User guide
The Leibniz-LSB@TUM Odorant Database comprises two parts:
The first part consists of a basic table listing prevalent food odorants together with important substance parameters, in particular those being helpful for a preliminary structure assignment after a GC-O analysis. To access the table contents, a search criterion must be entered into one of the search fields displayed on the top of the table.
The second part consists of a compilation of substance details tables. For each individual odorant listed in the basic table, a substance details table provides the references from which the data in the basic table has been extracted plus a wider range of substance-specific data, among others including odor threshold values. To access the substance details table of a specific odorant simply click on the link in the right column (“Details”) of the basic table.
Odorants table columns and search options
- Odorant: name of the substance
Search entry: full substance name or part of it
Search result: maximum 20 hits with best fit - CAS RN: Chemical Abstract Service Registry Number of the substance
Search entry: full CAS number or part of it
Search result: maximum 20 hits with best fit - Odor quality: description of the odor of the substance
Search entry: full description or part of it
Search result: maximum 20 hits with best fit - RI-5, RI-1701, RI-FFAP: linear retention indices (mean values of literature data) of the substance as determined according to J. Chromatogr. A 1963, 11, 463 using GC stationary phases equivalent to DB-5 ((5%-phenyl)methylpolysiloxane), DB-1701 ((14%-cyanopropyl-phenyl)methylpolysiloxane), and DB-FFAP (nitroterephthalic acid modified polyethylene glycol)
Examples of DB-5 equivalents: BP-5, CP-Sil 8, MDN-5, OV-5, PTE-5, Rtx-5, SE-52, SE-54, SPB-5, XTI-5, ZB-5
Examples of DB-1701 equivalents: BP-10, CP-Sil 19 CB, OV-1701, Rtx-1701, SPB-1701, ZB-1701
Examples of DB-FFAP equivalents: BP-21, CP-Wax FFAP CB, CP-FFAP CB, OV-351, SPB-1000, ZB-FFAP
Search entry: retention index
Search result: substances with retention indices within an interval of ±10 of entry - MW: molecular weight in g/mol
Search entry: molecular weight in g/mol
Search result: substances with molecular weight equal to entry - Structure: structure of the substance
Sorry, no search option - Details: Link to the substance details table
Substance details table columns and search options
- Reference: publication from which the following data were taken from
Search entry: author name, title etc.; e.g. “Smith”
Search result: maximum 20 hits with best fit
- Year: year of publication
Search entry: year in the format yyyy, e.g. “1981”
Search result: references published in the year entered
- Food: food in which the substance was reported as constituent
Search entry: name of food, e.g. “bread”
Search result: maximum 20 hits with best fit
- Odor quality: description of the odor of the substance
Search entry: full description or part of it, e.g. “fruity”
Search result: maximum 20 hits with best fit
- Odor threshold: odor threshold of the substance determined according to Eur. Food Res. Technol. 2008, 228, 265
Search entry: “OT”
Search result: references containing odor threshold values
- RI-1, RI-5, RI-1701, RI-FFAP, RI-Wax: linear retention indices of the substance reported in the reference and determined according to J. Chromatogr. A 1963, 11, 463 using GC stationary phases equivalent to DB-1 (100% dimethylpolysiloxane), DB-5 ((5%-phenyl)methylpolysiloxane), DB-1701 ((14%-cyanopropyl-phenyl)methylpolysiloxane), DB-FFAP (nitroterephthalic acid modified polyethylene glycol), and DB-Wax (100 % polyethylene glycol)
Examples of DB-1 equivalents: BP-1, CP-Sil 5 CB, MDN-1, OV-1, OV-101, Rtx-1, SE-30, SP-2100, SPB-1, ZB-1
Examples of DB-5 equivalents: BP-5, CP-Sil 8, MDN-5, OV-5, PTE-5, Rtx-5, SE-52, SE-54, SPB-5, XTI-5, ZB-5
Examples of DB-1701 equivalents: BP-10, CP-Sil 19 CB, OV-1701, Rtx-1701, SPB-1701, ZB-1701
Examples of DB-FFAP equivalents: BP-21, CP-Wax FFAP CB, CP-FFAP CB, OV-351, SPB-1000, ZB-FFAP
Examples of DB-Wax equivalents: BP-20, Carbowax, CB-WAX, CP-Wax 52 CB, Rtx-WAX, Stabilwax, SUPELCOWAX 10, ZB-WAX, ZB-WAX plus
Search entry: retention index
Search result: references reporting the specified retention index
- Syntheses: “✓”, “✓ (dn)”, “✓ (mXn)”
“✓” indicates that the reference includes a synthesis of the isotopically unmodified substance
“✓ (dn)” indicates that the reference includes a synthesis of the n-fold deuterated isotopologue
“✓ (mXn)” indicates that the reference includes a synthesis of an isotopologue containing n mX atoms
Sorry, no search option