We work with many professors and their students at the University of Ottawa and Carleton. Much of our work is validating molecular formula for new compounds created in the research facilities within these universities.

GC:MS applications

  • Foods: GC:MS is extensively used to analyse free fatty acids, sterols, esters, aromatic hydrocarbons and aldehydes.
  • Perfumes and Essential oils: GC:MS can separate, closely related molecules and distinguish between volatile alcohols and terpenes.
  • Hydrocarbons: GC:MS separates isomers with the same molecular weight, distinguishing between structural isomers and even cis/trans isomers.
  • Environmental: GC:MS is routinely used in identifying pesticide, organic pollutants and plastic contamination.
  •  Biofuels: GC:MS can analysis and quantify the components of biofuels to establish whether they are a good substitute for the petroleum industry.
Agilent 7820A instrument

Food Industry: Analysis of plant oils

  • Free Fatty Acid (FFA) and Sterol Analysis by GC:MS.
  • Fatty acids and long chain sterols must be derivatized before injecting into the GC:MS.
  • This procedure involves a TMS agent and heating. The TMS agent is chosen according to the availability of the oxygen atom to be derivatized. Hindered alcohol groups require a specialised agent and longer heating times.  
  • We use TMS reagents purchased from Regis Technologies
Picture of a sunflower
  • We can advise on pre-analysis clean up of samples to achieve the best results.
  • Quantification can be achieved by internal and external standards.
  • Kovats index can be calculated for chromatographic peaks. 
  • Mass Spectra synchronised with reliable databases and our own database.
  • Typical analysis of FFA and Sterols, on oils, nuts, seeds and other plant material.
Chemical structure of TMS
Chemical structure of TMS

Essential oils and perfumes

  • Analysis of essential oil components.
  • By mass spectral fingerprint, Kovats Index and comparisons with reliable databases.
  • These oils contain dozens if not hundreds of distinct compounds, some of which are incredibly similar. 
  • These molecules have the same molecular weight MW: 204.35 g/mol, but are different compounds.
  • GC:MS will separate them.
  • Calculation of the Kovaks Index and the individual mass spectra aids in their identification.
Zingiberene, Alpha cedrene and beta caryophyllene chemical structures

Characterization of Essential Oils

  • Chromatography peaks tell you when and how much compound you have.
  • The Mass Spectrum shows you the compounds fragmentation pattern, which acts as a molecular finger print.
  • The Kovats Index, provides a dimensionless  unit for comparison with other databases. 

Table Showing GC:MS Analysis Of 2 Oils: Citronella oil and lemon oil:

Citronella Oil

Lemon Oil

 

GC: Retention time

Compound Name

GC: Retention time

Compound Name

6.509

Limonene

5.099

alpha Thujene

7.427

Linalool

5.197

alpha Pinene

8.037

neoiso-Isopulegol

5.411

Camphene

8.098

Citronellal

5.769

Sabinene

8.177

Isopulegol

5.816

beta Pinene

8.981

Citronellol

5.994

Myrcene

9.291

Geraniol

6.470

o-Cymene

9.495

Geranial

6.517

Limonene

10.382

Citronellyl Acetate

6.929

gamma Terpinene

10.474

Eugenol

7.304

alpha Terpinolene

10.705

Geranyl Acetate

7.430

Linalool

10.876

beta Elemene 

7.489

Nonanal

11.755

Napthalene

7.882

cis-Limonene oxide

11.83

beta Cubebene

7.937

trans-Limonene oxide

11.989

alpha Muurolene

8.027

Epoxyterpinolene

12.215

delta Cadinene

8.101

Citronellal

12.466

Hedycaryol

8.433

Terpinen-4-ol

12.749

endo-1-bourbonanol

8.587

alpha Terpineol

13.274

Guaiol

9.163

Citral

13.476

T-Muurolol

10.506

Neryl Acetate

Kovats Index (KI)

  • A dimensionless quantity that characterizes each GC:MS eluted compound, according to a linear retention index and eradicates instrument variations e.g. oven temperature, gas flow etc. but not column differences.
  • The retention times of a known C7-C40 alkane standard is used to calibrate KI.
  • We have a software program that then generates the KI from the retention times of the standard alkane above and below the analyte of interest .

Database Comparisons

Hydrocarbons

  • We have various GC:MS methods for analysing hydrocarbons of different volatilities.
  • Equivalent Carbon Length (ECL) can be generated, to establish the number of carbons in each chromatographic peak. Mass Spectra and databases can then be used to identify each chemical species.

Applications:

  • Biofuels, insect pheromones, pesticides and herbicides.
Picture displaying many sources of hydrocarbons: car, pesticides, herbicides

Equivalent Carbon Length

  • A dimensionless quantity that characterizes each GC:MS eluted compound, according to a linear retention index and eradicates instrument variations e.g. oven temperature, gas flow etc…….but not column differences.
  • The retention times of a known C7-C40 alkane standard is used to calibrate ECL.
  • We have a software program that then generates the ECL numbers from the retention times of the standard alkane above and below the chromatographic peak of interest

GC:MS Detection Limit

  • Generally, the HP GC:MS can detect chemical species down to the 10ng per µL, quantities.
  • If your analyte is below this concentration we can get access to an, Agilent 5975 series MSD
  • Agilent 7820A GC System.
  • With a detection limit of the order, 1ng per µL, depending on the chemical species.

Special Projects

  • Garbage in Garbage OUT!
  • We can advise on the best pre GC:MS clean up procedures.
  • We have a number of solid phase extraction procedures (SPE) we use to chemically separate sample components. As well as liquid extractions.
  • Physical extraction can also be achieved by centrifuge techniques.
  • For larger projects we can train and assist you, to use the GC:MS instrument and achieve the best results.

Awards and Further Education

  • Sharon Curtis was very proud to accept the UOttawa President's award for Service Excellence in 2017.
  • Sharon Curtis accepted the Platform Scientist Award 2021, for cutting edge research.
  • Sharon Curtis completed a mini course in Anatomy and Physiology with Aromahead Institute 2021.
  • Sharon Curtis became an Essential Oil Specialist in 2022, with Aromahead Institute.
  • Sharon Curtis qualified as a Certified Aromatherapist in 2022 with Aromahead Institute.

Contact Us

Chemical facility

Sharon Curtis
[email protected]
D'Iorio Hall - Room 124
Ottawa, ON K1N 6N5
Tel: 613-562-5800 ext. 604