introduce litterature mass spectra in a Chemstation library

[sebastien.hooghe]

Hello,

I was able to do it before but I cannot do it anymore...

I often read articles in litterature about new molecules found in aromatic natural extracts. The mass spec datas are given in the articles and I know it's possible to enter them in a user ms library.

Does somebody know how to do it ?

For example : 4-methyl-1-nonanol : 140(1) 112(17) 97(21) 84(30) 69(85) 57(100) 56(80) 41(84)

Thanks a lot.

Sébastien Hooghe
Danisco Flavours

[WK]

Sebastien,
How do you know that the spectra will be reproduced on your particular instrument?
WK

[chemstation]

Sebastien,
Assuming you're using GCMS chemstation software.
You need to have selected the 'supplemental' during installation
find the Createms.mac file in the MSDChem directory
copy the Createms.mac file to MSDChem\msexe directory
then in the comand line, type

macro _EXEPATH$+"createms.mac", go

and enter the values, if you don't see the spectrum, type

Draw 1,X

and you will see your spectrum, you can now click on Spectrum,Edit Library, add new Entry. and fill out details N.B. make sure you put in the correct MW otherwise the library matching won't work properly.

Alex