Question

I've been give mass spec data in very simple format .txt files. Each file is two columns, m/z and intensity. There is no header or anything. Are there any programs that can read this file? Or how can I convert this to a file readable by a program such as OpenChrom.

I know I can use Excel, but I'd really like the functionality of dedicated MS programs (simulated peaks, zooming, etc).

UPDATE: Some extra info for anyone with similar issues in the future. The MS measurements were performed via direct infusion on a Waters brand MS. I learned that Waters output files are notoriously opaque, which is part of the reason I was given a .txt output. I asked for the original files and got them. I was able to convert the raw files to mzML with MSConvert from proteowizard. OpenChrom was then able to open and view the spectra. At this point, it's merely a matter of me learning the best software to do what I want to do, i.e. view the full, combined spectra of a direct infusion MS measurement, then pick the picks and export those with predictive spectra.

Thanks to everyone who took a look at this and provided insight.

Answer 1

Yes, there are programs that can read mass spectrometry data in .txt format. OpenChrom is one example, which allows you to view and analyze the spectra. To convert the files to a readable format, use data processing software like MSConvert to convert them to mzML format.

Step-by-step explanation:

Yes, there are programs that can read mass spectrometry data in simple .txt format. One example is OpenChrom, which you mentioned. OpenChrom is a dedicated MS program that allows you to view and analyze mass spectra, simulate peaks, zoom in, and perform other functions specific to mass spectrometry analysis.

To convert your .txt files to a format readable by OpenChrom or other MS programs, you can use data processing software like MSConvert from proteowizard which can convert the raw files to mzML format - a standard format for storing mass spectrometry data. Once the files are converted, you can open and view the spectra in OpenChrom or any other compatible software.