β-Calacorene

Formula: C₁₅H₂₀
Molecular weight: 200.3193
IUPAC Standard InChI: InChI=1S/C15H20/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h5,7,9,12H,6,8H2,1-4H3
IUPAC Standard InChIKey: HDBSITBZJGRUAD-UHFFFAOYSA-N
Chemical structure:
This structure is also available as a 2d Mol file
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Normal alkane RI, non-polar column, custom temperature program

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

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	5 % Phenyl polydimethyl siloxane	HP-5 MS	HP-5 MS	HP-5	HP-5
Column length (m)				25.	25.
Carrier gas				Helium	Helium
Substrate
Column diameter (mm)				0.32	0.32
Phase thickness (μm)				0.17	0.17
Program	not specified	not specified	not specified	60 0C (5 min) 4 0C/min -> 220 0C 11 0C/min -> 280 0C (15 min)	60 0C (5 min) 4 0C/min -> 220 0C 11 0C/min -> 280 0C (15 min)
I	1564.	1563.	1564.	1559.	1561.
Reference	Chaverri, Diaz, et al., 2011	Payo, Colo, et al., 2011	Payo, Colo, et al., 2011	Custer, 2009	Custer, 2009
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	HP-5	HP-5	HP-5	HP-5	DB-5
Column length (m)	25.	25.	25.	25.	50.
Carrier gas	Helium	Helium	Helium	Helium	Helium
Substrate
Column diameter (mm)	0.32	0.32	0.32	0.32	0.32
Phase thickness (μm)	0.17	0.17	0.17	0.17	0.25
Program	60 0C (5 min) 4 0C/min -> 220 0C 11 0C/min -> 280 0C (15 min)	not specified	not specified	not specified	60 0C (1 min) 5 0C/min -> 160 0C 10 0C/min -> 250 0C
I	1564.	1564.	1565.	1565.	1566.
Reference	Custer, 2009	Custer, 2009	Custer, 2009	Custer, 2009	Nivinsliene, Butkiene, et al., 2007
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

References

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Chaverri, Diaz, et al., 2011
Chaverri, C.; Diaz, C.; Cicco, J.F., Chemical analysis of essential oils from Ocotea gomezii W.C. Burger and Ocotea morae Gomez-Laur. (Lauraceae) collected at Reserva biologica Alberto M. Brenes in Costa Rica and their cytotoxic activity on Tumor cell lines, J. Braz. Chem. Soc., 2011, 22, 4, s1-s4, https://doi.org/10.1590/S0103-50532011000400018 . [all data]

Payo, Colo, et al., 2011
Payo, D.A.; Colo, J.; Calumpong, H.; de Clerck, O., Variability of non-polar secondary metabolites in the Red Alga Portieria, Mar Drugs, 2011, 9, 11, 2438-2468, https://doi.org/10.3390/md9112438 . [all data]

Custer, 2009
Custer, Y., GC Volatile Components Analysis of Different Parts of Litchi chinensis (Dissertation), 2009. [all data]

Nivinsliene, Butkiene, et al., 2007
Nivinsliene, O.; Butkiene, R.; Gudalevic, A.; Mockute, D.; Meskauskiene, V.; Grigaliunaite, B., Influence of urban environment on chemical composition of Tilia cordata essential oil, Chemija, 2007, 18, 1, 44-49. [all data]

Notes

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Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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