Chromatography Forum

Hi All,

I have collected a number of LC/MS spectra on an Agilent 6520 Accurate-Mass Q-TOF LC/MS and previously analyzed them on MassHunter Qual software. I am compiling the information into my dissertation now and was wondering if there is any free/open source type of software that can read this file (it is stored in a *.D directory format) and do simple manipulations (e.g. BPC or other extractions, integration)? The school has one machine/license running MassHunter which makes it difficult to access when people are running samples so I'm seeking an alternative software package. Any ideas would be most appreciated as regrettably, I don't have the means to purchase the MassHunter software. Thanks,

M.

Hi, have you tried OpenChrom?

I downloaded it (all 280MB) Friday night and after installing on my Windows 7 Ultimate box, it would not run. Also tried Unichrom which installed but would not read the file.

When back at the School, export all the file as an mzXML file, so it is in a generic format that can be read by other Software.

n.b. that if you have applied smoothing in Qual, then this may become the exported Chromatogram, and you have to re-export it.

kind regards
Alex

I downloaded it (all 280MB) Friday night and after installing on my Windows 7 Ultimate box, it would not run. Also tried Unichrom which installed but would not read the file.

Which errors occurred? Maybe you have downloaded the 64-bit version but running a 32-bit Windows or vice versa? I could try to guide you through the first steps.

I should have screen capped the error message; IIRC it was along the lines of a compiler problem but I'm nowhere near certain. I did select the 32 bit version for my machine; perhaps I should try again. I did find the ACD makes a spectra analyzer (Spectrus) and it has a free trial period. I d/l it and it seems to be adequate however I am still interested in OpenChrom because after 30 days with ACD I'm back to square one.

Also, thanks Alex for the export idea....simple but I hadn't thought of that Next time I'm there I will try that with a few files and see how it turns out; hopefully MassHunter will support it.

If you can access the computer with MassHunter briefly, you can load all the chromatograms you are interested in, select them all (shift + click) and select "Actions > Export All Chromatograms to CSV files". This will give you generic CSV files that can easily be graphed in many programs.

MassHunter comes with two licenses when purchased. You should be able to install it on a data analysis pc without issue.

How about Mnova MS ? http://mestrelab.com/software/mnova/ms/

Trial period is free and pretty reasonable after that.