Aroma Office 2D

MS- and Two-Dimensional Linear Retention Index Database for identification of flavor compounds

The retention time of a compound on a given column phase can be expressed on a scale based on n-alkane retention times. This produces unique retention index values for compounds and serves to standardize gas chromatographic retention data. Both linear retention indices and programmed-temperature retention indices are widely used in the flavor and fragrance field and many published data bases are available. Usually mass spectral information in addition to retention time data is available from a GC run, but either information dimension alone is often insufficient for positive identification – even though modern affordable bench top instrumentation offers highly reproducible retention behavior and information rich mass spectral patterns. Aroma Office 2D, exclusively available from GERSTEL, offers an integrated software approach to automatically process retention index and mass spectral data for improved identification of flavor compounds based on the most comprehensive data base of flavor compounds commercially available. This is a searchable data base with retention index information on >10,000 compounds from greater than 100,000 entries from a wide range of literature references. The program can be integrated into the Agilent ChemStation software and searches are performed using RI values and the CAS No. of a candidate compound. After library searching, a manual cross search for a single or limited number of compounds can be performed or an automated cross search can be performed for multiple compounds. Both use a single RI and a mass spectrum for each compound. When the chromatographic analysis is upgraded to two dimensional with heart cutting the software also offers a cross search using two different retention index values obtained from the orthogonal stationary phases used in the first and second dimension analyses. When GC-O organoleptic evaluation is available from both first and heart cut dimensions these signals can provide complementary RI values. This is often sufficient to propose an identification even if the MS signal is weak or absent. Aroma Office 2D is designed to offer significant additional identification strategies to the practicing flavor analyst.

AppNote: Aroma Office 2D in use: Complex Hop Essential Oil

AppNote 183
AromaOffice: Application of a Novel Linear Retention Indices Database to a Complex Hop Essential Oil

Aroma Office 2D (Gerstel K.K.) is an integrated software approach for simultaneous processing of both retention index (RI) and mass spectral (MS) data for rapid and improved identification of flavor compounds. The program can be integrated into Agilent Chemstation Software and searches are performed using CAS numbers of candidate compounds after library searching and corresponding automatically generated RI values. When MS signals are too weak to be used the software allows two RI values from orthogonal columns (after GC-O organoleptic evaluation) to be cross searched in the database. This offers a very useful additional identification procedure for flavor compounds. The searchable database comprises > 10,000 compounds and offers the practicing analyst full results oriented software manipulation of RI and MS data on flavor compounds.

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