α-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/h5-7,9-10,13H,8H2,1-4H3
IUPAC Standard InChIKey: CUUMXRBKJIDIAY-UHFFFAOYSA-N
CAS Registry Number: 21391-99-1
Chemical structure:
This structure is also available as a 2d Mol file
Other names: 1-Isopropyl-4,7-dimethyl-1,2-dihydronaphthalene, (S)-; α-Calacorene, (+)-; Cadina-1,3,5,9-tetraene; α-Calacorene I; (E)-Calacorene; α-Calacorene (isomer II)
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Other data available:
- Gas Chromatography
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Normal alkane RI, non-polar column, temperature ramp

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

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	HP-5 MS	DB-5	HP-5	DB-5	HP-5
Column length (m)	30.	30.	30.	30.	30.
Carrier gas	Helium	Helium	Nitrogen	Helium	Helium
Substrate
Column diameter (mm)	0.25	0.25	0.25	0.25	0.25
Phase thickness (μm)	0.25	0.25	0.25	0.25	0.25
T_start (C)	60.	60.	50.	50.	50.
T_end (C)	220.	240.	280.	250.	240.
Heat rate (K/min)	4.	3.	5.	2.	3.
Initial hold (min)	20.		1.		5.
Final hold (min)	20.		1.
I	1542.	1542.	1542.	1546.	1545.
Reference	Feizbakhsh and Naeemy, 2011	Karimi, Farmani, et al., 2011	Tekaya-Karoui, Boughalleb, et al., 2011	Ho, Wang, et al., 2010	Monsef-Esfahani, Miri, et al., 2010
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	HP-5 MS	HP-5	HP-5 MS	DB-5 MS	DB-5
Column length (m)	30.	30.	30.	30.	30.
Carrier gas	Helium	Hydrogen	Helium	Helium	Helium
Substrate
Column diameter (mm)	0.25	0.25	0.25	0.25	0.25
Phase thickness (μm)	0.25	0.25	0.25	0.25	0.25
T_start (C)	70.	70.	70.	60.	40.
T_end (C)	290.	290.	290.	240.	240.
Heat rate (K/min)	5.	5.	5.	3.	3.
Initial hold (min)					1.
Final hold (min)	10.		10.
I	1550.	1552.	1544.	1541.	1520.
Reference	Radulovic, Blagojevic, et al., 2010	Radulovic, Dordevic, et al., 2010	Radulovic, Dordevic, et al., 2010, 2	Silva, Pott, et al., 2010	de Souza, Lopes, et al., 2010
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	DB-5	DB-5	RTX-1	RTX-1	5 % Phenyl methyl siloxane
Column length (m)	30.	30.	60.	60.	60.
Carrier gas	Helium	Helium	Helium	Helium	Helium
Substrate
Column diameter (mm)	0.25	0.25	0.22	0.22	0.25
Phase thickness (μm)	0.25	0.25	0.25	0.25	0.25
T_start (C)	40.	50.	60.	60.	90.
T_end (C)	250.	250.	230.	230.	225.
Heat rate (K/min)	10.	5.	2.	2.	3.
Initial hold (min)	1.	2.
Final hold (min)	3.		30.	30.	3.
I	1546.	1546.	1527.	1531.	1545.
Reference	Yang, Zhang, et al., 2010	Ho, Wang, et al., 2009	Museli, Pau, et al., 2009	Museli, Pau, et al., 2009	Retta, Gattuso, et al., 2009
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	DB-5	DB-5	DB-5	HP-5 MS	SE-52
Column length (m)	30.	50.	30.	30.	50.
Carrier gas	Nitrogen	Nitrogen	Helium		Helium
Substrate
Column diameter (mm)	0.25	0.20	0.25	0.25	0.25
Phase thickness (μm)	0.25	0.32	0.25		0.25
T_start (C)	40.	60.	40.	60.	60.
T_end (C)	230.	220.	240.	280.	280.
Heat rate (K/min)	2.	5.	3.	3.	3.
