LC-QTOF Mass Spectrometry

The Agilent 6530 Q-TOF LC/MS System coupled with an Agilent 1290 Infinity II UHPLC provides high-resolution, accurate-mass measurements for qualitative and quantitative analysis of complex samples. The system combines fast chromatographic separation with time-of-flight mass analysis, enabling both targeted and untargeted workflows.

The instrument supports high-resolution MS and MS/MS acquisition with excellent mass accuracy, making it well-suited for compound identification, structural elucidation, and trace-level detection across chemical, biological, and environmental applications.

Full Scan MS (High-Resolution)

  • Accurate mass measurements across a wide m/z range
  • Enables elemental composition determination

MS/MS (Targeted Fragmentation)

  • Collision-induced dissociation (CID)
  • Structural elucidation via fragmentation patterns

Auto MS/MS (Data-Dependent Acquisition)

  • Automatic selection of precursor ions
  • Ideal for unknown identifcation

Targeted MS/MS

  • Predefined precursor selection
  • High sensitivity for known compounds

All Ion Fragmentation (Data-Independent Acquisition)

  • Simultaneous fragmentation without precursor selection
  • Useful for screening workflows

Electrospray Ionization (ESI)

  • Operates in both positive and negative modes
  • Soft ionization technique producing primarily [M+H]⁺ / [M−H]⁻ ions
  • Na⁺, NH₄⁺, and solvent adducts may be observed
  • Best suited for:
    • Polar to moderatley nonpolar compounds
    • Thermally labile species
    • Biomolecules and small molecules in solution

Atmospheric Pressure Chemical Ionization (APCI)

  • Gas-phase ionization via corona discharge
  • Typically produces protonated or deprotonated molecules with less adduct formation
  • Better suited for:
    • Less polar compounds
    • More volatile and thermally stable analytes
  • MS Acquisition Rate: 50 spectra/second
  • MS Mass Accuracy (+): < 2ppm Root Mean Square (RMS)
  • MS Sensitivity: S/N > 200:1 Measured with 1 pg reserpine on column
  • MS/MS Acquisition Rate: 50 spectra/second
  • MS/MS Mass Accuracy (+): <3ppm RMS
  • TOF Mass range: 50-20,000 m/z
  • TOF Resolution:
    • > 10,000 at m/z 188
    • > 20,000 at m/z 1522
  • Software Platforms: MassHunter
  • Data Analysis: MassHunter Quantitive Analysis, MassHunter Qualitative Analysis, MassHunter BioConfirm

Solvent & Buffer Compatibility

  • Samples should be fully dissolved in LC-compatible solvents
    • Aqueous/organic mixtures (e.g. water, methanol, acetonitrile)
  • Preferred LC-MS grade solvents
  • Preferred additives (volatile)
    • Formic acid
    • Acetic acid
    • Ammonium formate or ammonium acetate
  • Avoid (These can cause ion suppression, contamination and signal instability)
    • Non-volalatile salts (e.g. NaCl, phosphate buffers)
    • Detergents (e.g. SDS, Triton X-100)
    • High Concentrations of DMSO, (>1-2%)

Sample Cleanliness

  • Filter samples using 0.2 µm or 0.45 µm filters or alternatively centrifuge to remover particles
  • Particles can
    • Clog the LC system
    • Damage the column
    • Affect reproducibility

Concentration Guidelines

  • Typical working range:
    • Low nM to low µM for most analyses
  • For unknowns:
    • Start ~1-10 µM and dilute as needed
  • Overly concentrated samples may:
    • Cause detector saturation
    • Increase ion suppression
    • Lead to poor quantitation

Sample Submission Form

PDF version of the sample submission form is available for reference or offline use. Additionally, a from is available through iLabs as well.

Service (per hour)UVM UsersExternal Users
User Instrument Time$30.52*
Staff Assisted Use$99.79$149.69
Training Session$99.79
Prices as of July 1, 2026* Only Chemistry Department Personnel can be trained