The Ed4 Demo library contains the following 19 compounds from lemon oil: a-thujene, a-pinene, sabinene, b-pinene, myrcene, a-terpinene, p-cymene, limonene, g-terpinene, terpinolene, nonanal, a-terpineol, neral, geranial, neryl acetate, geranyl acetate, (E)-caryophyllene, trans-a-bergamotene and b-bisabolene. The lemon oil was run on DB5 (=SE54), 60-240 @ 3 /min. (see Adams 2001 book for detailed operating conditions). Accompanying the demo disk is the GC of the lemon oil with the 19 peaks marked. Note that one can then use a correction factor to correct the next peak(s) retention more closely to the library. For example, if -thujene had run at 5.60 min. (vs. 5.62 in the library), then one should add 0.02 min to the retention time for -pinene, etc. As one moves through the GC and makes these corrections, each succeeding identified peak's retention time can be used to obtain retention times in very close agreement with the library.
There are libraries in 18(19) formats:
1. Palisade Bench Top/PBM (PBMDEMO.SPC)
2. Finnigan GCQ (GCQMAGDE.LBR)
3. Finnigan ICIS (ITDDEMO.LBR)
4. Finnigan INCOS (FINCOSDE.LS & FINCOSDE.LX)
5. Finnigan Ion Trap, ITDMS (ITDDEMO.LIB & ITDDEMO.INX )
6. Finnigan ITS-40 (GCQMAGDE.LBR)
7. Finnigan Magnum (GCQMAGDE.LBR)
8. Finnigan Triple Quad (FINCOSDE.LS, FINCOSDE.LX)
9. Fisons/VG JCAMP (FISVGJCD.JDX)
10. Fisons/VG Mass Lab, Lab Base (FISMLDEM.IDB, .IDI, .PDB, & .PDI)
11. HP CHEMSTATION [Dir \HPCHEMDE.L, plus these six (6) files:
ROOT; HEADER; HEADER.IND; CONDENSE; CONDENSE.IND; FULL.D ]
12. HP JCAMP, Unix (HPJCAMDE.HPJ)
13. Mass Finder 3 (MF3Demo.mfl)
14. net CDF (NETCDFDE.CDF)
15. PE Turbomass (PETURBDE.IDB, .IDI, .PDB, & PDI)
16. Shimadzu QP5000 (6 files: SHIMDEMO.NAM, SHIMDEMO.FOM, SHIMDEMO.LIB., SHIMDEMO.SPC, SHIMDEMO.COM,
17. Teknivent Vector (PBMDEMO.SPC)
18. Varian Saturn (VARSDEMO.LBR)
19. Waters Millennium uses .SPC format (PBMDEMO.SPC)
(20.) NIST format - can be produced from 12. HP JCAMP library by on-line program free at NIST website.
Please note that unequivocal identification of terpenes is often not possible unless retention data is included. Always be sure the retention times match the library values closely.
The current version of the library has mass spectra and retention times on DB5 for 2205 compounds.
You can order the book (Identification of essential oil components by gas chromatography/ mass spectrometry, 4th Edition, Robert P. Adams, 2006)
However to order the complete, 2205 cpd, library CD, contact me (Robert P. Adams) at firstname.lastname@example.org