Initial hold (min)		3.	1.
Final hold (min)		5.			20.
I	1546.	1542.	1520.	1542.	1552.
Reference	Scrivanti, Anton, et al., 2009	Shafaghat and Sadeghi, 2009	de Souza, Lopes, et al., 2009	Baziou, Couladis, et al., 2008	Djarri, Medjroubi, et al., 2008
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	VF-5MS	HP-5	ZB-1	DB-5 MS	RTX-1
Column length (m)	30.	30.	30.	30.	60.
Carrier gas	Helium	Helium	Nitrogen	Helium	He
Substrate
Column diameter (mm)	0.25	0.32	0.25	0.25	0.22
Phase thickness (μm)	0.25	0.25	0.25	0.25	0.25
T_start (C)	240.	100.	45.	50.	60.
T_end (C)	320.	240.	230.	300.	230.
Heat rate (K/min)	20.	5.	3.	5.	2.
Initial hold (min)	1.	2.		5.
Final hold (min)		5.		5.	35.
I	1548.	1542.	1526.	1537.	1539.
Reference	Kowalski, 2008	Lago, Romoff, et al., 2008	Mierendorff, Stahl-Biskup, et al., 2008	Noudogbessi, Yedomonhan, et al., 2008	Paolini, Tomi, et al., 2008
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	SLB-5MS	HP-5 MS	HP-5	DB-5	HP-5
Column length (m)	10.	30.	30.	30.	30.
Carrier gas	Helium	Helium	Helium	He	N2
Substrate
Column diameter (mm)	0.18	0.25	0.25	0.26	0.25
Phase thickness (μm)	0.18	0.25	0.32	0.25	0.25
T_start (C)	40.	50.	60.	60.	50.
T_end (C)	295.	240.	250.	240.	240.
Heat rate (K/min)	10.	3.	5.	3.	5.
Initial hold (min)	1.5		30.		1.
Final hold (min)					4.
I	1541.	1584.	1545.	1540.	1542.
Reference	Risticevic, Carasek, et al., 2008	Sarikurkcu, Tepe, et al., 2008	Yassa and Akhani, 2008	Bos, Woerdenbag, et al., 2007	Cheraif, Ben Jannet, et al., 2007
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	DB-5	HP-5	HP-5MS	HP-1	DB-1
Column length (m)	30.	30.	30.	30.	50.
Carrier gas	Helium	Helium	He	He	He
Substrate
Column diameter (mm)	0.26	0.25	0.25	0.25	0.25
Phase thickness (μm)	0.25	0.26	0.25	0.25	0.25
T_start (C)	60.	60.	60.	60.	95.
T_end (C)	290.	240.	250.	240.	240.
Heat rate (K/min)	3.	4.	2.	2.	4.
Initial hold (min)		2.	8.
Final hold (min)		20.	15.	20.
I	1540.	1546.	1536.	1514.	1538.
Reference	Elfami, Bos, et al., 2007	Farsam, Amanlou, et al., 2007	Ferhat, Tigrine-Kordjani, et al., 2007	Hachicha, Skanji, et al., 2007	Pala-Paul, Brophy, et al., 2007
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	HP-5 MS	HP-5MS	HP-5	DB-5	DB-5
Column length (m)	30.	30.	30.	30.	30.
Carrier gas	Helium	He	He	He
Substrate
Column diameter (mm)	0.25	0.25	0.25	0.25	0.25
Phase thickness (μm)	0.25	0.25	0.32	0.25	0.25
T_start (C)	60.	40.	60.	60.	60.
T_end (C)	280.	250.	250.	300.	300.
Heat rate (K/min)	3.	3.	5.	3.	3.
Initial hold (min)		5.	30.
Final hold (min)		10.
I	1546.	1519.	1545.	1526.	1537.
Reference	Vagionas, Graikou, et al., 2007	Vichi, Riu-Aumatell, et al., 2007	Yassa and Akhani, 2007	Apel, Sobral, et al., 2006	Apel, Sobral, et al., 2006, 2
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	HP-5	DB-1	DB-5	HP-5	HP-1
Column length (m)	25.	60.	30.	30.	50.
Carrier gas	He	Nitrogen	Helium	He	He
Substrate
Column diameter (mm)	0.25	0.25	0.26	0.25	0.2
