What you want to analyze or interpret from chromatograms. Give detail plz??

We are looking to get some feedback from specialists on complex chromatography treatments. We developed a software comparing automatically 1 chromatography fingerprint to another one or many (library) in RT and RI. We’d like to know if you have any specific needs for us to develop other functionalities

You can contact [email protected], He is analytical chemist and know everything about it!

We are continually using multivariate system of statistics.

Hi David,

one technique I am using for years with success ist Multivariate Data Analysis.

Comparing e.g. multiple indoor VOC analyses by GC/MS has been the method of choice. Why not try Camo's Unscrambler or Umetric's Simca+P ?

What exactly do you want to analyse and interpret,

It sounds like you are looking for a consultant? I believe you will find help in any (organic) chemistry or analytical shemistry setting! I would help as well but now I am not in such setting. Good luck!

Thank you very much for your feedbacks!

@Muhammad: Thank you for the contact! Are you working with him?

@Mohamed: Merci, utilisez vous un logiciel de comparaison automatique de chromatogrammes complexes, votre feedback serait très intéressant ? Thanks, do you use a software processing automatic comparisons of complex chromatograms?

@Ilia and @Peter: I guess you are talking about PLS mathematical treatments which is appropiate in Spectrometry but difficult to apply in Chromatography as there are random variations of retention time linked to the column aging caused by the variety of the injected products in the chromatgraph.

Do Camo's Unscrambler or Umetric's Simca+P solve all your problems and automate the fingerprints very quickly (a few seconds)?

@Adeniyi: We analyse the chromatographic fingerprints

@Joseph: we might be interested in finding a consultant later. Thanks!

@Zahra: I hope the above answers will answer your question.

Sorry, I meant: 'automate the fingerprints comparison very quickly...'

Why don't you use AMDIS from NIST and spectconnect from MIT (online software http://spectconnect.mit.edu/index.php). Both of them are free. First you need deconvulate the chromatograms using AMDIS and submit them into spectconnect where you can create a data matrix (mass and retention time matched). Be careful for retention time shifting, if it is too long, you may not get successful. I mean, you have risk to increase false positive matching.

Hi David,

no, Multivariate Data Analysis is not really difficult in the field of Gas Chromatography / Mass Spec.

Im am using e.g. Camo's Unscrambler for more than half a decade. Even retention time shift ist not a real problem thanks to Camo's COW modul inside the PCA.

Camo and Umetrics both offer a trial license.

I published a paper on: essential oils from mexican spices (chromatographia, 1987).

Avec la CPG, on peut directement comparer nos chromatogrammes avec le logiciel HPCHEMSTATION mais manuellement. On peut observer directement la présence et l'absence de qlqs constituants entre les deux, trois, etc chromatro ?

Can i help u???????what do u want????????? Plz explain

@Emirhan Nemutlu: Thanks for your answer! We know these technics of identification in MS.

Our software allows new treatments in GC or LC for QC or research laboratories like automatic and immediate recognition of vintages or identification of E.O. in perfume and without MS technics.

@Peter Behrend: in QC they need a very precise control of their products in a few seconds. A calibration by PLS requires a lot of data. With our software, you get an identification of ALL components in chromatograms without statistics calculation.

@Mauricio Ondarza: Thanks I had a look at your paper. It’s interesting to notice that since 1987 retention time shifting is still present in GC fingerprints. It could be interesting to know instantaneously the origin of spices by their GC fingerprints (which is now possible with our software)!

@Mohamed Ghanmi

Nous résolvons ce probléme avec le logiciel que nous avons developpé puisque la comparaison de chromatogrammes complexes est désormais rendue automatique et possible en quelques secondes ( 1 chromato peut même être comparé à 1000 autres ou plus...).

Nous recherchons d'autres besoins des laboratoires dans les traitements en GC ou LC.

We are solving this problem with GC-LC CONCORDANCE as the comparison of complex chromatograms is automatic and takes only one second. We are interested in knowing if researchers have needs in GC or LC treatments to make their job much easier and faster.

@Dinesh Kumar: We are interested in knowing if researchers have needs in GC or LC treatments to make their job much easier and faster.

Remembering your starting question

Is there anyone with some experience in automatic QC in GC with essential oils/food aroma or any complex chromatograms?

with software like ex MatchCompare or even with IR FT technology.

Now, I come to the conclusion you do not really need any help, instead may be some confirmation about what you are doing? Why did you not summarise more precisely your questions at the beginning of this 'seesion' ?

Thanks Peter for your remark, I updated the question.

Question:

Is there anyone with some experience (update: we are looking for feedback) in automatic QC in GC with essential oils/food aroma or any complex chromatograms?

Details:

with software like ex MatchCompare or even with IR FT technology - update: we have developed a software automating complex chromatograms comparisons. Some functionnalities (for example: automatic comparison of one chromatogram to a library of chromatograms) have been developed thanks to chromatographists/laboratories in France and we would like to discuss/have new feedback on this subject from the international community.

first of all, in order to make any comments to your software for comparison of of chromatograms, it seems to be meaningful to have access to this software.

As long as I have this software not on my computer, it makes really no sense to give you any 'feedback' about a project you just mentioned.

Some more input from you would be a nice gesture.

Hi Peter,

The purpose of my question is to have some feedback from researchers who are already working with automated QC solutions in GC or wish to work this way. So we could discuss about new applications which are now allowed by this type of process and possibly make some new developments to facilitate them.

Let me know if you wish to have more details that you can't find here - http://chromatography-gc.com/ - about our software.

For example, if you wish we could send you the result (PDF) of an automatic comparison between a reference and some samples of yours. Please send me an email at [email protected] if you want to discuss further about this.

Looks like a sales pitch to me!!

I think, we should keep this forum for supporting colleagues instead marketing actions

If you are interested in an INVITATION for a webinar about automatic comparisons of complex chromatograms, please follow the link below.

http://chromatography-gc.com/?Webinars