Agilent MassHunter Qual software equivalent for LC/MS

[mcoote]

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.

[jimgorum]

Hi, have you tried OpenChrom?

[mcoote]

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.

[chemstation]

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

[eselmeister]

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.

[mcoote]

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.

[MMJ88]

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.

[Intechsci]

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

[Ian_R]

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

Trial period is free and pretty reasonable after that.