Phase thickness (μm)	0.25		0.25	0.25	0.33
T_start (C)	50.	40.	60.	50.	60.
T_end (C)	300.	200.	290.	300.	250.
Heat rate (K/min)	5.	2.	3.	5.	2.
Initial hold (min)	5.	1.		5.
Final hold (min)		9.		5.	40.
I	1527.	1523.	1540.	1541.	1524.
Reference	Champagnat, Figueredo, et al., 2006	Chen, Sheu, et al., 2006	Elfami, Komar, et al., 2006	Figuérédo, Cabassu, et al., 2006	Filippi, Lanfranchi, et al., 2006
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	DB-5	DB-5	DB-5	HP-5	BP-1
Column length (m)	30.	30.	30.	30.	50.
Carrier gas	He	He	Helium	Helium	He
Substrate
Column diameter (mm)	0.25	0.25	0.25	0.32	0.22
Phase thickness (μm)	0.25	0.25	0.25	0.25	0.25
T_start (C)	60.	60.	60.	60.	60.
T_end (C)	240.	240.	260.	260.	220.
Heat rate (K/min)	5.	5.	3.	5.	2.
Initial hold (min)	2.	2.		2.
Final hold (min)				13.	20.
I	1542.	1542.	1540.	1546.	1532.
Reference	Gohari, Hadjiakhoondi, et al., 2006	Gohari A.R., Hadjiakhoondi A., et al., 2006	Javidnia, Miri, et al., 2006	Kucuk, Gulec, et al., 2006	Lesueur, Ban, et al., 2006
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	DB-5	DB-1	SPB-5	DB-5	DB-5
Column length (m)	30.	50.	30.	30.	30.
Carrier gas	He	N2	Helium	Hydrogen	Hydrogen
Substrate
Column diameter (mm)	0.25	0.25	0.25	0.25	0.25
Phase thickness (μm)	0.25	0.25	0.25	0.25	0.25
T_start (C)	60.	95.	60.	70.	70.
T_end (C)	220.	240.	250.	280.	280.
Heat rate (K/min)	4.	4.	4.	4.	4.
Initial hold (min)	5.		2.	4.	4.
Final hold (min)			20.
I	1548.	1550.	1540.	1542.	1542.
Reference	Morteza-Semnani K., Saeedi M., et al., 2006	Pala-Paul J., Perez-Alonso M.J., et al., 2006	Pino, Marquez, et al., 2006	Pino, Marbot, et al., 2006	Pino, Marbot, et al., 2006
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	DB-5	HP-5MS	HP-5MS	DB-5	DB-5
Column length (m)	30.	30.	30.	30.	30.
Carrier gas	Hydrogen	He	He	He	He
Substrate
Column diameter (mm)	0.25	0.25	0.25	0.25	0.25
Phase thickness (μm)	0.25	0.25	0.25	0.25	0.25
T_start (C)	70.	60.	60.	60.	60.
T_end (C)	280.	280.	275.	240.	240.
Heat rate (K/min)	4.	3.	4.	3.	3.
Initial hold (min)	4.
Final hold (min)
I	1542.	1512.	1545.	1544.	1543.
Reference	Pino, Marbot, et al., 2006	Pitarokili, Tzakou, et al., 2006	Asadipour, Mehrabani, et al., 2005	Chaverri and Cicció, 2005	Chaverri and Cicció, 2005
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	DB-5	HP-1	HP-5	HP-5MS	DB-5
Column length (m)	30.	50.	30.	30.	30.
Carrier gas	He		He	He
Substrate
Column diameter (mm)	0.25	0.2	0.25	0.25	0.25
Phase thickness (μm)	0.25	0.25	0.25	0.25	0.25
T_start (C)	60.	60.	60.	60.	35.
T_end (C)	300.	250.	30.	200.	280.
Heat rate (K/min)	3.	2.	4.	4.	4.
Initial hold (min)	3.	60.	3.	30.	2.
Final hold (min)			15.
I	1536.	1531.	1546.	1533.	1548.
Reference	Ferraz, Limberger, et al., 2005	Fernandez, Lizzani-Cuvelier, et al., 2005	Ferretti, Maggi, et al., 2005	Gauvin and Smadja, 2005	Kowalski and Wolski, 2005
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	DB-5MS	DB-5	DB-5	DB-1	HP-5MS
