Chromatography Forum

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.

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

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.

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

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