Metabolomics

The Mass Spectrometry and Metabolomics Core is an open access resource where researchers and facility staff perform small molecule, macromolecule, and metabolomic analyses using 12 mass spectrometers. The Core is located in 3400 sq. ft. of laboratory space (newly renovated in 2023) in the basement of the Biochemistry Building (Rooms 11, 15, 17). Core staff provide training in experiment design, theory and operation of instruments, method development, and data interpretation. Trained instrument users enjoy 24/7 open access for instrument use and hourly or per-sample fees are charged based on the instrument. The facility houses three GC/MS systems: one single quadrupole GC/MS (Agilent 5975C, equipped with a CTC PAL autosampler as well as a Teledyne AtomX XYZ purge-and-trap accessory), one triple quadrupole GC/MS/MS instrument (Agilent 7010B equipped with a CTC PAL autosampler and capabilities for headspace analysis and a Chromtech TDAS 2000 system for thermal desorption analysis) and one GC-Time-Of-Flight MS (Leco GC-HRT+) capable of providing accurate mass measurements. There are a total of 8 LC/MS/MS instruments: four triple quadrupole LC/MS/MS systems (Waters Xevo TQ-XS, Xevo TQ-S micro, Xevo TQ-S, and Xevo TQ Absolute XR), one Thermo Q-Exactive LC/MS/MS, two Waters Xevo G2-XS QTof LC/MS/MS systems and a Sciex ZenoTof 7600 LC/MS/MS.  The core also houses a Bruker ultrafleXtreme MALDI-TOF/TOF with imaging capabilities and an HTX M3+ sprayer for MALDI imaging sample prep.  A Waters eλ photodiode array detector is configured on one of the QTof LC/MS/MS instruments. All mass spectrometers are equipped with autosamplers, and all of the LC/MS instruments are interfaced to UHPLC pumps. Untargeted processing of LC/MS data is achieved using Waters Progenesis QI and Thermo Compound Discoverer software, and Agilent Profiler and MassProfiler Professional (MPP) software is used for untargeted analysis of GC/MS data. Software for MALDI data analysis includes SCiLS Lab (imaging data) and PolyTools (polymer data)