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Mass Spectrometry Instrumentation

The facility provides nominal and accurate mass measurements using the equipment detailed below.

  • Waters Acquity UPLC-SQD2

    Ion generation:  electrospray ionisation (ESI)

    Mass range:  m/z 50 to 3,000

    Mass resolution:  unit resolution

    Mass accuracy:  ±0.5 Da

    Scan functions:  Full scan (FS), Selected Reaction Monitoring (SRM).

    Simultaneous polarity switching:  possible

    Intact Protein Analysis:  unit resolution of Ubiquitin (8 kDa)

    Sample introduction through: UPLC Liquid Chromatograph with an autosampler and degasser.

    MassLynx software for method setup, data processing, and reporting

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Thermo Vanquish LC connected to Q Exactive Plus Hybrid Quadrupole-Orbitrap mass spectrometer

Thermo Orbitrap Exactive Plus mass spectrometer
  • Ion generation:  heated electrospray ionisation (HESI), atmospheric pressure chemical ionisation (APCI), atmospheric solids analysis probe (ASAP)
  • Mass range:  m/z 50 to 6,000
  • Mass resolution:  at m/z 200 is 35,000 and at m/z 400 is 25,000 at scan rate 7 Hz
  • Mass accuracy:  internal <1 ppm RMS, external <3 ppm RMS under defined conditions
  • Dissociation:  in-source CID, HCD
  • Scan functions:  Full scan (FS), all ion fragmentation (AIF), SIM, parallel reaction monitoring (PRM), data dependent acquisition (DIA), data dependent HCD (ddHCD)
  • Simultaneous polarity switching:  one full cycle in <1 sec (one full scan positive mode and one full scan negative mode at resolution setting of 35,000)during LC-MS run
  • Intact Protein Analysis:  unit resolution of Ubiquitin (8 kDa)
  • Sample introduction through:- (a) direct infusion through a syringe connected to the pump or (b) Vanquisher Liquid Chromatograph with an autosampler  and degasser.
  • Xcalibur software for method setup, data processing, and reporting.
  • Thermo Scientific FreeStyle software to view and analyse data
Agilent 6530 Q-TOF LC-MS/MS system

Agilent 6510 Q-TOF LC-MS system
  • Ion generation:  capillary ESI
  • Mass range: m/z 50 to 20,000
  • Mass resolution: m/z 100 to 3,200 in MS mode while maintaining a resolution of 13,000 at m/z 2,722
  • Mass accuracy: lock mass calibration at set m/z ions of calibration mixture less than 2 ppm
  • Dissociation:  CID
  • Scan functions: full scan (MS), MS/MS, data dependent acquisition
  • Simultaneous polarity switching: during one LC-MS run not possible, either runs in negative or positive ESI mode
  • Intact protein analysis: unit resolution of Ubiquitin (8 kDa)
  • Sample introduction through: (a) direct infusion through a syringe connected to the pump or (b) Agilent 1200 Liquid Chromatograph with an autosampler and degasser.
  • MassHunter Software for method setup, data processing, and reporting
Thermo Scientific Trace 1310 Gas Chromatograph with TrisPlus RSH connected to an ISQ single quadrupole mass spectrometer

Thermo Scientific Trace 1310 Gas Chromatograph
  • Ion generation:  Electron ionisation (EI), Chemical ionisation (CI) with ammonia or methane
  • Mass range:  m/z 50 to 1,000
  • Mass resolution:  one unit resolution
  • Mass accuracy:  ±0.5 Da
  • Dissociation:  EI fragmentation
  • Scan functions:  Full scan (FS), single ion monitoring (SIM)
  • Simultaneous polarity switching:  not possible
  • Small molecules analysis:  volatile, semi-volatile, PAH, steroids and etc.
  • Incubation oven is available up to 200˚C
  • Sample introduction through:- (a) liquid injections;  (b) gases injection through a head-space vials, (c) solid phase micro-extraction (SPME) (d) direct injection of the sample into the GC inlet.
  • Xcalibur software for method setup, data processing, and reporting
Finnigan Accela LC connected to a LTQ Linear Ion Trap mass spectrometer

