Chemstation

Agilent ChemStation is a well-proven and a popular software product. Over the years, the software has achieved a high degree of distribution, particularly at universities and public institutions. The software design of ChemStation has become out-of-date over the years. That s why Agilent has started a redesign, calling the software now OpenLAB. 

Weaknesses low performance, file-based software architecture. 

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Ethanol concentration in the fermentation broth is determined by using gas chromatography (HP 5890 series II with HP Chemstation data processing software, Hewlett-Packard, Avondale, PA) with a Poropak Q Column, and a Hewlett-Packard model 3380A integrator. A flame ionisation detector (FID) is used to determine ethanol. The oven temperature is maintained at 180 °C, and the injector and detector temperature are maintained at 240 °C. The sample taken from the fermentation media has to be filtered and any internal standard must be added for analysis based on internal standard methods otherwise, the area under the peak must be compared with known standard samples for calculation based on external standard methods. 

CHEMCAD steady-state Chemstations Inc. 2901 Wilcrest, Suite 305, Houston, TX 77042 USA chemstations.net... 

Factor MF (Agilent ChemStation), or Similarity Index SI (Shimadzu Class-VP, Chromatography Data System or Shimadzu/LCsolution). 

Abstract A relatively small number of mammalian pheromones has been identified, in contrast to a plethora of known insect pheromones, but two remarkable Asian elephant/insect pheromonal linkages have been elucidated, namely, (Z)-7-dodecen-1-yl acetate and frontalin. In addition, behavioral bioassays have demonstrated the presence of a chemical signal in the urine of female African elephants around the time of ovulation. Our search for possible ovulatory pheromones in the headspace over female African elephant urine has revealed for the first time the presence of a number of known insect pheromones. This search has been facilitated by the use of a powerful new analytical technique, automated solid phase dynamic extraction (SPDE)/GC-MS, as well as by novel macros for enhanced and rapid comparison of multiple mass spectral data files from Agilent ChemStation . This chapter will focus on our methodologies and results, as well as on a comparison of SPDE and the more established techniques of solid phase microextraction (SPME) and stir bar sorptive extraction (SBSE). 

New FindPeak Macros for Organization and Comparison of Mass Spectral Data Output from Agilent ChemStation Software... 

TIC) for each urine sample. For comparison of TICs, Agilent ChemStation software allows one easily to stack (overlay) several chromatograms in the same computer window (Fig. 2.2). This feature helps to identify compounds with common retention times among several samples, but does not contain any mass spectral data for verification of a common identity for these peaks and is most useful for comparison of only a few TICs or a few compounds of interest. In these cases, mass spectral comparisons can be made quickly by visual inspection of the relevant spectra. 

For reasons discussed above, we needed a complementary, ancillary tool for comparison of the mass spectra of components from multiple urine samples. We desired that the procedure have several characteristics (1) requires little if any manual data entry by the operator (2) utilizes data automatically generated by ChemStation and organized into Microsoft Excel spreadsheets (3) displays both retention times and mass spectral data in the same window (4) minimizes subjective operator judgments and (5) is simple and rapid to use. What emerged after several iterative improvements are the FindPeak macros discussed below. These are largely due to the expertise of Y. Aubut, with valuable input from J. Eggert. 

In brief, the macros carry out the following steps (1) Agilent ChemStation ... 

Agilent ChemStation software, 29-31, 33 Alkylquinaxolines, in Phodopus roborovskii, 19 Allomones, 13 2-Aminoacetophenon, 155 2-Amino-7-hydroxy-5,5-dimethyl-4-thiaheptanoic acid, see Felinine Amniotic fluid, odour of, 194 Amphetamine, 266... 

Figure 2.4 Equilibrium constants of esterification and polycondensation as a function of temperature. The data have been published by Yamada and co-workers [23,24], Reimschuessel [21] and Challa [22], or have been calculated by using the commercial process simulator Chemcad (Chemstations)...

FIGURE 10 The graphical instrument control panel of the ChemStation. 

FIGURE 9 Resolution calculated by ChemStation software between 1-adrenaline and d-adrenaline 3.0 between d-adrenaline and lidocaine 0.09 (with permission from reference 10). 

Another system component, the automatic liquid-sampler system, offers faster tray operations and improves vial handhng to increase system throughput. The liquid-sampler system can be controlled through the GC keyboard or the HP ChemStation. 

Capabilities of the ChemStation include a full-featured standard reporting package and a custom report designer for analysts with special reporting requirements. An optional database software package provides standard cross-sample and study reports as well as trend analysis. The HP ChemStation also improves data transfer to other software, and networking facilities are available to link into a corporate computing system. 

The key features and benefits of the multi-technique ChemStation include the following ... 

ChemStore database This optional software package is a powerful extension of ChemStation software for sample organization and results storage. Control charts and cross-sample and cross-study reports are standard and enhance the ChemStation s already versatile reporting software. 

Networking For laboratories with multiple ChemStations, networking facilities are provided for greater productivity and enhanced regulatory compHance. 

In addition, the HP ChemStation provides password protection against accidental data loss or methods changes. The HP ChemStation controls and monitors all GC parameters and maintains a logbook of all system events that occur while the GC system is running. System-suitabihty software, which allows analysts to select from a wide variety of chromatographic parameters to monitor and verify system performance, is also available. 

TIC) acquired by GC-MS was used for peak area integration. HP MS chemstation soft-... 

Chromatographic Conditions. GC-ECD analyses were performed in an HP 5890 series II GC equipped with an electron capture detector and a split/splitless injector, operated by an HP Chemstation software. PCBs were separated on a 25 m length X 0.32 mm i.d., HP-1 column coated with a 0.17 pm film. The GC oven temperature program was as follows 90 °C hold 2 min, rate 20 °C/min to 170 °C, hold for 7.5 min, rate 3 °C/min, to final temperature 280 °C, and hold for 5 min. Nj was employed as carrier and makeup gas, with a column flow of 1.2 mL/min at 90 °C. Split flow was set at 50 mL/min. 

Agilent GC-MS ChemStation System equipped with capillary gas chromatograph HP 5972,5973, or 6890 series Agilent 6890 series autosampler. The GC-MS system is operated in the positive-ion, electron-impact ionization mode. Chromatographic parameters of the acquisition method are listed in Table 3.1.7. TIC is recorded over the mass range m/z 50-550, and the total run time is 33 min. 

Hewlett Packard gas chromatograph type 5890 coupled to a Hewlett Packard 5973 mass selective detector, with ChemStation software. 

A 20% polyethylene glycol succinate on Kieselguhr column (1.2 m, 443 K, 50 ml min helium carrier gas) was used for GC analyses. Deuterium-labelled compounds were analysed by NMR spectroscopy (JEOL C 60-HL equipment) after separation with a Carlo Erba Mod P preparative GC. Mass spectrometric analyses of the reaction mixtures were carried out with a Hewlett Packard 5890A GC instrument (25 m HP-20M column, 353-473 K) coupled with a 5970 MSD quadrupole mass spectrometer (El source, 70 eV, 1-s scans, HP 59970 MS ChemStation data system). 

The detector temperature is held at 250°C. Helium (zero grade) is used as the carrier gas at a column head pressure of 40 kPa. The flow rate of the other gases are hydrogen, 40 ml/min air, 450 ml/rnin and nitrogen, 45 ml/min. Total run time is 38 min. The results are integrated using Hewlett Packard ChemStation software. 

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