Assessing the reliability of the NIST library during routine GC-MS analyses: Structure and spectral data corroboration for 5,5-diphenyl-1,3-dioxolan-4-one during a recent OPCW proficiency test
In the field of analytical chemistry, it is the nature of the available instrumentation that makes a specific technique uniquely suited for answering a specific challenge. Often times, instruments equipped with ultrasensitive array of detectors and state-of-the-art separation components have served to highlight their invaluable role in the field. Nonetheless, it is their ultimate ability to predict the structure of an unknown material on the basis of mass spectral data that exponentially magnifies their value. Their efficacy in achieving this prediction is largely based on the size of their internal mass spectral library that conveniently can be accessed by using the software. The library can thus exhaustively correlate an unknown compound's mass spectrum to known compounds in a database and provide the analytical chemist with a probable structure for the unknown analyte. During routine analysis, it is customary that after the appropriate collection of the compound's mass spectrum, the next step involves its comparison with a compound in the instrument's National Institute of Standards and Technology (NIST) library.
- Research Organization:
- Lawrence Livermore National Laboratory (LLNL), Livermore, CA (United States)
- Sponsoring Organization:
- USDOE National Nuclear Security Administration (NNSA)
- Grant/Contract Number:
- AC52-07NA27344; DE‐AC52‐07NA27344
- OSTI ID:
- 1497284
- Alternate ID(s):
- OSTI ID: 1435675
- Report Number(s):
- LLNL-JRNL-745368; 897211
- Journal Information:
- Journal of Mass Spectrometry, Vol. 53, Issue 5; ISSN 1076-5174
- Publisher:
- WileyCopyright Statement
- Country of Publication:
- United States
- Language:
- English
Web of Science
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