference materials may be distributed (only 10-20 milligrams under normal circumstances). All requests must be made in accordance with 21 CFR 1305.03 (available at http://www.
deadiversion.
usdoj.gov/
21cfr/cfr/
1305/
1305_03.htm
) There is no cost to access. All organizations requesting samples must be registered with the DEA and provide service to a law enforcement agency.

Materials in this collection are purchased from chemical suppliers, synthesized by DEA chemists, or purified from materials seized in closed case work. Physical samples. Rashida Weathers
DEA Mid-Atlantic
Laboratory Director
301.583.3200
DEA North Central Laboratory Controlled Substance Reference Collection Reference Materials/ Standards DEA North Central Laboratory Reference collection of controlled substances. The collection contains about 500 reference samples of controlled substances. Each sample is stored in accordance with manufacturer specifications. Database may be accessed by contacting the point of contact listed and submitting a form 222 or digitally signed electronic order. Requests are evaluated on the merits of the request and portions of the reference materials may be distributed (only 10-20 milligrams undernormal circumstances). All requests must be made in accordance with 21 CFR 1305.03 (available at http://www.
deadiversion.
usdoj.gov/
21cfr/cfr/
1305/
1305_03.htm
) There is no cost to access. All organizations requesting samples must be registered with the DEA and provide service to a law enforcement agency.
Materials in this collection are purchased from chemical suppliers, synthesized by DEA chemists, or purified from materials seized in closed case work. Physical samples. Patricia Brown
DEA North Central Laboratory 
Laboratory Director
312.353.3640
DEA Northeast Laboratory Controlled Substance Reference Collection Reference Materials/ Standards DEA Northeast Laboratory Reference collection of controlled substances. The collection contains about 300 reference samples of controlled substances. Each sample is stored in accordance with manufacturer specifications. Database may be accessed by contacting the point of contact listed and submitting a form 222 or digitally signed electronic order. Requests are evaluated on the merits of there quest and portions of the reference materials may be distributed (only 10-20 milligrams undernormal circumstances). All requests must be made in accordance with 21 CFR 1305.03 (available at http://www.
deadiversion.
usdoj.gov/
21cfr/cfr/
1305/
1305_03.htm
) There is no cost to access. All organizations requesting samples must be registered with the DEA and provide service to a law enforcement agency.
Materials in this collection are purchased from chemical suppliers, synthesized by DEA chemists, or purified from materials seized in closed case work. Physical samples. Thomas Blackwell
DEA Northeast Laboratory
Director
212.620.3687
DEA South Central Laboratory Controlled Substance Reference Collection Reference Materials/ Standards DEA South Central Laboratory Reference collection of controlled substances. The collection contains about 250 reference samples of controlled substances. Each sample is stored in accordance with manufacturer specifications. Database may be accessed by contacting the point of contact listed and submitting a form 222 or digitally signed electronic order. Requests are evaluated on the merits of the request and portions of the reference materials may be distributed (only 10-20 milligrams under normal circumstances). All requests must be made in accordance with 21 CFR 1305.03 (available at http://www.
deadiversion.
usdoj.gov/
21cfr/cfr/
1305/
1305_03.htm
) There is no cost to access. All organizations requesting samples must be registered with the DEA and provide service to a law enforcement agency.
Materials in this collection are purchased from chemical suppliers, synthesized by DEA chemists, or purified from materials seized in closed case work. Physical samples. Darrell Davis
DEA South Central Laboratory 
Laboratory Director
972.559.7900
DEA Southeast Laboratory Controlled Substance Reference Collection Reference Materials/ Standards DEA Southeast Laboratory Reference collection of controlled substances. The collection contains about 100 reference samples of controlled substances. Each sample is stored in accordance with manufacturer specifications. Database may be accessed by contacting the point of contact listed and submitting a form 222 or digitally signed electronic order. Requests are evaluated on the merits of the request and portions of the reference materials may be distributed (only 10-20 milligrams under normal circumstances). All requests must be made in accordance with 21 CFR 1305.03 (available at http://www.
deadiversion.
usdoj.gov/
21cfr/cfr/
1305/
1305_03.htm
) There is no cost to access. All organizations requesting samples must be registered with the DEA and provide service to a law enforcement agency.
Materials in this collection are purchased from chemical suppliers, synthesized by DEA chemists, or purified from materials seized in closed case work. Physical samples. Bradley Campbell
