Mass Spectrometry

ESI-QToF Mass Spectrometer

• High resolution, high mass accuracy mass spectrometer
• Conventional full-scan MS and MS/MS methods, data-dependent acquisition (DDA), as well as MS(E)

Electrospray Ionization (ESI) Ion Source

• 50 to 4,000 V ESI capillary voltage
• 1 to 200 V sampling cone voltage
• 60 to 18,000 L/hr cone gas flow rate
• 60 to 72,000 L/hr desolvation gas flow rate

Quadrupole, Time of Flight (QToF) Mass Analyzer

• 20 to 100,000 m/z ToF mass range
• 20 to 16,000 m/z quadrupole mass range
• 1 ppm RMS accuracy
• 22,500 FWHM mass resolution
• 2.46 kV (-1.8 kV grid) dual stage reflectron
• 25.2 µPa high vacuum pressure ToF Tube
• 350 V ion guide electrostatic lens
• Up to 30 spectra per second

Collision Cell

• 0 to 255 V collision cell voltage
• Argon collision cell gas
• 42.6 mPa high vacuum pressure collision cell

Sample Constraints

• Direct injection
  • Sample volume range: 0.5 to 30 mL
  • 2 mL HPLC vials or 30 mL reservoir bottles
  • Maximum of 20 samples per batch
• Autosampler-aided direct infusion
  • 75 µL sample loop for analytical flow, 10 µL for micro/nano flow
  • Up to 48x HPLC/CE vials or 2x SBS style deep well plates per batch

ESI-QQQ Mass Spectrometer

• Standard triple quadrupole functions like MRM, precursor, neutral loss, and product ion scan
• QTRAP functionality allows for MS3 (MS/MS/MS)
• Enhanced scanning modes possible such as enhanced mass scans (EMS), enhanced resolution scans (ER), and enhanced product ion scans (EPI)
• 6 orders of magnitude dynamic range

Electrospray Ionization (ESI) Ion Source

• IonDrive Turbo V Ionization Source (NanoSource optional)
• 5 msec polarity switching in MRM and scheduled MRM modes
• Up to 4,500 V ion spray voltage
• Up to 750°C ion source temperature

Triple Quadrupole Mass Analyzer

• 20,000 Da/s scan speed and full scan linear ion trap sensitivity
• 5 to 2,000 m/z triple quadrupole mass range
• 50 to 2,000 m/z linear ion trap mass range
• Dual stage IonDrive QJet ion guide (non-funnel)
• Nitrogen collision cell for fragmentation
• Low, unit, and high resolution for Q1 and Q3

Echo MS System

• Highly reproducible sample analysis using Acoustic Droplet Ejection and Open Port Interface¹
  • Sample acquisition rates of up to 1 second per sample for a single analyte
  • Electrospray ionization for broad compound coverage
• High sensitivity and quantitative robustness using the SCIEX Triple Quad 6500+ mass spectrometer
• Metabolic stability assay screening on the Echo MS system yielded up to 10x greater throughput compared to LC-MS/MS (Figure 1)

MALDI-ToF Mass Spectrometer

• Mass resolution up to 2,000 (at m/z of 1,500)
• Sensitivity down to 500 fmol BSA (66 kDa) with < 50 S/N
• Mass accuracy of < 30 ppm (internal calibration)
• Negative or positive ion modes
• Up to 500 kDa mass range

Laser Ionization Source

• 337 nm wavelength
• 60 Hz laser frequency
• 3 ns pulse width
• 9 mW power
• 1 to 1,000 shots per well

Time of Flight (ToF) Mass Analyzer

• 75 cm length ToF tube
• 2 µBar high vacuum
• Up to 20 kV accelerating voltage
• Up to 20 kV grid voltage
• 0.05 to 10 kV electrostatic lens voltage
• Up to 5,000 ns delay time

Triple Quadrupole Mass Analyzer

• Up to 2 µL of sample per well
• Up to 2 µL of calibrant per well
• 96 wells per experiment

Liquid Chromatography Mass Spectrometer

Liquid Chromatography

• Analytical HPLC
  • 0.1 to 2.2 mL/min flow rate
  • 0.01 inch inner diameter PEEK system tubing
  • Up to 7,000 psi operating pressure
  • In-line degasser
  • Photo diode array detector
  • 190 to 500 nm absorbance
  • 0.5 μL volume
  • 5 to 90°C (± 0.1°C) column compartment temperature range
  • Up to two columns connected in series up to 300 mm maximum in length (15 mm maximum outer diameter)
• Micro/Nano HPLC
  • Performs using micro (1 to 100 µLimin) to nano (10 to 1,000 nLimin) fow rate
  • Optimized for columns from 75 µm to 4 6 mm internal diameter
  • Superior chromatographic resolution with sub-2-µm column particle technology
  • Optimal for applications requiring high sensitivity analysis with limited sample volumes
  • Up to 15,000 PSI operating pressure
  • Integrated vacuum degassing
  • 5 to 90°C (± 0.1°C) column compartment temperature range
  • Single column up to 250 mm maximum length (15 mm maximum outer diameter)
  • High pressure mixing, binary gradient
  • Trap valve manager with two six-port two-position valves
  • Up to four solvents, in combinations of two (A1 or A2, and B1 or B2)

