Service of advanced mass spectrometry analysis. Orbitrap is a service created in 2015 to provide analytical support to R+D+i activities internally to IDAEA staff and students and other CSIC institutes and externally to university, public organizations and industry. The primary role of this Service is the analysis of substances at trace levels in environmental and food matrices by liquid chromatography coupled to high resolution mass spectrometry and electrospray ionization (LC-ESI-HRMS). The performance of LC-HRMS-Orbitrap system that differentiates against other LC-MS systems is the accurate mass measurements (AMM) of isolated compounds and their fragmentation products on food and environmental samples.
Orbitrap-Exactive HCD (Thermo Fisher Scientific, Bremen, Germany) with ESI and heated H-ESI II sources coupled to two liquid chromatograph pumps (HPLC: Pmáx 5800 psi, UHPLC: 18130 psi) and a refrigerated autosampler. The system includes a HCD collision cell of high energy.
Resolution: 100 000 (m/z 200, 1 scan/sec).
Accuracy is <3ppm and <1ppm with external and internal calibration, respectively.
m/z range: 50 to 4000 (multicharge).
Acquisition modes: Full Scan and All Ion Fragmentation (AIF).
EXAMPLES OF ANALYSIS:
Examples of priority and emerging organic compounds studied: Drugs, cytostatic compounds, haloacetic acids, surfactants, perfluorinated compounds, pharmaceuticals, pesticides, marine toxins, cyanotoxins, lipids, triglycerides, etc …
Examples of analyzes carried out:
Non-target multi-analysis of organic compounds by LC/ESI-HRMS.
Characterization of compounds by accurate mass measurement (AMM) and ultra-HRMS.
Metabolite analysis by LC/ESI-HRMS and fragmentation without pre-selection of the precursor.
Analysis of degradation products by LC/ESI-HRMS and HCD fragmentation.
Determination of isotopic profiles by ESI-HRMS.