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Myristic acid D27 (Sigma Aldrich 366889 PubChem SID 24862719 InChIKey: TUNFSRHWOTWDNC-RZVOLPTOSA-N) was used for retention time locking (RTL). Electron impact ionization at 70V was employed with an ion source temperature of 250☌.
#Agilent chemstation software with license cost full#
The mass spectrometer was operated in full scan mode from 50 m/z to 650 m/z. The MSD transfer line heater temperature was set to 290☌. The GC temperature program was set at an initial temperature 60☌ with a hold time of one minute with a following temperature ramp of 10☌/min and a final temperature of 325☌ and final hold time of 10 minutes. Helium in constant flow mode was used as a carrier gas. The GC was equipped with a DB5-MS + 10m Duragard capillary column (length 30m ID 0.25 mm, film thickness 0.25 μm Agilent 122-5532G).
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Secondly the BinBase automatic library search and retention index matching system which performs the identification and post-matching.
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First the open source SetupX LIMS system which handles sample organization, class assignments and provides download web services. There are two large Open Source software projects which utilize the FiehnLib mass spectral and retention library.
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You can also directly compare mass spectra by compound names, by database identifiers or even against your own GC/MS spectra by querying BinBase. If you are interested in obtaining the Fiehn mass spectral libraries, you can purchase these for GC-quadrupole mass spectrometers from Agilent, and for GC-TOF mass spectrometers from Leco. We are continually extending the compound list and welcome compound donations or compound names with PubChem CIDs that are yet missing in our lists. The current libraries comprise over 1,000 identified metabolites that are currently screened by the Fiehn laboratory. This is a feature to implement the connection with a Laboratory information management system (LIMS).Project: FiehnLib - a mass spectral and retention index library for comprehensive metabolic profiling
#Agilent chemstation software with license cost mac#
mac extension.ĬhemStation can import analysis lists and export result files in XML by adding new lines to the ChemStation.ini configuration file. Those macros are files grouping a set of commands. Other special registers exist for the UV-vis implementation of the software.ĬhemStation has a command line interpreter and can run macros. Two of the more important registers are CHROMREG and CHROMRES, the chromatographic data registers. Two versions are available: one ("online") in connection with the modules of the HPLC chain is designed to control instruments and run experiments, and the other ("offline"), without a connection with the HPLC chain, is designed to analyze data.ĬhemStation is structured around a number of registers. It is an evolution of the Hewlett-Packard ChemStation System.
#Agilent chemstation software with license cost series#
Agilent ChemStation is a software package to control Agilent liquid chromatography, gas chromatography, and ultraviolet-visible spectroscopy systems such as the 1050, 11 Series HPLC system and the 84 single-beam diode array detector spectrophotometers.