Page 1 of 1

mass spectra of hydroxyacids

Posted: Fri Oct 29, 2010 2:46 pm
by nivek1021
Hi all . . . I'm characterizing some plant analtyes, as TMS ether-esters derivitized with BSTFA, using GC-MS. I have a few hydroxyacids, probably dihydroxyacids or hydroxydiacids, that I am struggling to find published spectra for, be it in the literature or a library (all I have is NIST 98!).

I'm particularly interested in IDing the compound with the following dominant mass fragments. It elutes shortly after an 18C long trihydroxyacid.

Base peak: 73

Other dominant ions, in order of abundance: 317, 303, 129, 147, 204, 217, 551. I think 551 is the key.

There is a similar compound that elutes later with 565 instead of 551, so this must be another compound of the same type but with an extra C in the chain.

Please respond directly to Kevin (kem311@psu.edu).
Thanks!

Posted: Sat Oct 30, 2010 2:27 am
by Don_Hilton
There is a library of metabolites at the Max Plank web site - I don't have the details at home with me, but a bit of digging on the web should get you there.

max planck database

Posted: Sat Oct 30, 2010 3:52 am
by nivek1021
Thanks Don . . . I checked out the Max Planck database a couple years ago and it didn't have spectra for these hydroxyacids, but perhaps its been updated or I missed them.