Convert a MS library Agilent to perkin Elmer or thermo

[DAMI]

Hi,

I want to know if it's possible to convert a MS library Agilent to a MS library which can be used with a GC/MS perkin elmer or DSQ thermo.
I have the following files:
-Root.dat
-Header.ind
-Header.dat
-Full.D
-condense.ind
-condense.dat

Thank you in advance for reply

[macgyver]

I assume you are using Xcalibur on the Thermo DSQ?? Xcalibur uses the NIST MS Search program, which means you should be able to use the LIB2NIST program (http://chemdata.nist.gov/mass-spc/ms-se ... _tool.html) to convert from MS ChemStation format libraries to NIST format libraries. It's free!

No experience with Perkin Elmer Turbomass, but I don't think it uses NIST formatted libraries. If Turbomass can handle JCAMP formatted libraries, you can export a JCAMP formatted library from Chemstation and import it into Turbomass. The only other option I know of is to use Masstransit. This can do a direct library conversion from Chemstation to Turbomass libraries. Only problem is it's not a free product - don't know how much, but it's thousands of $, so for only a one time/occasional use, it may be outside your budget.

[DAMI]

Thanks for your help Macgyver.

I downloaded the LIB2NIST, but the soft doesn't recognize the files ".dat", ".D" and ".ind" .
So i don't know how to convert it.

[macgyver]

The Chemstation libraries are actually directories with a .L extension. Sounds like you have the files in a directory without this extension. Create a directory with whatever name you want to call your library and add the .L extension (eg. Test.L). Move the files you have to this directory.

You should have 6 files in the directory with the following names:
Root
Header
Header.ind
Condense
Condense.ind
Full.d

I notice that the list you gave had .dat appended to the Root, Header and Condense files. Remove this extension otherwise the conversion won't work. You should then be able to convert using LIB2NIST.

Good luck!

[DAMI]

Hi Macgyver,

I create a directory "ms.L" with the files:
Root,
Header
Header.ind
Condense
Condense.ind
Full.d
as you can see on the picture:


But, i don't manage to have access to the convert button.
Could you tell me more.
Thanks in advance for your help.

[macgyver]

Yeah, I had the same problem when I played with LIB2NIST yesterday. I think the user interface could do with some work. Anyone from NIST here??

You need to add your library using the Add Input Libraries/Files button. Once you have a library in the Input Libraries or Text Files list, you need to click on the library in this list. The Convert button then becomes active. Click Convert and the new NIST format library will be created in the folder you have specified in the Output Directory field. In your case the library will be named MS.HP.

You don't need to specify the path for the NIST Library field (the top box). Not sure what the purpose of this field is - maybe if you have the NIST Search Program installed? It seems to work without it. Others may be able to explain this.