Hi all,
Over the last few months I have been trying to identify metabolites from human plasma. I continually see neutral losses of 86. I have search the literature and haven't come across anything that makes sense with human samples. If anyone has suggestions I'd appreciate it.
Thanks!
Do you have a more exact mass? Without some more digits it is impossible to tell for sure.
I have observed [M-CO2-C3H6] at 86.0368.
If you have exact mass you can use the Rdisop package for R to get an idea of the possibilities (http://www.bioconductor.org/packages/2. ... disop.html (http://www.bioconductor.org/packages/2.11/bioc/html/Rdisop.html)).
Like this:
decomposeMass(43.99, ppm=20, mzabs=0.01)
Unfortunately I only have accurate mass on the parents. I used a TOF and then an IT for MS/MS. I will keep that in mind, thanks.