Column length (m)	30.	30.	30.	50.	30.
Carrier gas	He	He	He	N2	He
Substrate
Column diameter (mm)	0.25	0.25	0.25	0.25	0.25
Phase thickness (μm)	0.25	0.25	0.25	0.25	0.25
T_start (C)	60.	60.	60.	95.	60.
T_end (C)	280.	220.	220.	240.	275.
Heat rate (K/min)	3.	4.	4.	4.	4.
Initial hold (min)	30.	5.	4.
Final hold (min)
I	1512.	1546.	1548.	1538.	1539.
Reference	Marongiu, Piras, et al., 2005	Morteza-Semnani, Akbarzadeh, et al., 2005	Morteza-Semnani and Saeedi, 2005	Pala-Paul, Perez-Alonso, et al., 2005	Sajjadi and Ghannadi, 2005
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	DB-5	HP-5MS	HP-5	DB-5	BP-1
Column length (m)	30.	30.	30.	30.	50.
Carrier gas	He		He	H2
Substrate
Column diameter (mm)	0.25	0.25	0.32	0.25	0.22
Phase thickness (μm)	0.25	0.25	0.25	0.25	0.25
T_start (C)	40.	40.	60.	50.	60.
T_end (C)	260.	220.	260.	290.	220.
Heat rate (K/min)	2.	3.	5.	4.	2.
Initial hold (min)	5.	5.	2.
Final hold (min)	20.	10.	13.		20.
I	1540.	1519.	1546.	1537.	1539.
Reference	Senatore, Apostolides Arnold, et al., 2005	Vichi, Riu-Aumatell, et al., 2005	Yayli, Yasar, et al., 2005	Abreu, Reis, et al., 2004	Blanc, Muselli, et al., 2004
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	DB-1	DB-5	RTX-1	DB-5	DB-5
Column length (m)	30.	30.	30.	30.	50.
Carrier gas	N2	He	N2	Helium	Helium
Substrate
Column diameter (mm)	0.25	0.25	0.32	0.25	0.25
Phase thickness (μm)	0.25	0.25	0.25
T_start (C)	50.	60.	60.	60.	60.
T_end (C)	200.	300.	300.	240.	240.
Heat rate (K/min)	5.	3.	4.	2.	2.
Initial hold (min)
Final hold (min)				999.	999.
I	1529.	1533.	1525.	1534.	1534.
Reference	Fekam Boyom, Fotio, et al., 2004	Limberger, Sobral, et al., 2004	Lis, Boczek, et al., 2004	Miyazawa, Fuhita, et al., 2004	Miyazawa, Fujita, et al., 2004
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	DB-5	HP-5	DB-5	HP-5MS	HP-5
Column length (m)	30.	25.	30.	30.	30.
Carrier gas	He	H2	He	He	He
Substrate
Column diameter (mm)	0.25	0.32	0.249	0.25	0.25
Phase thickness (μm)	0.25	0.52	0.25	0.25	0.25
T_start (C)	35.	40.	60.	60.	60.
T_end (C)	220.	240.	300.	280.	280.
Heat rate (K/min)	3.	4.	3.	4.	4.
Initial hold (min)
Final hold (min)
I	1543.	1542.	1541.	1542.	1529.
Reference	Palá-Paúl, Brophy, et al., 2004	Simic, Sokovic, et al., 2004	Woerdenbag, Windono, et al., 2004	Ghasemi, Asghari, et al., 2003	Ghassemi, Sajjadi, et al., 2003
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	DB-5	DB-5MS	DB-5	DB-5	ZB-1
Column length (m)	30.	30.	30.	30.	30.
Carrier gas	He	He	He	He	N2
Substrate
Column diameter (mm)	0.25	0.25	0.25	0.25	0.25
Phase thickness (μm)	0.25	0.25	0.25	0.25	0.25
T_start (C)	60.	60.	60.	60.	45.
T_end (C)	250.	240.	280.	280.	230.
Heat rate (K/min)	3.	3.	3.	3.	3.
Initial hold (min)
Final hold (min)			30.	30.
I	1536.	1543.	1531.	1530.	1526.
Reference	Limberger, Simões-Pires, et al., 2003	Maia, Taveira, et al., 2003	Marongiu, Porcedda, et al., 2003	Marongiu, Porcedda, et al., 2003	Mierendorff, Stahl-Biskup, et al., 2003
