Page 1 of 1

agilent ms library convert to shimadzu library

Posted: Tue May 19, 2015 11:27 am
by HONARFAR
I have a library from agilent 5973 BUT my instrument is shimadzu QP5000. How can I convert that library to shimadzu library format ".Lib" ?? :(

Re: agilent ms library convert to shimadzu library

Posted: Tue May 19, 2015 6:16 pm
by James_Ball
Is this a library you build or is it the NIST library used for searching from Chemstation?

If it is the NIST version and you have the original disks you may be able to load it on the Shimadzu since the disks usually carry multiple formats.

From the NIST page on the SIS website.

"Mass Spec Data System Compatibility

Instructions by MS manufacturer:

Agilent ChemStation (or MassHunter) - The Agilent version of NIST is recommended for GC/MS ChemStation or MassHunter, as this provides the most seamless integration with Agilent data systems. This version includes a copy of the NIST library formatted in the Agilent library format (*.L) with structures, for searching by Agilent's PBM library search routines. Also, Agilent ChemStation (*.D) and MS Engine (*.MS) can be imported into AMDIS using the standard version of NIST. For LC/MS ChemStations (which don't use the .L library format), the standard version of NIST will work just as well.
Thermo (Finnigan) - The standard version of NIST can be used with Xcalibur, which integrates directly with the Xcalibur data system. Also, Xcalibur Raw (*.raw), Finnigan GCQ (*.MS), INCOS (*.MI), ITDS (*.DAT) can be imported into AMDIS using the standard version of NIST. The NIST library in the Thermo Spectral ID is available in the multiformat version of NIST.
Varian Saturn - The standard version of NIST can be used. Also, Varian (*.MS), SMS (*.sms), and XMS (*.xms) can be imported into AMDIS using the standard version of NIST.
Waters MassLynx - The standard version of NIST is recommended, at least for MassLynx versions > 4.0. On search, the spectra is automatically transferred into the NIST MS Search window for library searching. (Older MassLynx versions only support the native MassLynx library format, which is available in the multiformat version of NIST and Agilent/Other version. In fact, newer MassLynx versions continue to support this method as well, but the information displayed has been reported to be more limited than with NIST MS Search--e.g. in terms of information displayed, search time, and 8-digit CAS number limit.) MassLynx NT (*.) can also be imported into AMDIS using the standard version of NIST.
Waters Empower - Contact us for details. Please tell us what version of Waters Empower you are using.
Shimadzu: NIST in the native Shimadzu GCMSSolution library format is available in the multiformat version of NIST, allowing searching (.qgd) directly from the Shimadzu software. The native Shimadzu library format has only been tested on recent 2.x versions of GCMSSolution software. Chemical structure diagrams are not included in the native Shimadzu format itself, though you can still browse structures in the NIST MS Search software. Alternately, using only the standard (or any other) version of NIST, it is possible to import old Shimadzu QP5000/QP5050 "CLASS-5000" software MS (*.R*) files into NIST AMDIS, for searching instead from the NIST MS Search software, but this approach does not work with the newer .qgd files without first converting the .qgd to .cdf (e.g. using MASSTransit).
PE TurboMass (*.raw) files can be imported into NIST MS Search via AMDIS using the standard version of NIST. NIST MS Search may also be directly integrated with the PE TurboMass software (but call us for instructions). Also, NIST in TurboMass library format (.IDI/.IDB/.PDB/.PDI), where TurboMass will do the library searching without MS Search, is included the Agilent/Other version of NIST (and it is also in the multiformat version of NIST). Agilent/Other version of NIST is recommended for maximum flexibility.
Bruker .MSF files can be imported into AMDIS using the standard version of NIST.
INFICON GCMS (*.acq) can be imported into AMDIS using the standard version of NIST.
JEOL/Shrader/GCMate (*.lrp) can be imported into AMDIS using the standard version of NIST. Shrader also has direct interfaces into the standard version of NIST. Contact us for details.
Kratos Mach3 (*.run) can be imported into AMDIS using the standard version of NIST.
Micromass (*.) can be imported into AMDIS using the standard version of NIST.
Others/NetCDF (*.cdf) can be imported into AMDIS using the standard version of NIST. NetCDF is a vendor-neutral format supported by a number of data systems and GC/MS format conversion software (e.g. GC/MS File Translator and MASSTransit).

(The above list is somewhat of a moving target. Please drop us an e-mail if anything here is incomplete.)"

Re: agilent ms library convert to shimadzu library

Posted: Wed Aug 05, 2015 11:49 am
by u0008355
You could get in touch with Philip Wenig, the maker of Openchrom [philip.wenig@googlemail.com]‎, he has a lot of experience of converting between many different formats and he may be able to help you. Currently, I think Openchrom only allows you to convert from Shimadzu library format to .msp, which you can convert to Agilent and NIST format, but I am not sure if the other way around might be supported as well...

Re: agilent ms library convert to shimadzu library

Posted: Wed Sep 25, 2019 11:42 pm
by Henrylozano
HONARFAR wrote:
I have a library from agilent 5973 BUT my instrument is shimadzu QP5000. How can I convert that library to shimadzu library format ".Lib" ?? :(



Hello, you did it?