RECETOX Mass Spectrum Reference Libraries

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.

The RECETOX Metabolome HR-[EI+]-MS library is a collection of mostly endogoenous compounds from MetaSci Human Metabolite Library. Analytes underwent methoximation/silylation prior to acquisition. 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.5483565.

 

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RECETOX Exposome HR-[EI+]-MS compounds_20201028
RECETOX Exposome HR-[EI+]-MS compounds_20201028
.sdf 1 MB
RECETOX Exposome HR-[EI+]-MS spectra_20201028
RECETOX Exposome HR-[EI+]-MS spectra_20201028
.msp 1 MB
RECETOX Labelled Compounds HR-[EI+]-MS spectra_20210818
RECETOX Labelled Compounds HR-[EI+]-MS spectra_20210818
.msp 29 kB
RECETOX Metabolome HR-[EI+]-MS compounds_20210818
RECETOX Metabolome HR-[EI+]-MS compounds_20210818
.sdf 263 kB
RECETOX Metabolome HR-[EI+]-MS spectra_20210817
RECETOX Metabolome HR-[EI+]-MS spectra_20210817
.msp 1 MB

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