Page 9 - Shimadzu GCMS-QP2020 NX
P. 9

Smart Performance

 Easily Obtains All the Information Required for Qualitative Analysis


 With GC/MS, which has significant qualitative capabilities, a wealth of fragment information is obtained, so it is used   Smart EI/CI Ion Source Easily Switches Between EI and CI Methods
 as a means of identifying unknown compounds. A mass spectral library is generally used as a means of compound
 identification. However, experience with compound identification is required if the compound is not registered in the   The Smart EI/CI ion source has been developed in order to acquire CI data without switching the ion source, and
 mass spectral library, or there are a number of compounds with similar structures. With the GCMS-QP2020 NX, in   without losing the  sensitivity of EI, which is most commonly used.
 addition to the mass spectrum, three kinds of value-added compound information are used in combination to support   Even when it is difficult to perform identification with the EI mode using the mass spectral library, molecular weight
 high-accuracy qualitative analysis.  information can be obtained from CI data, thus helping in the estimation of unknown compounds.

               100    EI           441                Exchange of    100   CI            441
                                                       ion source
               75    57                               unnecessary    75
 Retention Index  Databases containing retention indices
               50                                                    50                           647
               25                                                    25

                   91   191   308 385                                     106       329 385  483  591
                   0                                                     0
 MassWorks software,      250        500                                         250        500
 Quick-CI, which can perform  which is capable of   Confirmation of Mass Spectra  Smart EI/CI Ion Source  Confirmation of Molecular Weight Information
 collection consecutively in  Molecular Weight  Accurate Mass*  calculating the accurate
 EI and CI modes  mass and estimating
 composition
                                                                                             MW:646
 * Accurate mass refers to the accurate mass calculated mathematically by MassWorks.



 Databases Containing High  Smart Metabolites
 Database
 Value-Added Retention Indices  Simultaneous  Off-Flavor
 Analysis Database  Database                                                              m/z 441
 Databases are available with retention indices specific to a   EI Data      It can be estimated that the peak
 variety of application fields, including foods, chemistry,   Retention Indices  CI Data  shown with an asterisk in the graph
 fragrances, forensics, and metabolite component analysis. In   Forensic Toxicology  5.0  7.5  10.0  12.5  15.0  17.5  20.0  22.5 min  on the left is Tris
 addition to mass spectra, searches are performed in   Database  Pesticide Library  Analysis of Extracts from a Food Container (Extracted using 20% EtOH solution)  (2,4-di-t-butylphenyl) phosphite,
 combination with retention indices, which are very highly   Polymer Additives  which is used as an antioxidant,
 compound specific, so isomers and compounds with similar   Library          based on the EI mass spectrum and
 structures are accurately identified.                                       the molecular weight information
 Other Mass Spectra Libraries                                               provided by CI spectra.
 • NIST Mass Spectral Library
    Registered with approx. 350,643 spectra.  Estimating Composition Using Accurate Mass
 • WILEY Mass Spectral Library
    Registered with approx. 775,500 spectra.  The MassWorks software calculates the theoretical
 Up to 10 library files can be configured. In addition to the public NIST and   • GC/MS MPW DRUG Library   accurate mass from the quadrupole MS mass profile. It   m/z 371 Mass Profile (CI)
    Drugs, toxicants, pesticides,
 Wiley libraries, a variety of library files can be configured. In addition, there      environmental pollutants  then outputs candidate compositional formulas based
 is a function to easily create private libraries.     (approx. 10,430 compounds)  on isotopic ratios and the theoretical accurate mass. This
               software is useful for estimating the composition of
               compounds that are not registered in a mass spectral
               library.
                             ™
               The GCMSsolution  software can simultaneously output
               GC/MS data and mass profile data. The majority of
               compounds detected with the GC/MS data can be
               identified from a mass spectral library. MassWorks is
 Narrowed by retention index  then used to estimate the composition of any
               compounds that are not identified, further increasing
               the quality of the qualitative analysis.
                  (×10,000,000)
                7.5
                5.0
                                                             It is predicted to be diethylhexyl adipate (C22H42O4) based on the
                2.5                                          candidate compositional formula and the mass spectral pattern.
                                                   EI Data
                0.0                                CI Data
                   8.0   9.0  10.0  11.0  12.0  13.0
                      Sample Analysis of Additives in a Polymer



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