Chromatography Forum

Hi everyone,

I'm new and found this wonderful forum resource and its respected community.

I was hoping if I could get some LCMS data so that I can try some multivariate data analysis(MDA) on it. I promised myself I will try as hard as I could before I ask for more help on doing it. I am planning to perform the computations with R for better flexibilty.

I'm planning to progressively do the below with the raw data -
smoothing, baseline correction, peak finding, alignment of chromatograms, metabolite identification and quantification, basic statistical analysis and more advanced MDA like - principal-components analysis (PCA) and partial-least-squares-discriminant analysis (PLS-DA) etc

Any help and pointer will be highly appreciated.

Van Jeer
PhD Candidate

vanjeer,

Since no one else is taking a crack at this one, a couple of suggestions.

1) Look locally or regionally for a pharmaceutical company that may be interested in working with you on this project. They are heavy users of LC/MS.

2) Contact instrument vendors (Agilent, Varian, PE, Shimadzu) and see if they can guide you to some users who might be interested in working with you on this.

3) Try posting the same question in the LC section of this forum on my theory (for what it is worth) that you might find more people there who would be interested in this project.

Best regards.

You can have GC/MS data derived from perfume analysis, if that's of any help?

Stephan