Welcome

This website provides an open-source gas-chromatography (GC)-high resolution mass spectrometry (HRMS) spectral database of archeologically relevant compounds focusing on lipids. Spectra were collected from standards and selected archaeological samples. More information on the database and an analytical workflow where it can be included can be found in the publication:

Korf, A., Hammann, S., Schmid, R., Froning, M., Hayen, H., & Cramp, L. J. (2020). Digging deeper-A new data mining workflow for improved processing and interpretation of high resolution GC-Q-TOF MS data in archaeological research. Scientific Reports, 10(1), 1-9.

Download

You can download the database in JSON format using the link below. GC-HRMS spectral database of archeologically relevant compounds

How to use

The database is free to download and use for everyone, but we request that the publication (Korf, A., Hammann, S., Schmid, R., Froning, M., Hayen, H., & Cramp, L. J. (2020). Digging deeper-A new data mining workflow for improved processing and interpretation of high resolution GC-Q-TOF MS data in archaeological research. Scientific Reports, 10(1), 1-9) is acknowledged. We aim to expand the database in the future. If you have any suggestions for compounds to be included for future versions, please get in touch with us.

The provided database format works best with the open-source mass spectrometry data mining software mzmine. [Schmid, R., Heuckeroth, S., Korf, A. et al. (2023). Integrative analysis of multimodal mass spectrometry data in MZmine 3. Nature biotechnology, 41(4), 447-449.]