chemdata:epastarter

EPA Tandem Mass Spectrometry Starter Library of Environmentally Relevant Compounds

Library contents:

  • 686 compounds by in-source fragmentation at multiple energies
  • 124 compounds by collision cell fragmentation at single energy

Data provided by Larry Zintek, EPA-Chicago in cooperation with Waters Instrument Company, Milford, MA.

Data reformatted and annotated at NIST.

Release date: March 09, 2012.

Software Installation

If You Are a Current NIST MS Search User

Check your MS Search version by selecting from the MS Search menu Help/About nistms… If the version is 2.0g (May 2011 or later) or 2.0f (July 2008 or later), write it down (you will need it later) and proceed to the Library Download and Installation. Otherwise, you need a newer version of NIST MS Search. Follow instructions in the next section.

If You Do Not Have NIST MS Search Installed on Your PC

Download and run NIST 08 Demo installer, NISTDEMO_08.exe. Under Windows 7 or Vista, you may need to enter administrative credentials during the installation. Default settings install Demo MS Search into the C:\NISTDEMO\MSSEARCH folder.

Library Download and Installation

Download

There are two versions of the library. Download the one compatible with your version of the MS Search program.

  1. For NIST MS Search version 2.0g (May 2011 or later) or NIST 08 Demo MS Search download file EPA_Starter.zip.
  2. For NIST MS Search version 2.0f (July 2008 or later) download file EPA_Starter_compat_08.zip.
Installation

At this point, if NIST MS Search is running, close it.

Open the downloaded library file in Windows Explorer, copy the library folder located inside the file, and paste this folder into the existing NIST MS Search folder (typically C:\NIST11\MSSEARCH, C:\NISTDEMO\MSSEARCH, or C:\Program Files\NISTMS\MSSEARCH). Start NIST MS Search.

Note that to search MS/MS spectra in EPA_Starter library, you need to open Library Search Options box, select Spectrum Search Type Identity, MS/MS in the Search tab, and, in the Libraries tab, make sure that EPA_Starter library is an included library.

License

  • Installation and Use. You may install and use an unlimited number of copies of the Library.
  • Reproduction and Distribution. You may reproduce and distribute an unlimited number of copies of the Library; provided that each copy shall be a true and complete copy of the Library, and shall be accompanied by a copy of this License. Copies of the Library may be distributed as a standalone product or included with your own product.
  • The National Institute of Standards and Technology (NIST) uses its best efforts to deliver a high-quality copy of the Database and to verify that the data contained therein have been selected on the basis of sound scientific judgment. However, NIST makes no warranties to that effect; and NIST shall not be liable for any damage that may result from errors or omissions in the Database.
chemdata/epastarter.txt · Last modified: 2014/02/21 15:41

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