Fragmentation Pattern!

[ChemSiddiqui]

hi all,

 

I just wanted to ask what the fragmentation pattern of oxalic acid will be. Its not a homework question so I think its appropriate for this section. I think that the m/z = 17 corresponding to OH will be lost leaving the fragment C2HO+ behind. I can't think of the other fragment for it. Any idea folks!

[hermanntrude]

here's a good website for that type of thing:

 

sheffield chemputer isotope pattern calculator

[ChemSiddiqui]

thanks hermanntrude! Appreciate it!

[hermanntrude]

did it work? when i tried it, I couldnt get it to respond. I thought perhaps their servers were down

[ChemSiddiqui]

no herm it didn't. I just said thank you as a gratitute of your intention to help. I did all the calculations myself and filled pages of answer (it wan't just oxalic acid whose fragementation pattern I was after!!!!!!).

[hermanntrude]

i used to use that all the time... i wonder what went wrong... it's a shame

[ChemSiddiqui]

so it did work then(at least use to) .....yeh it is a shame it did look like a good program to use

[John Cuthber]

Does this help?

http://www.massbank.jp/jsp/Dispatcher.jsp?type=disp&id=PR010022&site=1

[hermanntrude]

OK I just checked and the chemputer is back up and running. It doesnt do fragmentation patterns but it DOES do isotopic patterns

 

here's the result for oxalic acid. Better late than never:

 

mass %

90 100.0 __________________________________________________

91 2.3 _

92 0.8

93 0.0