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	DB-5	DB-5	HP-5	HP-5	HP-5
Column length (m)	30.	30.	30.	60.	25.
Carrier gas	H2	H2	He		H2
Substrate
Column diameter (mm)	0.25	0.25	0.25	0.25	0.32
Phase thickness (μm)	0.25	0.25	0.25	0.25	0.53
T_start (C)	60.	60.	60.	40.	40.
T_end (C)	280.	280.	280.	250.	280.
Heat rate (K/min)	4.	4.	3.	5.	4.
Initial hold (min)	10.	10.		15.
Final hold (min)	40.	40.
I	1542.	1542.	1521.	1540.	1537.
Reference	Pino, Marbot, et al., 2003	Pino, Marbot, et al., 2003	Pitarokili, Tzakou, et al., 2003	Stashenko, Jaramillo, et al., 2003	Velickovic, Randjelovic, et al., 2003
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	HP-5
Column length (m)	25.	25.	25.	25.	25.
Carrier gas	H2	Helium	Helium	Helium	Helium
Substrate
Column diameter (mm)	0.32	0.32	0.32	0.32	0.32
Phase thickness (μm)	0.53	0.53	0.53	0.53	0.53
T_start (C)	40.	40.	40.	40.	40.
T_end (C)	280.	280.	280.	280.	280.
Heat rate (K/min)	4.	4.	4.	4.	4.
Initial hold (min)
Final hold (min)
I	1546.	1539.	1539.	1540.	1546.
Reference	Velickovic, Randjelovic, et al., 2003	Velickovic, Ristic, et al., 2003	Velickovic, Ristic, et al., 2003	Velickovic, Ristic, et al., 2003	Velickovic, Ristic, et al., 2003
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	DB-5	OV-101	DB-5	5 % Phenyl methyl siloxane	DB-5MS
Column length (m)	30.	25.	30.	30.	30.
Carrier gas	He		He	He	He
Substrate
Column diameter (mm)	0.25	0.32	0.25	0.25	0.25
Phase thickness (μm)	0.25		0.25	0.25	0.25
T_start (C)	60.	50.	60.	75.	60.
T_end (C)	240.	200.	280.	200.	280.
Heat rate (K/min)	3.	5.	3.	3.	3.
Initial hold (min)				4.
Final hold (min)			30.	8.
I	1545.	1532.	1531.	1546.	1540.
Reference	Zoghbi, Andrade, et al., 2003	Boyom, Keumedjio, et al., 2002	Caredda, Marongiu, et al., 2002	Cicció and Gómez-Laurito, 2002	Congiu, Falconieri, et al., 2002
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	DB-5MS	PTE-5	DB-5	DB-5	DB-5
Column length (m)	30.	60.	30.	30.	30.
Carrier gas	He	H2		He	He
Substrate
Column diameter (mm)	0.25	0.32	0.25	0.25	0.25
Phase thickness (μm)	0.25	0.30	0.25	0.25	0.25
T_start (C)	60.	60.	40.	60.	35.
T_end (C)	280.	285.	210.	240.	280.
Heat rate (K/min)	3.	4.3	2.	3.	3.
Initial hold (min)			2.		2.
Final hold (min)			33.		15.
I	1540.	1542.	1545.	1542.	1553.
Reference	Congiu, Falconieri, et al., 2002	Gudzic, Djokovic, et al., 2002	Kabouss, Charrouf, et al., 2002	Kobaisy, Tellez, et al., 2002	Krauze-Baranowska, Mardarowicz, et al., 2002
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	HP-5	DB-5	DB-5	DB-5MS	DB-5
Column length (m)	30.	25.	30.	30.	30.
Carrier gas		N2	He	He	He
Substrate
Column diameter (mm)	0.25	0.23	0.25	0.25	0.25
Phase thickness (μm)	0.25	0.15	0.25	0.25	0.25
T_start (C)	60.	50.	60.	60.	60.
T_end (C)	275.	250.	240.	240.	220.
Heat rate (K/min)	4.	3.	3.	3.	4.
Initial hold (min)	4.				5.
Final hold (min)
I	1534.	1542.	1544.	1545.	1546.
