high-resolution mass spectrometer (HRMS)
Advanced hybrid quadrupole-Orbitrap mass spectrometer with high resolution up to 240,000, fast scan speed, enhanced robustness and mass accuracy (<1ppm), and HCD fragmentation. This HRMS system can be coupled either to UHPLC or to direct infusion for applications such as detection, identification, and quantification of small molecules, metabolites, and lipids (Services).
This high performance system combines high sensitivity, excellent accuracy, reproducible precision and the latest workflow developments (i.e. AcquireX) for untargeted analysis of metabolites and lipids in the discovery phase.
Advanced ultra-high performance liquid chromatography (UHPLC) system. With its increased maximum pressure (up to 1500 bar) and biocompatible system design it can be utilized for a wide variety of separations of small molecules, metabolites, and lipids, used in combination with HRMS.
Advanced mass-spectrometer with built-in triple quadrupole and q-trap capabilities
This instrument has fast scan speeds for high-throughput analysis with millisecond polarity switching. This mass spectrometer has several targeted capabilities including multiple reaction monitoring (MRM) for quantitation of metabolites and lipids, neutral loss, precursor and product ion scans. This mass spectrometer also has MS3 capabilities for the qualitative analysis of metabolites and lipids.
The QTRAP system in the facility instrument can be coupled to either a biocompatible Agilent Infinity II 1290 BioLC (metabolomics & lipidomics services) or a PFAS-ready converted Exion LC AD (targeted PFAS analysis).
This instrument is particularly desgined for hypothesis-driven studies, for analysis of low concentration metabolites, and for metabolite quantitation.
EMBL MCF spectral library
Curatr: LC-MS/MS spectral library from over 700 metabolite standards, available online.
EMBL-MCF 2.0: LC-MS/MS spectral library (including retention times for low-adsorption Atlantis Premier BEH Z-HILIC (1.7 µm, 2.1 mm X 100 mm) column)
Download msp-files (high-resolution, untargeted metabolomics): negative mode & positive mode
MRM-Table (QTRAP 6500+; targeted metabolomics)
The content of the the EMBL-MCF library is licensed under the Creative Commons Attribution 4.0 International License (CC BY 4.0) by default.
R Script for removal of low-abundant fragments from *.msp-files: Download
Software