Eicosanal-

Formula: C₂₀H₄₀O
Molecular weight: 296.5310
IUPAC Standard InChI: InChI=1S/C20H40O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21/h20H,2-19H2,1H3
IUPAC Standard InChIKey: FWBUWJHWAKTPHI-UHFFFAOYSA-N
CAS Registry Number: 2400-66-0
Chemical structure:
This structure is also available as a 2d Mol file
Other names: Icosanal; 1-Eicosanal
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Gas Chromatography

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Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director

Kovats' RI, non-polar column, temperature ramp

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Column type	Active phase	I	Reference	Comment
Capillary	BP-1	2221.	Raina, Verma, et al., 2006	25. m/0.32 mm/0.25 μm, N2, 5. K/min, 220. C @ 13. min; T_start: 60. C

Van Den Dool and Kratz RI, non-polar column, temperature ramp

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Column type	Active phase	I	Reference	Comment
Capillary	HP-5	2224.	Lazari, Skaltsa, et al., 2000	30. m/0.25 mm/0.25 μm, He, 50. C @ 5. min, 4. K/min; T_end: 280. C

Van Den Dool and Kratz RI, non-polar column, custom temperature program

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Column type	Active phase	I	Reference	Comment
Capillary	HP-5MS	2225.3	Andriamaharavo, 2014	30. m/0.25 mm/0.25 μm, He; Program: 60C (1 min) => 5 C/min => 210C => 10 C/min => 280C (15 min)

Normal alkane RI, non-polar column, temperature ramp

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Column type	Active phase	I	Reference	Comment
Capillary	HP-5 MS	2219.	Radulovic, Blagojevic, et al., 2010	30. m/0.25 mm/0.25 μm, Helium, 5. K/min, 290. C @ 10. min; T_start: 70. C
Capillary	HP-5	2211.	Naka, van Vang, et al., 2003	He, 100. C @ 2. min, 8. K/min, 240. C @ 15. min; Column length: 30. m; Column diameter: 0.25 mm
Capillary	HP-5MS	2229.	Tkachev, Dobrotvorsky, et al., 2000	30. m/0.25 mm/0.25 μm, He, 40. C @ 1. min, 10. K/min, 280. C @ 20. min
Capillary	Ultra-1	2203.	Okumura, 1991	25. m/0.32 mm/0.25 μm, He, 3. K/min; T_start: 80. C; T_end: 260. C
Capillary	SE-54	2229.	Bestmann, Classen, et al., 1988	N2, 60. C @ 2. min, 6. K/min; Column length: 25. m; Column diameter: 0.25 mm; T_end: 260. C

Normal alkane RI, non-polar column, custom temperature program

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Column type	Active phase	I	Reference	Comment
Capillary	HP-5MS	2220.	Moronkola, Ogunwande, et al., 2007	30. m/0.25 mm/0.25 μm, He; Program: 40C(10min) => 3C/min => 200C => 2C/min => 220C

Normal alkane RI, polar column, temperature ramp

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Column type	Active phase	I	Reference	Comment
Capillary	Innowax	2571.	Kaya, Baser, et al., 1999	60. m/0.25 mm/0.25 μm, He, 60. C @ 10. min; T_end: 220. C

References

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Raina, Verma, et al., 2006
Raina, V.K.; Verma, S.C.; Dhawan, S.; Khan, M.; Ramesh, S.; Singh, S.C.; Yadav, A.; Srivastava, S.K., Essential oil composition of Murraya exotica from the plains of northern India, Flavour Fragr. J., 2006, 21, 1, 140-142, https://doi.org/10.1002/ffj.1547 . [all data]

Lazari, Skaltsa, et al., 2000
Lazari, D.M.; Skaltsa, H.D.; Constantinidis, T., Volatile constituents of Centaurea pelia DC., C. thessala Hausskn. subsp. drakiensis (Freyn Sint.) Georg. and C. zuccariniana DC. from Greece, Flavour Fragr. J., 2000, 15, 1, 7-11, https://doi.org/10.1002/(SICI)1099-1026(200001/02)15:1<7::AID-FFJ860>3.0.CO;2-3 . [all data]

Andriamaharavo, 2014
Andriamaharavo, N.R., Retention Data. NIST Mass Spectrometry Data Center., NIST Mass Spectrometry Data Center, 2014. [all data]

Radulovic, Blagojevic, et al., 2010
Radulovic, N.; Blagojevic, P.; Palic, R., Comparative study of the leaf volatiles of Arctostaphylos uva-ursi (L.) Spreng. and Vaccinium vitis-idaea L. (Ericaceae), Molecules, 2010, 15, 9, 6168-6185, https://doi.org/10.3390/molecules15096168 . [all data]

Naka, van Vang, et al., 2003
Naka, H.; van Vang, L.; Inomata, S.-I.; Ando, T.; Kimura, T.; Honda, H.; Tsuchida, K.; Sakurai, H., Sex pheromone of the persimmon fruit moth, Stathmopoda masinissa: identification and laboratory bioassay of (4E, 6Z)-4,6-hexadecadien-1-ol derivatives, J. Chem. Ecol., 2003, 29, 11, 2447-2459, https://doi.org/10.1023/A:1026301800140 . [all data]

Tkachev, Dobrotvorsky, et al., 2000
Tkachev, A.V.; Dobrotvorsky, A.K.; Vjalkov, A.I.; Morozov, S.V., Chemical composition of lipophylic compounds from the body surface of unfed adult Ixodes persulcatus ticks (Acari: Ixodidae), Experimental and Applied Acarology, 2000, 24, 2, 145-158, https://doi.org/10.1023/A:1006430323587 . [all data]

Okumura, 1991
Okumura, T., retention indices of environmental chemicals on methyl silicone capillary column, Journal of Environmental Chemistry (Japan), 1991, 1, 2, 333-358, https://doi.org/10.5985/jec.1.333 . [all data]

Bestmann, Classen, et al., 1988
Bestmann, H.-J.; Classen, B.; Kobold, U.; Vostrowsky, O.; Klingauf, F.; Stein, U., Steam volatile constituents from leaves of Rhus typhina, Phytochemistry, 1988, 27, 1, 85-90, https://doi.org/10.1016/0031-9422(88)80595-8 . [all data]

Moronkola, Ogunwande, et al., 2007
Moronkola, D.O.; Ogunwande, I.A.; Walker, T.M.; Setzer, W.N.; Oyewole, I.O., Identification of the main volatile compounds in the leaf and flower of Tithonia diversifolia (Hemsl) Gray, J. Nat. Med., 2007, 61, 1, 63-66, https://doi.org/10.1007/s11418-006-0019-5 . [all data]

Kaya, Baser, et al., 1999
Kaya, A.; Baser, K.H.C.; Demirci, B.; Koca, F., The essential oil of Acinos alpinus (L.) Moench growing in Turkey, Flavour Fragr. J., 1999, 14, 1, 55-59, https://doi.org/10.1002/(SICI)1099-1026(199901/02)14:1<55::AID-FFJ784>3.0.CO;2-Q . [all data]

Notes

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Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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