Reference	Lockwood, Asghari, et al., 2002	Mahmout, Bessière, et al., 2002	Maia, da Silva, et al., 2002	Maia, Zoghbi, et al., 2002	Morteza-Semnani, Saeedi, et al., 2002
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	DB-1	HP-1	DB-1	HP-5	DB-5MS
Column length (m)	30.	50.	50.	30.	30.
Carrier gas	He	N2	N2	H2	He
Substrate
Column diameter (mm)	0.25	0.25	0.25	0.25	0.25
Phase thickness (μm)	0.25	0.25	0.25	0.25	0.25
T_start (C)	60.	90.	60.	40.	60.
T_end (C)	250.	220.	240.	280.	270.
Heat rate (K/min)	4.	3.	3.	4.	3.
Initial hold (min)	10.
Final hold (min)
I	1548.	1530.	1511.	1542.	1543.
Reference	Norouzi-Arasi, Yavari, et al., 2002	Priestap, van Baren, et al., 2002	Velasco-Negueruela, Pérez-Alonso, et al., 2002	Velickovic, Randjelovic, et al., 2002	Zoghbi, Andrade, et al., 2002
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	DB-5	DB-1	RSL-200	RTX-1	DB-5MS
Column length (m)	30.	60.	30.	30.	30.
Carrier gas	He	N2	H2	N2	He
Substrate
Column diameter (mm)	0.25	0.248	0.32	0.25	0.25
Phase thickness (μm)	0.25	0.25	0.25	0.25	0.25
T_start (C)	60.	60.	40.	60.	60.
T_end (C)	240.	220.	280.	300.	240.
Heat rate (K/min)	3.	3.	6.	4.	3.
Initial hold (min)		5.	5.
Final hold (min)		22.	5.		30.
I	1543.	1535.	1531.	1533.	1524.
Reference	Zoghbi, Andrade, et al., 2002, 2	Bailac, Dellacasa, et al., 2001	Jirovetz L., Buchbauer G., et al., 2001	Kalemba, Marschall, et al., 2001	Marongiu, Porcedda, et al., 2001
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	PTE-5	HP-5	DB-5	OV-101	HP-1
Column length (m)	60.	30.	30.	25.	25.
Carrier gas	H2	H2	He	N2	H2
Substrate
Column diameter (mm)	0.32	0.25	0.25	0.25	0.32
Phase thickness (μm)	0.3	0.25	0.25		0.17
T_start (C)	60.	40.	60.	50.	40.
T_end (C)	285.	280.	240.	200.	260.
Heat rate (K/min)	4.3	3.	3.	5.	3.
Initial hold (min)		10.			5.
Final hold (min)		10.
I	1542.	1540.	1542.	1536.	1519.
Reference	Stojanovic, Palic, et al., 2001	Bicalho, Pereira, et al., 2000	Tellez, Dayan, et al., 2000	Ayedoun, Adéoti, et al., 1999	Lopes, Koketsu, et al., 1999
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	CP Sil 5 CB	DB-5	DB-5	DB-5	CBP-1
Column length (m)	25.	30.	30.	30.	25.
Carrier gas	He	He	Helium	He	He
Substrate
Column diameter (mm)	0.25	0.25	0.25	0.25	0.22
Phase thickness (μm)	0.39	0.25	0.25
T_start (C)	60.	65.	60.	60.	60.
T_end (C)	220.	300.	240.	240.	240.
Heat rate (K/min)	5.	4.	3.	4.	5.
Initial hold (min)	5.	2.
Final hold (min)	20.
I	1532.	1580.	1542.	1537.	1536.
Reference	Rustaiyan, Masoudi, et al., 1999	Elias, Simoneit, et al., 1997	Tellez, Estell, et al., 1997	Zunino, Novillo-Newton, et al., 1997	Zygadlo, Ariza-Espinar, et al., 1997
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary
Active phase	CP Sil 5 CB
Column length (m)	25.
Carrier gas
Substrate
Column diameter (mm)	0.25
Phase thickness (μm)
T_start (C)	60.
T_end (C)	280.
Heat rate (K/min)	5.
Initial hold (min)
Final hold (min)
I	1534.
Reference	Kaul, Singh, et al., 1993
Comment	MSDC-RI

