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

Simply click on the “tar.gz” or “.zip” icons to download the database. The archive contains the database in 3 different formats, “.msp”, “.json”, and “.jdx”.

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.

All provided database formats work with the open-source mass spectrometry data mining software MZmine 2. [Pluskal et al. (2010), BMC bioinformatics, 11(1), 395]

Perform spectra matching directly for a selected scan

Perform spectra matching for a selected feature list

Support or Contact

If you need any help, please write an issue on the projects GitHub page or send an e-Mail to ansgar.korf@wwu.de