CE calculation for Thermo QQQ for +1 and > +3 charge state.

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Mi-Youn Brusniak

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Dec 12, 2008, 3:46:11 PM12/12/08
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Dear TIQAM users,

 

Based on requests, we are planning to generate Mass Spec dependent CE value for TIQAM-Digestor.

TIQAM-Digestor is originally designed for ABI Q-TRAP machine so it uses a formula for the specific machine.

Does any body know what CE calculation formula we need to use Thermo QQQ for +1 and higher than +3 charge state?

I got information on +2 and +3?

If we have a hard time getting the information on this, we will put an NA (not available) in CE column for Thermo-QQQ machine.

We would appreciate if you can provide this information as soon as possible.

 

Thank you in advance.

 

Mi-Youn

 

Mi-Youn Brusniak, Ph.D.

Computational Biology

Seattle Proteome Center

mbru...@systemsbiology.org

Tel: (206)732-1327

ManRai

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Dec 15, 2008, 6:18:13 AM12/15/08
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Hi,
I may be blind, is the TIQAM Thermo QQQ version already up? In my
collection of mass spectrometers I have a QTRAP4000 (TIQAM is great)
and a Quantum Ultra which I would like to put up for peptide MRM work.
Thermo has released a SRM software but my spam protection removed it
from my mails. The instrument is currently used for small molecules
but I really would like to take it to the better work.
Thanks
Manfred

On 13 Dez., 04:46, "Mi-Youn Brusniak" <mbrusn...@systemsbiology.org>
wrote:
> mbrusn...@systemsbiology.org
>
> Tel: (206)732-1327

Mi-Youn Brusniak

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Dec 15, 2008, 2:39:27 PM12/15/08
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Dear Manfred,

You are not blind :-) You are right that the last release of TIQAM-Digestor
has TIQAM Thermo QQQ export option.
However, the CE column for Thermo QQQ is based on ABI 4000Q-TRAP optimized
CE calculation that Vinz provided us for our paper publication. Though
experienced users can change CE values in CE column using excel spreadsheet
prior to loading to machine, we would like to give users CE values matching
with exported output format they have selected.
Again, this week, we will release TIQAM-Digestor that produce custom CE for
Thermo QQQ based on information we have.
Users can custom CE values by using their formula using excel or text
editors if they desire.

Mi-Youn

Mi-Youn Brusniak, Ph.D.
Computational Biology
Seattle Proteome Center
mbru...@systemsbiology.org
Tel: (206) 732-1327
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