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HELP: library and structure formula
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Simon
Dec 30, 2002, 4:41:44 PM12/30/02
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I have recently create NIST library from the *.MSP file but now I have a
problem. I would like to insert the structure formula of the compounds in
the database. I have seen that in order to insert a structure in the
database it is necessary to create a file with extension .stb in the same
directory in which the .msp database file has been created. Moreover the
.stp file must have the same name of the .msp file. My question is what
program must I use to create the structure formula to insert in the *.msp
mass spectra database? Can I use the ISIS/DRAW software to save a .mol file
and convert it in the .stb file format with some software tool or I must
follow another way?
problem. I would like to insert the structure formula of the compounds in
the database. I have seen that in order to insert a structure in the
database it is necessary to create a file with extension .stb in the same
directory in which the .msp database file has been created. Moreover the
.stp file must have the same name of the .msp file. My question is what
program must I use to create the structure formula to insert in the *.msp
mass spectra database? Can I use the ISIS/DRAW software to save a .mol file
and convert it in the .stb file format with some software tool or I must
follow another way?
If you can help me please write to the follow E-MAIL address: dto...@tin.it
Thank you very much for your help.
Simone
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