DEA Southeast Laboratory
Laboratory Director
305.994.5120
DEA Southwest Laboratory Controlled Substance Reference Collection Reference Materials/ Standards DEA Southwest Laboratory Reference collection of controlled substances. The collection contains about 100 reference samples of controlled substances. Each sample is stored in accordance with manufacturer specifications. Database may be accessed by contacting the point of contact listed and submitting a form 222 or digitally signed electronic order. Requests are evaluated on the merits of the request and portions of the reference materials may be distributed (only 10-20 milligrams under normal circumstances). All requests must be made in accordance with 21 CFR 1305.03 (available at http://www.
deadiversion.
usdoj.gov/
21cfr/cfr/
1305/
1305_03.htm
) There is no cost to access. All organizations requesting samples must be registered with the DEA a nd provide service to a law enforcement agency.
Materials in this collection are purchased from chemical suppliers, synthesized by DEA chemists, or purified from materials seized in closed case work. Physical samples. James Malone
DEA Southwest Laboratory 
Laboratory Director
760.597.7900
DEA Special Testing and Research Laboratory Controlled Substance Reference Collection Reference Materials/ Standards DEA Special Testing and Research Laboratory Reference collection of controlled substances. The collection contains about 1500 reference samples of controlled substances. Each sample is stored in accordance with manufacturer specifications. Database may be accessed by contacting the point of contact listed and submitting a form 222 or digitally signed electronic order. Requests are evaluated on the merits of the request and portions of the reference materials may be distributed (only 10-20 milligrams under normal circumstances). All requests must be made in accordance with 21 CFR 1305.03 (available at http://www.
deadiversion.
usdoj.gov/
21cfr/cfr/
1305/
1305_03.htm
) There is no cost to access. All organizations requesting samples must be registered with the DEA and provide service to a law enforcement agency.
Materials in this collection are purchased from chemical suppliers, synthesized by DEA chemists, or purified from materials seized in closed case work. Physical samples. Jeffery Comparin
DEA Special Testing and Research Laboratory
Laboratory Director
703.668.3306
DEA Western Laboratory Controlled Reference Materials/ Standards DEA Western Laboratory Reference collection of controlled substances. The collection contains about 300 reference samples of controlled substances. Each sample is stored in accordance with manufacturer specifications. Database may be accessed by contacting the point of contact listed and submitting a form 222 or digitally signed electronic order. Requests are evaluated on the merits of the request and portions of the reference materials may be distributed (only 10-20 milligrams under normal circumstances). All requests must be made in accordance with 21 CFR 1305.03 (available at http://www.
deadiversion.
usdoj.gov/
21cfr/cfr/
1305/
1305_03.htm
) There is no cost to access. All organizations requesting samples must be registered with the DEA and provide service to a law enforcement agency.
Materials in this collection are purchased from chemical suppliers, synthesized by DEA chemists, or purified from materials seized in closed case work. Physical samples. Bryan Henderson
DEA Western Laboratory
Laboratory Director
415.744.7051
FBI Lab - Chemistry Unit FTIR Library Spectral Library Federal Bureau of Investigations (FBI) -- FBI Laboratory A library of FTIR spectra used for comparison and identification of a wide variety of substances, including commercial products, drugs, and explosives. Approximately 500 FTIR spectra of a wide variety of substances, including commercial products, drugs, and explosives. The library is accessed via the instrument software. The records are maintained on the instruments as well as on the Chemistry Unit's network. No cost to access; the library is created in-house and are not available to external laboratories. Samples are obtained from in-house analysis or from commercial purchases. Digital records and physical samples. Eileen Waninger
Federal Bureau of Investigations,
FBI Laboratory
703.632.7422
eileen.
waninger@
ic.fbi.gov
FBI Lab - Chemistry Unit Raman Library Spectral Library Federal Bureau of Investigations (FBI) -- FBI Laboratory A library of raman spectra used for comparison and identification of unknowns, primarily organic liquids and inorganic salts. Approximately 50 raman spectra of organic liquids and inorganic salts. The library is accessed via the instrument software. The records are maintained on the instruments as well as on the Chemistry Unit's network. No cost to access; the library is created in-house and are not available to external laboratories. Samples are obtained from in-house analysis or from commercial purchases. Digital records and physical samples. Eileen Waninger
