are important compounds in food analysis, since they are sample specific. They can be used as markers or their profile can be used as a fingerprint (e.g
. bacteria fatty acids) or to reveal fraud (e.g
. seed oil added to olive oil). In GC, fatty acids are analyzed after derivatization to methyl esters (FAMEs). FAMEs
is a library of 240 spectra and structures of fatty acid methyl esters
, including their Linear Retention Index and calculated Kovats Retention Index.
The database contains linear retention index data, registered using an alkane mixture on an apolar column and using also a FAMEs and a FAEEs (fatty acid ethyl esters) mixture on a polar column. The addition of the retention index data enables more reliable compound matching and identification of unknowns.
While other methods such as LC-MSMS can be used, when using such a highly selective method, technicians can only detect what they are looking for, while when performing broader TIC screening using GC/MS, no information is lost. Applications include building FAMEs profiles of target bacteria (e.g. pseudomonas aeruginosa).
Each record contains the mass spectrum, searchable structure, chemical information, and LRI retention data.
Records indexed by name, molecular weight, and retention time
Highly controlled: Measured on a single instrument in controlled conditions
Quality samples sourced from leading suppliers and manufacturers
Available in six manufacturer formats for use with most common mass spectrometry applications:
- ACD/Labs MS Manager
- Agilent ChemStation
- NIST MS Search
- PerkinElmer TurboMass
- ThermoFisher Spectral ID
- Waters MassLynx
A version in the Shimadzu GCMSsolution format is available directly from Shimadzu.
Data was acquired on a GCMS QP2010 Plus (Shimadzu), Autosampler AOC-20i (Shimadzu), split/splitless injector inlet, Supelcowax 30 m x 0.25 mm x 0.25 µm (Supelco), Helium in constant linear velocity mode (35cm/s) carrier gas, with an oven temperature of 50oC to 280oC (or 350oC) at 3oC/min. Ion source temperature 220oC, interface temperature 250oC, scan range 50-550 u, EI 70 eV.
Compound coverage can be searched at www.compoundsearch.com.