Chromatography Forum

I would like to find an online or software utility that helps one to determine possible compounds based on API ms data such as the mass of (M+H+, M+, M-H- ) and fragments seen F+, F-.

An example, I see an organic compound in positive ion mode, m/z 100, fragments of 100 are 41, 69, 58. What can the compound be?

Can anyone help?

Alp

Well unless i misunderstood, that software is generally included with your instrument as part of it's data analysis package. At least later model equipment...

if you do not have the software, I would start here.
http://chemdata.nist.gov/
However, the library itself is not free, it must be purchased through a distributor, e.g. Agilent, etc.
http://www.nist.gov/data/nist1a.htm

you maybe able to search out data here, but not through the means that you have suggested.
http://webbook.nist.gov/chemistry/

gl, i hope that helps you.