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Targeted Metabolomics


For quantitative targeted analyses, the facility has two UPLC triplequadrupole MS instruments: the Waters Acquity UPLC Quattro Premier and a new Acquity UPLC Premier with TQ-Absolute MS detector.
Both instruments are equipped with column managers for a variety of UPLC column chemistries (column dimensions: 4.6 x 50 mm, 1.7 or 2.5 µm particle size) and solvent systems:
  • BEH C4
  • BEH C18
  • CSH-Phenylhexyl
  • CSH-Fluorophenyl
  • BEH Amide
  • HILIC 
Standard gradient systems include: formic acid, acetic acid, or ammonium formate with acetonitrile or methanol. 
The systems can also utilize user's custom columns and solvent systems as necessary. Gradient run times are typically 5 mins/sample. A complete sample set with 50 samples including calibration curve and QC standards can be run in 4 hrs.
The TQ-Absolute has a multiplate sample organizer able to accomodate up to ten sample plates. Both instruments can accept 48-well vial plates or round bottomed shallow 96-well plates.
Sample login is via the OpenLynx OpenAccess Manager for walk-up access. Sample information can be easily transferred from an Excel template.  The instruments can be run in either training mode or with dedicated user methods. In training mode, the instrument automates acquisition of the appropriate parent-daughter m/z transitions and instrument parameters (CV, CE). Users only need to provide an analyte name, nominal mass and a clean standard (0.5 ml of 10 µM stock). For repetitive analyses, users can also select from tehir own dedicated methods based on established parameters.
Data are processed using TargetLynx software for analyte quantitation and generation of reports.
To reserve instrument time use for the Waters Quattro Premier and TQ-Absolute use the QQQ Reservation Calendar. Validated users can request calendar access from staff.
TripleQuad Logbooks:
Methods and Consumables
Use the QQQ Template Form as a guide when designing QQQ experiments. Edit and adapt as necessary. We also recommend you read the chapter by Selinger, Fung and Bryant on "Bioanalytcial method validation and bioanalysis in regulated settings" for useful information on how to evaluate high quality, robust quantitative assays. Additional validated methods for specific analyte classes can be found in the Resources Section.
Sample vials and plates can be ordered from LEAP PAL Parts (Trajan Scientific), USA Scientific or Waters
Plates can be sealed with piercable adhesive or heat-sealing films. A plate heat sealer is available in the facility
Low volume insert (LVI) vials and caps: 


  • KLAP.11092357 La-Pha-Pack Vial Integrated, 300 µL glass vials with screw enclosure 12x32 mm, Pk of 100
  • KLPP.10204 L-MARK LVI Vial 9mm screw top, 300 µL poylpropylene 12x32 mm, Pk of 100
  • KLPP.009-03-9078 L-MARK 9 mm Blue Screw Cap w/ White/Silicone, Red/PTFE 1 mm thick septa, Pre-slit, Pk of 100
96-well Plates

Please use full skirted 350 µL polypropylene 96-well plates (round or v-shaped bottom)


  • #209003 Porvair 96-well polypropylene plate, round bottom, full skirted, non-sterile, Cs 100/plates National Scientific

National Scientific

  • 1830-9600 PLATEONE® 96-well polypropylene plate, V-shaped bottom (full skirted), non-sterile, Cs 80/plates
  • 2923-5000 NAL-96 Pierceable Sealing Film, non-sterile, Box 50/sheets


  •  186002643 Waters 96-well polypropylene sample collection plate, pyramidal bottom, 350 µL, full skirted, non-sterile, Cs 100/plates






Recent UCI MS Publications