Page 8 - Shimadzu GCMS-QP2020 NX

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

8 9