Federal Bureau of Investigations,
FBI Laboratory
703.632.7422
eileen.
waninger@
ic.fbi.gov
FBI Lab - DART Database (Search
FromList)
Spectral Library Federal Bureau of Investigations (FBI) -- FBI Laboratory Collection of accurate mass ions observed from commercial products, drugs, and other chemicals of forensic interest. Collection of accurate mass ions observed from commercial products, drugs, and other chemicals of forensic interest. There are approximately 800 samples. The collection is accessed directly on instruments and over the closed internal network. Accessed in-house only. Samples are collected from donated samples and in-house standards. Digital records. Jeff Leibowitz
Federal Bureau of Investigations,
FBI Laboratory
703.632.7432
jeffrey.
leibowitz@
ic.fbi.gov
FBI Lab - Toxicology In-House Reference Library (GC/MS-EI/CI), LC/MS/MS (with exact mass) Spectral Library Federal Bureau of Investigations (FBI) -- FBI Laboratory A database used for possible drug screen matches to assist chemist in determining which standards should be analyzed for drug detection and identification. The database contains hundreds of drug standards (although most are under multiple names). FBI Laboratory's Chemistry Unit accesses the database internally. Information from pharmaceutical companies are not shareable with other labs without written permission from the pharmaceutical company. Sharing information in the database with other  laboratories requires written permission from the pharmaceutical companies that contributed the information to the FBI. New drug standards are either purchased or received from pharmaceutical companies, standards are prepared, analyzed on instruments, and entered into database. The Library also contains samples from the FBI Drug Vault. Physical samples are available for some of the standards; the database contains digital records of each standard. Dr. Cynthia L.
Morris-Kukoski
Federal Bureau of Investigations,
FBI Laboratory
703.632.7838
Cynthia.
morris-
kukoski@
ic.fbi.gov
Fischer Scientific SRMs Reference Materials/ Standards Fischer Scientific (commercial) A commercial company that has a sizeable list of standard reference chemicals. Certificates of analysis are available for each sample. Fisher Scientific sells thousands of standards for scientific research and analytical work. A full list of standards categories is available through the URL. Standard reference materials can be searched and purchased on the website. Cost varies by product. N/A Physical samples are available for purchase through the online catalog. http://www.
fishersci.
com/ecomm/
servlet/
cmstatic?
independent=
yes&storeId
=10652&
pagename=
request
catalog
High-Purity Standards SRMs Reference Materials/ Standards High-Purity Standards (commercial) Chemical company that produces standard reference materials. Specialties include custom blends for specific customers. A wide range of standards including organics. The search yields 802 samples for sale, to include: organic standards, single-element solutions, multi-element standards, graphite furnace solutions, flame AAS standards, metallo-organic standards, ion chromatography standards, water standards, biofuel standards, natural and simulated-matrix reference materials, trace metals for industrial hygiene and ambient air analysis, and analytical reagents. Users can also request quotes for custom blends. Standard reference materials can be searched and purchased on the website. Quotes for custom blends are also available. Cost varies by product. Samples are manufactured in a lab. ISO Guide 34, ISO/IEC 17025, and ISO 9001:2008 certified. Also follows NIST traceability standards. Each standard comes with a certificate of analysis that provides a detailed analysis of the properties and manufacture of each standard. Physical samples are available for purchase through the online catalog. http://www.
highpurity
standards.
com/store/
pages.
php?
pageid=12
Household Products Database Household Products NIH -- National Library of Medicine (licensed by DeLima Associates (commercial)) Online database of searchable health and safety information such as ingredients, manufacturers, and health effect data. Records in the database include the chemical ingredients included in household products along with their percentage composition. Information on known health effects of ingredients is also held. The database contains over 10,000 records. MSDSs are available for all records added since 2007. Access through the National Library of Medicine's online portal;  Database is searchable by manufacturer, product, or chemical ingredients. No cost to access. Database is open to the public through the National Library of Medicine. The database is based on manufacturer provided Material Safety Data Sheets (MSDS). All information is collected from publicly accessible sources, products are not independently tested by the maintaining body. Digital records; however, the digital records contain contact information for the manufacturers if users would like to get physical samples.

