The GC/MSD spectra library is a software library used for gas chromatography-mass spectrometry, which can be used to identify unknown compounds in a sample.
This document provides an overview of mass spectra libraries available for the Agilent MSD ChemStation software. It details the two main types of libraries: general-purpose ones (Wiley and NIST) and specialized ones (Stan and Pfleger). The text explains that general-purpose libraries are used for broad-based compound identification when little is known about a sample, while specialized libraries offer faster searches for specific chemical classes like pesticides or drugs.
| Wiley Library Spectra Count | 390,000 |
|---|---|
| NIST Library Spectra Count | 129,000 |
| NIST 98 Library Compounds | 107,886 |
| Wiley 7N Edition Compounds | 316,934 |
| Stan Pesticide Library Compounds | 340 |
| Pfleger Drugs Library Compounds | 6,300 |
The default library search uses the Probability Based Matching algorithm developed by F. McLafferty.
Yes, users can use the NIST database of Chemical Structures (Part No.G1036A) to visualize the compound using the CAS number.
The library includes the NIST Forward Library Searching Program, the Automated Mass Spectral Deconvolution and Identification System (AMDIS), and the MS Interpreter.