Hello, I was looking at a post on the forum regarding "Flavors Retention Time Locked Database" from a few years ago. The referenced support document "Analysis of Essential Oil Compounds Using Retention Time Locked Methods and Retention Time Databases" (May 1, 2002 5988-6530EN) explains that a combined RT and MS library screener database is available.
The document is obviously older and possibly outdated at this point, however I was hoping to use the information contained in the provided library, and screener database as verification as I build a personal database that includes retention time and retention indices. I already have my own calibration file for the retention times for use with Masshunter. I wanted to reference the data in this Flavor2.L library regarding the order of elution of different compounds to assist me with identification of closely eluting compounds and/or false identifications.
The problem is that when I open the Flavor2.L file in library editor, the retention time and retention index values are inaccurate. For example:
| Name | CAS | Retention Index | Retention Time | User Index |
|---|---|---|---|---|
| Propyl Propionate | 106-36-5 | -1786237695.0000 | 2.1864 | 175.26 |
| Propyl Isovalerate | 557-00-6 | -856127743.0000 | 2.1862 | 329.4 |
Although I find very similar mass spectra associated, the RI data on purchased databases (NIST11, Flavors and Fragrances of Natural and Synthetic Compounds 3, Wiley 10N14 suggest I should expect
| Name | CAS | RI Flavor&Fragrance | RI Wiley |
|---|---|---|---|
| Propyl Propionate | 106-36-5 | 807 | 785 |
| Propyl Isovalerate | 557-00-6 | 946 | 920 |
The questions I am posing are that since the library file proves to be unusable, how do I view the data contained within the screener database (.scd) so I can determine if it is at all usable? Are .scd files compatible with Masshunter 10.0.x Qual or Quant?
Also, how do I open/view the Flavor2.tab file?
The files included with the library exe file are:
Flavor2.L
Flavfid.rtt
Flavor App Note.pdf (5988-6530EN)
Flavor2.scd
Flavor2.tab
Thanks in advance for any assistance!