NIH, National Library of Medicine customer service:
tehip@
teh.nlm.nih.gov

Contact DeLima Associate's (commercial)
http://whatsin
products.com/
contactus.php

Ident-A-Drug Reference Pill Identification Therapeutic Research Center (commercial) Drug database including photos of known pills, pill imprints, NDC#, DEA classification and schedule, descriptions, ingredients and strength, as well as other drug information. There are currently 40,588 drugs listed in the database, and approximately 72% of searched-for drugs have corresponding photographs. Can be accessed online or on a PDA device. A book versions is also available. Search by imprinted code, NDC#, Canadian DIN, or advanced search using specific information. Pay to subscribe. One-year separate subscriptions for Web Access and PDA Version are $39.00 each. A combined subscription is $59.00. Discounts for longer subscriptions. The book version is $26.00 with yearly Web or PDA subscription, $39.00 without. The data put into the database comes only from drug companies or the FDA to ensure accuracy. Online library and printed records only. Barbara Parnacott
Therapeutic Research Center
3120 W. March Lane,
PO Box 8190
Stockton, CA 95208
209.472.2240 ext. 260
bparnacott@
pletter.com
IR Hummel Defined Polymers Library Spectral Library Wiley-VCH (commercial) Library of polymer spectra with extensive sample information. The collection contains 2,900 polymer spectra . All spectra are high quality FT-IR spectra at a resolution of 2 cm-1 (data point distance 1 cm-1). Associated legends quote references, inform about the origin and the synthesis of the polymers as well as the sample preparation. Each compound is identified by its IUPAC or common names. Database can be purchased at URL listed and ships on CD-ROM. Library is available for Galactic; Bruker; Shimadzu; Nicolet; ACD; Perkin Elmer; Mattson; Lumex; and SpecTacle systems. Database may be purchased through point of contact listed. Prices vary based on lab type and number of users. Library was created by Dr. Deter O. Hummel, University of Cologne Digital records. Dr. Reinhard Neudert 
+49 (0)6201 606433
meudert@
wileyvch.de
Nicolet®/
Aldrich Raman Condensed Phase Library - Edition Two
Spectral Library Sigma-Aldrich Co. (commercial) Library containing FT-Raman Spectra of various substances, mostly pure organic or inorganic compounds. Generally used for identifying compounds with significant spectral differences, not suitable for spectral subtraction or other precision methods. 18,500 spectra of mostly pure organic or inorganic compounds stored on a CD-ROM.  The source of the compounds is the Aldrich Chemical Handbook. Library can be purchased online through the URL.  Once the library is purchased it ships on CD-ROM, which can be accessed using OMNIC, GRAMS/32, or Spectral I.D. systems.  One-time purchase for $16,800; must have or create an account with Sigma-Aldrich, which has ~one week screening process (DEA items take longer screening process). Spectral data is between 4000 and 450 cm^-1. All spectra were collected using a Nicolet Raman 950 spectrometer (with a germanium detector) and are saved in Raman Shift Format. Spectra are measured at 2 cm^-1 resolution, then are de-resolved to 16 cm^-1 resolution and 8-bit ordinate precision before being saved in the library format. Digital records stored on the CD.  A majority of compounds are available for purchase from Sigma Aldrich (not from the original lot, match IR in 95%). Dan Bess
Sigma-Aldrich Co.
1.800.325.5832
Dan.bess@
sial.com
Nicolet®/
Aldrich Vapor Phase Library
Spectral Library Sigma-Aldrich Co. (commercial) Library of gas phase spectra to be used on OMNIC, GRAMS/32, or Spectral I.D. systems. Library contains 5,010 gas phase spectra at 16 cm^-1 cm resolution and 8-bit ordinate precision. Database is purchased at URL listed, then library may be accessed through instrument or PC. Database can be purchased from Sigma-Aldrich for $5,340. Access is then controlled at particular purchasing lab. Library is created by Thermo Electron Corp. using a GC interface to ensure chromatographically pure samples. Digital records. Dan Bess
Sigma-Aldrich Co.
1.800.325.5832
Dan.bess@
sial.com
NIST - NIST/
EPA/
NIH Mass Spectral Library with Search Program (2011) [SRD 1A]
Spectral Library NIST - Mass Spectrometry Data Center This database is the product of a multiyear, comprehensive evaluation and expansion of the world's most widely used mass spectral reference library. Database includes 243,893 EI spectra, from 212,961 unique compounds, 346,757 Kovats Retention Index values, 95,409 MS/MS Spectra. Records include spectral data, chemical structure, and chemical property data. These records are fully evaluated by NIST scientists and stored in binary format. Libraries are purchased and ship on CDs. Once obtained they may be used alone on the user's PC via NIST MS Search Program (included). The CDs also contain the libraries in a few other instrument specific formats (e.g. Agilent ChemStation and MassHunter), as such they may be loaded onto some commercial mass spectral instruments. A PDF users guide is available online. There is a cost to access, though this varies by vendor. Available for purchase through NIST and distributors (follow the link to a list of distributors). Each spectrum is critically examined by experienced mass spectrometrists. Digital records. Stephen E. Stein
Mass Spectrometry Data Center
National Institute of Standards and Technology
301.975.2505
sstein@nist.gov
