[Romeres]

Hi all.
Is it possible to predict results of HPLC and GC/MS, some online simultaion maybe?
IF no, is there any big big library that contains very big amount of spectres of different substanceses?
Compound which i looking for is quite rare(CAS number 5822-43-5)

If none of it is possible, can someone recommend me research company which would obtain substance and do tests?
Thanks

[Arkcon]

Yes.  I know of one such application, called Drylab.  There are others as well.  Usually, they work by having you input the results of some runs under some conditions, then extrapolate to any other conditions you can input.  But the applications may arrive with  common analyte information included.

I'm wondering why you're looking for a database of spectra, that is separate from a chromotogram.  Although there are formulas to use the compound's structure to make a fair guess at absorbance max.

Of course, your CAS number indicates a derivative of morphian, many examples of which are controlled substances, so you may have problems acquiring a sample depending on local laws. http://en.wikipedia.org/wiki/Morphinan