Spectrus: Exporting LC/MS chromatograms and spectra for use in other tools

Description
Users may need to export LC/MS chromatograms or mass spectra from Spectrus for processing or reporting in external software. The export should preserve key information such as retention time, m/z, and intensity in a format supported by third‑party tools.

Solution

1. Open the LC/MS dataset in Spectrus.
2. Select the chromatogram or spectrum you want to export:
   • For chromatograms, click on the chromatogram view.
   • For spectra, click on the spectrum view (MS or MS/MS).
3. Go to File > Export (or right‑click → Export).
4. Choose an appropriate export format, for example:
   • Text / CSV – X‑Y data (time vs intensity, m/z vs intensity).
   • JCAMP‑DX – for spectra compatible with many spectroscopy tools.
   • mzML / mzXML – if supported by your Spectrus version and needed by downstream tools.
5. Configure export options:
   • Select full range or a specified time/mass range.
   • Include header information if required by the receiving system.
6. Save the export file to a location accessible to the external software.