Mass Spectrometry

• QToF
  • High resolution, high mass accuracy mass spectrometer
  • Conventional full-scan MS and MS/MS methods, data-dependent acquisition (DDA), as well as MS(E) acquisition modes
  • 20 to 100,000 m/z ToF mass range
  • 20 to 16,000 m/z quadrupole mass range
  • 22,500 FWHM mass resolution
  • 1 ppm RMS accuracy
  • Up to 30 spectra per second
• Analytical QQQ
  • Performs standard triple quadrupole functions like MRM, precursor, neutral loss, and product ion scan
  • Enhanced scanning modes possible such as MS3, enhanced mass scans (EMS), enhanced resolution scans (ER), and enhanced product ion scans (EPI)
  • 5 to 2,000 m/z triple quadrupole mass range
  • 50 to 2,000 m/z linear ion trap mass range
  • 6 orders of magnitude dynamic range
  • 5 msec polarity switching in MRM and scheduled MRM modes
  • 20,000 Da/s scan speed
  • Full scan linear ion trap sensitivity

Sample Constraints

• 75 µL sample loop for analytical LC, 10 µL sample loop for micro/nano LC
• Sample chamber temperature controlled from 5 to 40°C (± 3°C)
• Up to 48x HPLC/CE vials or 2x SBS style deep well plates per batch

Gas Chromatography Mass Spectrometer

Flow System

• He carrier gas available
• Inlets available:
  • Split/Splitless capillary column inlet
  • Multimode temperature-programmable capillary column inlet
  • Column head pressure up to 100 PSIG

Column Oven

• Temperature range: 30 to 450ºC
• Up to 120ºC/min temperature ramp
• Up to 2 capillary columns
• 0.53 mm maximum column inner diameter

Split/Splitless Capillary Inlet

• Suitable for capillary columns up to 0.53 mm inner diameter
• Split ratio up to 7,500:1 to prevent column overload
• Up to 1,250 mL/min total flow of He
• Inlet temperature 30 to 400ºC

Multimode Capillary Inlet

• Suitable for capillary columns up to 0.53 mm inner diameter
• Split ratio up to 7,500:1 to prevent column overload
• Up to 1,250 mL/min total flow of He
• Inlet temperature 30 to 400ºC
• Temperature programmable with ramp rates up to 900ºC/min

Mass Spectrometry

• Single quadrupole mass spectrometer
• 1.6 to 1,050 m/z mass range
• 100 to 200ºC quadrupole temperature
• 100 to 300ºC ion source temperature
• 100 to 350ºC transfer line temperature
• Scan speeds up to 12,500 m/z per second
• Electron ionization:
  • Dual filaments
• Chemical ionization:
  • Single filament
  • Methane reagent gas
  • Positive and negative mode

Autosampler Rail System

• Vortex mixing up to 2,000 RPM
• Sample incubation 30 to 200ºC
• Liquid, headspace, and solid-phase microextraction sample preparation available
• 0.01 to 100 µL injection volumes for liquid injection
• 25 to 2,500 µL injection volumes for headspace injection
• Headspace syringe heating 40 to 150ºC

Capillary Electrophoresis Mass Spectrometer

CESI 8000 Plus ESI-MS System

• Sample Trays: 2 x 48 CESI vials / 0.3 mL microvials
• Buffer Tray: 2 x 36 CESI vials
• Pressure Delivery Range: -5 to +100 PSI
• Required Sample Volume: 5 µL when using NanoVias
• Zero Dead Volume
• Multi-Detection Capability: UV/VIS, PDA, or LIF detection can be selected in stand-alone CE mode

Waters Xevo TQ-S MS

• Flow Rate: up to 2 mL/min
• Mass Range: 2 to 2,048 m/z
• Scan Speed: up to 10,000 Da/s
• Acquisition Modes: Full scan MS, product ion scan, precursor ion scan, constant neutral loss, selected ion recording, multiple reaction monitoring (MRM)
• Interchangeable Ion Sources: ionKey/MS, APGC, APPI, APCI, ESI, ASAP