RECETOX reference spectrum of mass spectra

The RECETOX Mass Spectrum Reference Libraries is a collection of MS spectra collected from authentic compounds. Each library comprises the spectra in MSP format and an accompanying SDF database of compounds. The collection is shared under terms & conditions of CC-BY-NC.

The RECETOX Exposome HR-[EI+]-MS library is a collection of mostly anthropogenic compounds. Spectra were acquired at 70 eV on Thermo Fisher Q Exactive™ GC Orbitrap™ GC-MS/MS at 60000 resolving power. Archived at: 10.5281/zenodo.4471217.

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RECETOX GC EI Orbitrap Compounds 20201028
HR-[EI+]-MS compound database
.sdf 1 MB
RECETOX GC EI Orbitrap Spectra 20201028
HR-[EI+]-MS spectral library
.msp 1 MB

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