RECETOX Exposome HR-[ESI]-MS library

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

The RECETOX Exposome Pesticide HR-[ESI]-MS library is a collection of pesticides obtained from Restek Corporation. The RECETOX Exposome Pharmaceutical HR-[ESI]-MS library is a collection of pharmaceuticals selected from Prestwick Chemical Libraries.

Compounds were analyzed by liquid chromatography coupled to a Thermo Scientific™ Orbitrap Fusion™ Tribrid™ Mass Spectrometer. Reversed-phase chromatography was performed using a pentabromobenzyl column. Tandem mass spectra were acquired via data-dependent acquisition with higher energy C-trap dissociation and real-time collision energy optimization for positive and negative mode electrospray ionization. The scan range was 85-1275 m/z with MS1 collected at 120K and MS2 at 60K resolving power.