Finnigan LTQ Linear Ion Trap mass spectrometer
  • Ion generation:  electrospray ionisation (ESI), atmospheric pressure chemical ionisation (APCI)
  • Mass range:  m/z 50 to 2,000
  • Mass resolution:  unit resolution
  • Mass accuracy:  ±0.5 Da
  • Scan functions:  Full scan (FS), Selected Reaction Monitoring (SRM), MSn for multi-stage MS experiments, data dependent acquisition (DIA), ZoomScan for ultimate resolution.
  • Simultaneous polarity switching:  not possible
  • Intact Protein Analysis:  unit resolution of Ubiquitin (8 kDa)
  • Sample introduction through:- (a) direct infusion through a syringe connected to the pump or (b) Accela Liquid Chromatograph with an autosampler.
  • Xcalibur software for method setup, data processing, and reporting
Shimadzu MALDI-8030 mass spectrometer

MALDI micro TOF mass spectrometer
  • Ion generation:  matrix-assisted laser desorption (MALDI)
  • Mass range:  1 to 350,000 Da and 10,000 to 500,00 Da 
  • Modes: Linear; positive and negative polarities
  • Laser:  200 Hz solid-state laser, 355 nm 
  • Mass resolution:  >5,000 FWHM (full width half-height maximum) on ACTH 18-29 (2,465 Da)
  • Mass accuracy:  <200 ppm with internal calibration, <150 ppm with external calibration (nearest neighbour external calibration on fleximass-SR48 steel target)
  • Sensitivity:  250 fmol on bovine serum albumin, 250 amol on Glu-1-Fibrinopeptide B  
  • Sample introduction:  by mixing matrix with sample and laying on the MALDI plate.
  • Shimadzu software for method setup, data processing, and reporting
Acquity UPLC with UV detector connected to Acquity SQD mass spectrometer

Acquity UPLC with UV detector connected to Acquity SQD mass spectrometer
  • Ion generation:  electrospray ionisation (ESI), atmospheric pressure chemical ionisation (APCI)
  • Mass range:  m/z 50 to 2,000
  • Mass resolution:  unit resolution
  • Mass accuracy:  ±0.5 Da
  • Scan functions:  Full scan (FS), Selected Reaction Monitoring (SRM).
  • Simultaneous polarity switching:  possible
  • Intact Protein Analysis:  unit resolution of Ubiquitin (8 kDa)
  • Sample introduction through: (a) direct infusion through a syringe connected to the pump or (b) UPLC Liquid Chromatograph with an autosampler and degasser.
  • MassLynx software for method setup, data processing, and reporting
Waters LCT QTOF Premier mass spectrometer

Waters LCT QTOF Premier mass spectrometer
  • Ion generation:  electrospray ionisation (ESI)
  • Mass range:  m/z 50 to 6,000
  • Mass resolution:  at m/z 200 is 15,000
  • Mass accuracy:  less than 5 ppm external calibration and less than 2 ppm lock-mass calibration
  • Dissociation:  not possible
  • Scan functions:  Full scan (FS).
  • Simultaneous polarity switching:  negative and positive modes
  • Sample introduction through:- (a) direct infusion through a syringe connected to the pump or (b) an autosampler 
  • MassLynx software for method setup, data processing, and reporting
Waters Acquity UPLC connected to TUV detector and SQD2

Waters Acquity UPLC-SQD2
  • Ion generation:  electrospray ionisation (ESI)
  • Mass range:  m/z 50 to 3,000
  • Mass resolution:  unit resolution
  • Mass accuracy:  ±0.5 Da
  • Scan functions:  Full scan (FS), Selected Reaction Monitoring (SRM).
  • Simultaneous polarity switching:  possible
  • Intact Protein Analysis:  unit resolution of Ubiquitin (8 kDa)
  • Sample introduction through: UPLC Liquid Chromatograph with an autosampler and degasser.
  • MassLynx software for method setup, data processing, and reporting