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Instrumentation

Mass Spectrometry

  • Agilent 6560 Ion Mobility-QTOF mass spectrometer and Agilent 1290 UPLC System
  • Agilent 6546 Q-TOF mass spectrometer with high-resolution ion mobility (MOBIE SLIM by MOBILion ) and Agilent 1290 Infinity II UPLC
  • Thermo Fisher Scientific ID-X Tribrid MS and Vanquish UPLC System
  • Thermo Fisher Scientific Eclipse Tribrid w/ ETD and PTCR and Nano 2D UPLC System
  • Thermo Fisher Scientific Exploris 480 with Vanquish Horizon UPLC System and ZipChipTM CZE System
  • Thermo Fisher Scientific Exploris 480 with Easy NanoLC 1200 System (x2)
  • Thermo Fisher Scientific TSQ Altis Triple Quadruple Mass Spectrometry with Vanquish UPLC 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 UPLC System
  • Thermo Fisher Scientific Eclipse Tribrid with PCTR, ETD, UVPD, and Vanquish Neo nanoLC system
  • Thermo Fisher Scientific iCAP RQ ICP-MS with Ultimate 3000 LC System and an ESI SC-2DX autosampler
  • Agilent 6495 Triple Quadrupole Mass Spectrometers with Agilent 1290 Infinity II UPLC system (x2, PFAS ready)
  • Bruker Autoflex maX MALDI TOF
  • Agilent 5975 GC/MS with NIST and Wiley Libraries
  • Thermo Fisher Scientific Exactive Plus with UltiMate 3000 UPLC System and Advion nanomate (robotic direct infusion from a chip) for elemental composition determinations to support synthetic chemistry
  • Thermo Fisher Scientific Orbitrap Exploris GC 240 with Headspace and SPME w/ Spectral Libraries

Software for Experimental Design and Data Analysis

Proteome Discoverer 2.4, LipidSearch 4.1, Compound Discover 3.1, TraceFinder 5.0, XCaliber 4.3, and MSiReader v1.00 and RastirX for MSI Experiments. Each software suite operates on an independent, high-performance computer with four processors. MSiReader and RastirZ development are in-house and ongoing throughout the project funding period; RastirZ is an innovative extension of RastirX to enable the imaging of non-flat samples with an arbitrary ROI. 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 Acquisition and Processing, RT BBO iProbe, VT, and SampleXpress Automatic Sample Changer
  • Bruker Avance NEO 500 MHz NMR with TopSpin 4 Acquisition and Processing, BBO PRODIGY LN2-Cryoprobe, 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 He Cryoprobe, TXI 1H-13C/15N-2H Probe, VT, and SampleXPress Automatic Sample Changer
  • Bruker Avance III 700 MHz NMR with TopSpin 3.5 Acquisition and Processing, TCI 1H-13C/15N-2H He CryoProbe, TXI 1H-13C/15N-2H Probe, VT, and SampleXpress Automatic Sample Changer
  • Varian Inova 400 MHz NMR with VNMRJ4.3 Acquisition and Processing, VT, 5 mm PFG gradient 4-nuclei probe (1H/19F/13C/31P)
  • E500-10/12 EPR System with Digital High-Resolution Hall Field Controller and Dual Channel Signal Processing Unit

Software for Data Analysis

Workstation with nmrPipe, nmrView, Topspin, Chenomx and Sparky is 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
  • Walk-in crystal growth chambers with vibration damping cradles for crystal tray storage (4°C/18°C)
  • 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.