Mass Spectrometry

• Agilent Intuvo 9000GC / 5977B MSD with NIST Library and MassHunter software
• Agilent 6495C Triple Quadrupole Mass Spectrometers with Agilent 1290 Infinity II UHPLC system (x2, PFAS ready)
• Agilent 6546 Q-TOF MS w/ high-resolution ion mobility (MOBIE SLIM by MOBILion) and Agilent 1290 Infinity II UHPLC
• Bruker Autoflex maX MALDI-TOF
• Thermo Fisher Scientific ID-X Tribrid MS and Vanquish Horizon UHPLC System
• Thermo Fisher Scientific Astral with Vanquish Neo UPLC system
• Thermo Fisher Scientific Eclipse Tribrid with ETD, PCTR, UVPD, and Vanquish Neo UPLC system
• Thermo Fisher Scientific Exploris 480 with Easy NanoLC 1200 System and Vanquish Horizon UHPLC
• Thermo Fisher Scientific Exploris 480 with Vanquish Horizon Flex UHPLC
• Thermo Fisher Scientific Exploris 480 with Vanquish Horizon UHPLC
• Thermo Fisher Scientific TSQ Altis Triple Quadrupole Mass Spectrometry w/ Vanquish Horizon UHPLC System
• Thermo Fisher Scientific Exploris 240 with Custom IR-MALDESI Source (Breadboard for R&D)
• Thermo Fisher Scientific Exploris 240 with Custom IR-MALDESI Source (System for Application)
• Thermo Fisher Scientific Exploris 240 with PFAS Ready Vanquish Horizon UHPLC System
• Thermo Fisher Scientific Orbitrap Exploris GC 240 with Headspace, SPME, and liquid autosampler and NIST and Wiley Spectral Libraries
• Thermo Fisher Scientific iCAP RQ ICP-MS with Ultimate 3000 LC System and an ESI SC-2DX autosampler
• Thermo Fisher Scientific Exactive Plus with UltiMate 3000 UHPLC System for elemental composition determinations to support synthetic chemistry

Software for Experimental Design and Data Analysis

Proteome Discoverer 3.3 with Chimerys search engine, LipidSearch 5.1, Compound Discoverer 3.3 (metabolomics), Chromeleon 7.4 (targeted metabolomics), XCalibur 4.5 (metabolomics), and MSiReader v2.00 and RastirX for MSI Experiments. Each software suite (some with several full licenses) operates on an independent, high-performance computer with four processors. Skyline is also used extensively for targeted analyses (proteomics and small molecule) allowing for direct data sharing with project collaborators.

Magnetic Resonance Spectroscopy

• Bruker Avance NEO 400 MHz NMR with TopSpin 4.5.0 Acquisition and Processing, RT BBO iProbe, VT, and SampleXpress Automatic Sample Changer
• Bruker Avance NEO 500 MHz NMR with TopSpin 4.5.0 Acquisition and Processing, BBO PRODIGY LN2-Cryoprobe, RT BBO iProbe, VT, and SampleCASE automatic Sample Changer
• Bruker Avance NEO 600 MHz NMR with TopSpin 4 Acquisition and Processing, RT BBO Smart Probe and TXI 1H-13C/15N-2H Probe, VT, and SampleXpress Automatic Sample Changer
• Bruker Avance NEO 700 MHz NMR with TopSpin 4 Acquisition and Processing, TCI 1H/19F-13C/15N-2H LHe Cryoprobe, TXI 1H-13C/15N-2H Probe, VT, and SampleXPress Automatic Sample Changer
• Bruker Avance III 700 MHz NMR with TopSpin 3.8 Acquisition and Processing, TCI 1H-13C/15N-2H LHe CryoProbe, TXI 1H-13C/15N-2H Probe, VT, and SampleXpress Automatic Sample Changer
• E500-10/12 EPR System with Digital High-Resolution Hall Field Controller and Dual Channel Signal Processing Unit with nitrogen dewar and helium cryostat for low-temperature experiments.
• InsightMR flow system for advanced reaction monitoring.

Software for Data Analysis

Workstations with nmrPipe, nmrView, Topspin, and Sparky are available to users for data processing and analysis.

X-ray Crystallography

• Rigaku MicroMax007 X-ray generator with Eiger 4M Detector, VariMax-VHF ArcSec Optics, Oxford Cryosystem, and associated peripherals
• Art Robbins Instruments Crystal Phoenix
• Art Robbins Instruments CrysCam Digital Microscope
• Leica Discovery V20 Crystallography stereomicroscope
• Bruker D8 Venture diffractometer using MoKα radiation with an Oxford Cryostream 700 cold stream
• Leica M60 stereomicroscope, equipped with polarizing filters, rotating stage and video camera

Software for Data Analysis

Workstations with Cambridge Structural Database, Reciprocal Net, Phenix, COOT, CCP4, PyMol, and Chimera, are available to users for data processing and analysis.