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Forum index » Science and Technology » Chem » Analytical
GC/MSD Chemstations and SIM methods
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Shankar Bhattacharyya
science forum beginner


Joined: 15 Mar 2006
Posts: 7

PostPosted: Tue Jun 13, 2006 2:06 am    Post subject: Re: GC/MSD Chemstations and SIM methods Reply with quote

"Pepelos" <andreica.adrian@gmail.com> wrote in
news:1150158874.651521.217270@h76g2000cwa.googlegroups.com:

Quote:
The only way of doing it is think is by creating a macro. So you
will need to revigorate your programming skillls Wink.
But you can try to ask the same question to the Dr. Chemuser at:

www.chemuserworld.com

they know a lot about the Chemstation.

I poked around there a bit. They seem to know Chemstations well, as
you say.

In poking around on Agilent's site I get the impression that the
software shipping with the 5975 is better at doing what I want to be
able to do.

Reinvigorating programming skills is a nice thought. I enjoy writing
code, even for over-elaborate solutions to modest problems but there
are also real analytical problems in the lab, suitable for my less
rusty analytical skills.

My software entrepreneur brother-in-law once said that I was a pretty
darned good programmer for a chemist. Some day I may figure out
whether that was a compliment or an insult.

- Shankar
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Pepelos
science forum beginner


Joined: 11 Jun 2006
Posts: 4

PostPosted: Tue Jun 13, 2006 12:34 am    Post subject: Re: GC/MSD Chemstations and SIM methods Reply with quote

The only way of doing it is think is by creating a macro. So you will
need to revigorate your programming skillls Wink.
But you can try to ask the same question to the Dr. Chemuser at:

www.chemuserworld.com

they know a lot about the Chemstation.

Good Luck
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Shankar Bhattacharyya
science forum beginner


Joined: 15 Mar 2006
Posts: 7

PostPosted: Sat Jun 10, 2006 3:49 am    Post subject: GC/MSD Chemstations and SIM methods Reply with quote

We run a bunch of multiresidue pesticide scans on an Agilent 6890/5973
pair, using retention time locked selective ion monitoring methods. We
find writing and maintaining the SIM windows a real pain. Is there
some more sensible tool for managing this than the Agilent instrument
control panel's SIM parameter editing interface? The Agilent interface
is a torture.

My idea of a merely decent interface would be one involving a database
of analytes, retention times, quantitation ions and qualification
ions, with relative abundances. I would like to provide desired dwell
times as part of the database, on an analyte by analyte basis.

From that I would want to be able to automate a process of building a
set of SIM windows by specifying a starting retention time and an
ending retention time for each window, or, as is usual on the
Chemstation, by specifying start times for a series of windows,
thereby implying end times for each. Alternatively, I would like to
assign analytes to windows, maybe a starting analyte for each window.

I would expect the system to take the union of the ions which belong
in each window and construct a SIM table. If I change the windows I
would want the system to move relevant ions from one window to the
relevant adjacent window but not to delete ions which are necessary
for other analytes left behind in the window.

I am, in principle, quite capable of writing a database application to
do this, at least on a batch basis. However, my programming skills are
rusty and if a tool exists which does much of what I want I would
prefer to let my programming skills stay rusty.

I am not looking for a tool which is integrated into a Chemstation,
though I would be happy to find one. I am just looking for a way to
create and maintain the guts of a SIM table in an intuitively simple
way, so that I can copy it into the appropriate file in an Agilent
gc/msd method.

Does anyone have any advice to offer on whether there are sensible
tools available?

Thanks.

- Shankar
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