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- Posts: 42
- Joined: Thu Dec 27, 2007 9:46 pm
I am trying to get my (ms) project underway, part of which will include quantifying a few metabolites in the leaves of a weed. To that end, I've purchased standards, but before injecting them willy-nilly, I figured that I'd:
1) figure out the pKa values of the compounds.
2) if the pKas are willing, choose a reagent to ionize the lot, and work up the chromatography before moving to the ms; if not, do so in different lots with different buffers.
3) of course, the solubility of the standards is (understatement) important.
Simple enough in writing, but I think that Sigma forgot to write the pKa and solubility values on the sides of my bottles.
But lo, there's... SPARC.
http://ibmlc2.chem.uga.edu/sparc/
Have you had success with SPARC? Are these sorts of calculators likely to be accurate (to) within a pKa?
1) figure out the pKa values of the compounds.
2) if the pKas are willing, choose a reagent to ionize the lot, and work up the chromatography before moving to the ms; if not, do so in different lots with different buffers.
3) of course, the solubility of the standards is (understatement) important.
Simple enough in writing, but I think that Sigma forgot to write the pKa and solubility values on the sides of my bottles.
But lo, there's... SPARC.
http://ibmlc2.chem.uga.edu/sparc/
Have you had success with SPARC? Are these sorts of calculators likely to be accurate (to) within a pKa?
