Mass spectrometry
About the instruments
GC-MS Agilent 6890N/5973
GC-MS column selection
GC-TQ-MS Shimadzu 8050 NX
LC-MS Shimadzu 8060 TQ
LC-MS Shimadzu 9030 quadrupole time-of-flight MS
LC-MS ThermoScientific QExactive Orbitrap (+ IR spectroscopy)
MALDI-ToF-MS Shimadzu AXIMA Confidence
GC-MS
Short name: GC-MS
Instrument location: KCL 3
Date of acquisition: February 2004
Open-access GC-MS instrument with 100-position sample changer and 20-meter column installed.
Standard operating procedure
GCMS 8050NX
Short name: GC-TQ-MS
Instrument location: KCL 3
Date of acquisition: December 2019
Shimadzu 8050 NX triple quadrupole (TQ) GC-MS with liquid injection, solid-phase micro extraction (SPME), and headspace analysis autosampler. Triple quadrupole MS instruments allow quantitation of compounds, collision-induced dissociation (CID), & multiple reaction monitoring (MRM). Equipped with an electron ionization (EI) source, a chemical ionization (CI) source, and a flame ionization detector (FID).
LC-MS Shimadzu 8060 TQ
Short name: 8060
Instrument location: KCL 3
Date of acquisition: January 2020
Service only Shimadzu LCMS-8060 triple quadrupole liquid chromatograph mass spectrometer (LC-MS/MS). Triple quadrupole MS instruments allow for quantitation of compounds, collision-induced dissociation (CID), and multiple reaction monitoring (MRM) with high sensitivity. The UPLC system includs a fluidic system with two different solvents, three trays for up to 54 samples each (in GC vials), three UPLC columns (see list below) and a photo-diode array (UV/Vis) detector. 96 and 384 well plates can be used for screening projects; please reach out first.
Column 1: Shim-pack Scepter C18-120 1.9mum - 2.1 x 50mm
Column 2: Shim-pack Scepter C18-120 1.9mum - 2.1 x 100mm
Column 3: Shim-pack Scepter C8-120 1.9mum - 2.1 x 100mm
Different columns can be installed on demand.
Standard solvents available for LC separation:
Water (with 0.1% formic acid or 10mM NH4Ac)
Methanol (with and w/o 0.1% formic acid or 10mM NH4Ac)
Acetonitrile (with and w/o 0.1% formic acid or 10mM NH4Ac)
Different solvents can be used on demand.
Shimadzu 9030 QToF
Short name: 9030
Instrument location: KCL 3
Date of acquisition: January 2020
Shimadzu LCMS-9030 quadrupole time-of-flight high-performance liquid chromatograph mass spectrometer for high-resolution MS.
Service only high-resolution Q-tof MS instrument with an UPLC system, including a fluidic system with two different solvents, three trays for up to 54 samples each (in GC vials), three UPLC columns (see list below) and a photo-diode array (UV/Vis) detector. 96 and 384 well plates can be used for screening projects; please reach out first.
- Column 1: Shim-pack Scepter C18-120 1.9mum - 2.1 x 50mm
- Column 2: Shim-pack Scepter C18-120 1.9mum - 2.1 x 100mm
- Column 3: Shim-pack Scepter C8-120 1.9mum - 2.1 x 100mm
Different columns can be installed on demand.
Standard solvents available for LC separation:
- Water (with 0.1% formic acid or 10mM NH4Ac)
- Methanol (with and w/o 0.1% formic acid or 10mM NH4Ac)
- Acetonitrile (with and w/o 0.1% formic acid or 10mM NH4Ac)
Different solvents can be used on demand.
LC-MS ThermoScientific QExactive Orbitrap (+ IR spectroscopy)
Short name: Orbi
Instrument location: KCL 3
Date of acquisition: August 2019
Service only high-resolution QExactive Orbitrap FT-MS instrument with a Dionex 3000 UPLC system, including a fluidic system with up to four different solvents, three trays for up to 40 samples each (in 2 mL GC vials), one UPLC column, a UV/Vis photo-diode array (PDA), and a fluorescence (FL) detector.
The structural mass spectrometry extension on this instrument allows for recording of infrared spectra of mass-selected ions in the gas phase. Read more about the technique here.
Software for opening and converting .raw files: http://msfragger.nesvilab.org/tutorial_convert.html
Available to Yale researchers & external researchers
Mass spectroscopy meets infrared spectroscopy
Structural insights into cold, mass selected ions: Infrared action spectroscopy of cold, mass selected and tagged ions in the gas phase allows for insights into the three-dimensional conformation of molecules and their fragments, binding sites of solvation events, and other types of inter-molecular interactions.