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batch process to search old GC-MS runs for acertain compound
Posted: Tue May 28, 2013 10:04 pm
by dhdh
I found several interesting compounds in some GC-MS runs. Is there a way (automated batch processing) to look through several years worth of GC-MS data files to see if that compound (or spectra) was present in the previous samples? The retention time wouldn't be the same over the years, but the MS ions and ratios should be similar. I have Agilent Chemstation & AMDIS software.
Re: batch process to search old GC-MS runs for acertain comp
Posted: Wed May 29, 2013 7:13 am
by chemstation
Hi dhdh,
I posted something about doing this in the following link
Search for a spectrum in another 100-500 gc-ms runs.
viewtopic.php?f=4&t=6420&p=29016&hilit=+batch#p29016
I just realised that was back in 2007
, time flies
Alex
Re: batch process to search old GC-MS runs for acertain comp
Posted: Wed May 29, 2013 9:07 am
by Peter Apps
Apologies for a slight thread hijack --
Chemstation, your other post that you linked to makes me think that you are something of an expert with AMDIS. Would you mind if I picked your brains ?
Peter
Re: batch process to search old GC-MS runs for acertain comp
Posted: Wed May 29, 2013 12:04 pm
by chemstation
Hi Peter,
I wouldn't claim any expertise, just experience.
email me at
chemstation
AT
gmail
DOT
com
Alex
Re: batch process to search old GC-MS runs for acertain comp
Posted: Wed May 29, 2013 2:03 pm
by Peter Apps
Thank you Alex, I will be in touch.
Peter
Re: batch process to search old GC-MS runs for acertain comp
Posted: Wed May 29, 2013 7:58 pm
by dhdh
Alright! Thanks Alex. I dabbled in AMDIS when it first came out, but didn't get very far. If I get this to work, it should keep me busy (even after retirement when I no longer have access to an instrument). Thanks for the detailed step-by-step instructions. Excellent! Dan H
p.s. Speaking of "how time flies", would you (or anyone) know where I can get someone to transfer 1988-era GC-MS data files from the old HP tapes to CD or DVD?
Re: batch process to search old GC-MS runs for acertain comp
Posted: Thu May 30, 2013 7:07 am
by chemstation
Hello Dan,
Happy to be of assistance for AMDIS,
For the tapes, a search of the forum came up with a thread
Where to turn? Bringing a 5890/5970 GC/MS back on line
viewtopic.php?f=3&t=12548
that was written in 2010, in which the author describes
tape drive issues and repairs. He may know.
I'm guessing you have had this problem for a while
http://ww2.chemistry.gatech.edu/~bostwi ... ifutil.txt
Alex
Re: batch process to search old GC-MS runs for acertain comp
Posted: Fri May 31, 2013 6:59 pm
by dhdh
Thanks Alex, glad you're here! Yes, sigh, every so often I check for solutions (to my 2nd question). They stopped making the tape drives (and anything compatible) at least 20 years ago. My last hope now is to find someone with a working system (tape drive plus the PC with HP-IB card and cables) who will do it for hire. Dan
Hello Dan,
Happy to be of assistance for AMDIS,
For the tapes, a search of the forum came up with a thread
Where to turn? Bringing a 5890/5970 GC/MS back on line
viewtopic.php?f=3&t=12548
that was written in 2010, in which the author describes
tape drive issues and repairs. He may know.
I'm guessing you have had this problem for a while
http://ww2.chemistry.gatech.edu/~bostwi ... ifutil.txt
Alex