Organics by Raman Library Spectral Library Thermo Fisher Scientific (commercial) Library of Raman spectra of organic chemical libraries. Collection contains 1000 spectra (see listing at URL listed). Spectra are based on samples from the 0-1000 MINI-STOCKROOM kid (Chem Service, Inc,, West Chester, PA). Includes a broad range of functional groups. Database may be purchased through Thermo Fisher, once purchased spectra are accessible through laboratory equipment. Library created from the 0-1000 MINI-STOCKROOM kid (Chem Service, Inc,, West Chester, PA). In most cases, the shipping bottles were not opened during sampling. Digital records. Unknown.
PerkinElmer-FTIR Libraries Spectral Library PerkinElmer Inc. (commercial) Various FTIR libraries that come with PerkinElmer FTIR software purchase. The Fluka library (1725 spectra), an ATR Polymer library (100 spectra), a Raman Polymer library (100 spectra), and a Small Drugs library are included with the software purchase. The libraries are included with the purchase of the SEARCH Plus Software for PerkinElmer Spectrum One FTIR. The software can be purchased through the URL. Verify. Cost varies by purchase.   Digital records. Customer Care USA
Telephone: 800-762-4000 or 1 203-925-4602
RTI Chem
informatics Database
Spectral Library RTI International - Center for Forensic Sciences The Cheminformatics database is a web-based tool for the identification of unknown substances using spectral data. The database is tailored specifically towards the forensic community in that it contains many compounds not found in other spectral databases. Records can be searched against chemical structure or by numerous types of experimental spectral data (DART-TOF, Mass Spectrometry, FTIR, and Chromatography Spectra/ Cromatograms). Records in the database include physical properties and in many cases a picture of the compound. Approximately 2,500 records encompassing 5,000 spectra on chemical compounds. Users obtain chemical structure or spectral data and compare it to the library available at ForensicDB.org. The database search tool is entirely web based (no desktop client needed) and returns a list of candidate matches, which can be further narrowed by searching the candidate list against another type of spectrum for the same compound. No cost to access; available to anyone who registers for a free user account. Contributers submit spectra records to the database, where it is held in a "Collaboration" file, while it is confirmed by academic review. Once the record has been approved by the reviewal process, it is promoted to a public record. Digital records. Peter Stout
RTI International-- Center for Forensic Sciences 919.316.3450
pstout@rti.org
RxList Pill Identification Tool Pill Identification RxList Incorporated Free online search used to identify drugs and medications based on external appearance for free. Thousands of digital records of prescription pills. Information includes: shape, color, imprint code, generic name, strength, uses, side effects, precautions, interactions, and overdose. Access through the URL; search by shape, color, and/or imprint code on the pill to match against entries in the database. Successful searches return detailed descriptions and pictures. No cost to access. Unrestricted use. Pills are those manufactured by commercial pharmaceutical companies. Digital records. Only contact method is emailing through the website.
Sigma-Aldrich SRMs Reference Materials/ Standards Sigma-Aldrich Co. (commercial) Sigma-Aldrich sells standard reference materials for a large array of applications. All standards are organized into a Standards Search tool, and all products can be purchased directly off of the website. 46,000 chemicals and biologicals. Standards search tool allows customers to search for desired reference materials. To order, a simple process is completed to purchase and have the SRM delivered. Search tool allows chemicals to be searched by product name, product number, component, CAS number, molecular formula, or agency method. Cost varies by product; must have or create an account with Sigma-Aldrich, which has a one week screening process (DEA items take longer screening process). All samples are created in a lab. Some reference materials are certified by various accreditation sources. All samples for purchase have sourcing information. Physical samples are available for purchase through the online catalog. Dan Bess
Sigma-Aldrich Co.
1.800.325.5832
Dan.bess@
sial.com
The Spectral Library Identification and Classification Explorer (SLICE) Spectral Library Horiba Scientific (commercial) Software program designed to archive, query, and compare x-ray spectra. Digital library contains x-ray spectra data. Database is designed to be accessible on any PC-controlled XRF or EDX instrument.   Digital records. Unknown.
Wiley Designer Drug (various versions) Spectral Library John Wiley & Sons Inc. (commercial) Mass spectral database for searching and comparing mass spectral data of designer drugs. The 2011 version includes:- Over 12,000 chemical compounds- Over 14,000 mass spectra, about 1,700 more spectra than in the 2010 edition- Chemical structures- Chemical warfare agents, added due to the interest in homeland security- Data taken from both legal and underground literature, providing the most comprehensive picture of these compounds- Average peaks per spectrum: 161- Average Quality Index: 938- Experimental Kovats indices: over 6,000- Calculated Kovats indices- Added as separate data collection: more than 10,000 ESI LC-MS/MS spectra of 750 compounds. The software can be purchased online through the URL. System requirements and information on software compatibility is available through the URL as well. Orders can also be placed over the phone. Software can be purchased for $6,045. The database is available in many different formats. The database is compiled by the mass spectral experts at the Regional Departments of Criminal Investigation in Kiel, Hamburg, and Wiesbaden, Germany. Digital records.

