GCMS deconvolution soft for metabolomics

[areinhar]

Hello everybody

I am interested by doing metabolomics with GCMS measurements.

I wanna do untargeted fingerprinting with an ATDGCMS instrument. For the at purpose i need a soft that performs peak detection, data set alignment ans seamlessly incorporates the necessary multivariate tool - in order to extract the relevant biomarkers information!!

does anyone here know if such a soft is available for GCMS - for LCMS i use markerlynx for waters and this is really a good one - i would love to find the same but for GCMS!!

looking forward to reading your answers

A.

[bartjoosen]

Isn't there a databridge provided with Masslynx?

You probably can import your GC/MS data in Markerlynx and use the software you used to work with

Bart

[areinhar]

hey thanks for that quick reply...

is that a suggestion or have u heard about such a bridge? can you tell me more that...

A.

[bartjoosen]

I've used it to port data from masslynx to Empower, but perhaps it should work to convert from one dataformat to another.
Most of the software allow to import/export CDF also.

Bart

[BillW]

For GC/MS deconvolution for metabolomics, the program AMDIS, developed at NIST, is pretty much the standard for data analysis.

http://chemdata.nist.gov/mass-spc/amdis/

Bill Wikoff