Jennifer Rella
Marketing Manager
Ext. 26536
201.748.6000

To order by phone: 800.245.6217

Wiley Registry of Mass Spectral Data 9th Edition, with NIST 2008 Spectral Library John Wiley & Sons Inc. (commercial)

Commercial package of libraries for numerous chemical analysis systems. The libraries contain mass spectral data for the identification of compounds. Records also include structure and trivial name, molecular formula, molecular weight, nominal mass and base peak. Wiley Registry 9th/NIST 2008 library:  * Over 796,000 mass spectra  * Over 667,000 compounds,  * Over 746,000 spectra with chemical structures  * Over 2.9 million names

NIST/EPA/NIH 2008 with MS Search  * More than 220,000 mass spectra  * 191,000 compounds  * 191,000 spectra with chemical structures  * MS/MS and GC Retention Index Libraries  * MS Search 2.0f release (build Oct 22, 2009 enhanced memory management)  * AMDIS

The software can be purchased online through the URL. System requirements and information on software compatibility is available through the URL as well. Orders can also be placed over the phone. Software purchase of $10,095 (price may vary with promotions). The purchase includes: 1) Wiley Registry 9th/NIST 2008 library, and 2) NIST/EPA/NIH 2008 with MS Search N/A Digital records.

Jennifer Rella
Marketing Manager
Ext. 26536
201.748.6000

To order by phone: 800.245.6217


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