References

Go To: Top, Normal alkane RI, non-polar column, temperature ramp, Notes

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Elfami, Komar, et al., 2006
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Gohari, Hadjiakhoondi, et al., 2006
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Gohari A.R., Hadjiakhoondi A., et al., 2006
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Javidnia, Miri, et al., 2006
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Kucuk, Gulec, et al., 2006
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Lesueur, Ban, et al., 2006
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Morteza-Semnani K., Saeedi M., et al., 2006
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Pala-Paul J., Perez-Alonso M.J., et al., 2006
Pala-Paul J.; Perez-Alonso M.J.; Velasco-Negueruela A.; Ballesteros M.T.; Sanz J., Essential oil composition of Sideritis hirsuta L. from Guadalajara Province, Spain, Flavour Fragr. J., 2006, 21, 3, 410-415, https://doi.org/10.1002/ffj.1727 . [all data]

Pino, Marquez, et al., 2006
Pino, J.A.; Marquez, E.; Marbot, R., Volatile constituents from tea of roselle (Hibiscus sabdariffa L.), Rev. CENIC Ciencias Quimicas, 2006, 37, 3, 127-129. [all data]

Pino, Marbot, et al., 2006
Pino, J.A.; Marbot, R.; Payo, A.; Chao, D.; Herrera, P., Aromatic Plants from Western Cuba VII. Composition of the Leaf Oil of Psidium wrightii KRug et Urb., Lantana involucrata L., Cinnamonum montanum (Sw.) Berchtold et J. Persl. and Caesalpinia violacea (Mill.) Standley, J. Essent. Oil. Res., 2006, 18, 2, 170-174, https://doi.org/10.1080/10412905.2006.9699058 . [all data]

Pitarokili, Tzakou, et al., 2006
Pitarokili, D.; Tzakou, O.; Loukis, A., Essential oil composition of Salvia verticillata, S. verbenaca, S. glutinosa and S. candidissima growing wild in Greece, Flavour Fragr. J., 2006, 21, 4, 670-673, https://doi.org/10.1002/ffj.1647 . [all data]

Asadipour, Mehrabani, et al., 2005
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Chaverri and Cicció, 2005
Chaverri, C.; Cicció, J.F., Essential oil of trees of the genus Ocotea (Lauraceae) in Costa Rica. I. Ocotea brenesii, Rev. Biol. Trop., 2005, 53, 3-4, 431-436, https://doi.org/10.15517/rbt.v53i3-4.14611 . [all data]

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Gauvin, A.; Smadja, J., Essential oil composition of four Psiadia species from Reunion Island: A chemotaxonomic study, Biochem. Syst. Ecol., 2005, 33, 7, 705-714, https://doi.org/10.1016/j.bse.2004.12.013 . [all data]

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Stashenko, Jaramillo, et al., 2003
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Velickovic, Randjelovic, et al., 2003
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Velickovic, Ristic, et al., 2003
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Zoghbi, Andrade, et al., 2003
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Boyom, Keumedjio, et al., 2002
Boyom, F.F.; Keumedjio, F.; Dongmo, P.M.J.; Ngadjui, B.T.; Zollo, A.; Menut, C.; Bessiere, J.M., Essential oils from Croton zambesicus Muell. Arg. growing in Cameroon, Flavour Fragr. J., 2002, 17, 3, 215-217, https://doi.org/10.1002/ffj.1081 . [all data]

Caredda, Marongiu, et al., 2002
Caredda, A.; Marongiu, B.; Porcedda, S.; Soro, C., Supercritical carbon dioxide extraction and characterization of Laurus nobilis essential oil, J. Agric. Food Chem., 2002, 50, 6, 1492-1496, https://doi.org/10.1021/jf0108563 . [all data]

Cicció and Gómez-Laurito, 2002
Cicció, J.F.; Gómez-Laurito, J., Volatile constituents of the leaves of Siparuna thecaphora (Siparunaceae) from Turrialba, Costa Rica, Rev. Biol. Trop., 2002, 50, 3/4, 963-967. [all data]

Congiu, Falconieri, et al., 2002
Congiu, R.; Falconieri, D.; Marongiu, B.; Piras, A.; Porcedda, S., Extraction and isolation of Pistacia lentiscus L. essential oil by supercritical CO₂, Flavour Fragr. J., 2002, 17, 4, 239-244, https://doi.org/10.1002/ffj.1095 . [all data]

Gudzic, Djokovic, et al., 2002
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Kabouss, Charrouf, et al., 2002
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Kobaisy, Tellez, et al., 2002
Kobaisy, M.; Tellez, M.R.; Dayan, F.E.; Duke, S.O., Phytotoxicity and volatile constituents from leaves of Callicarpa japonica Thunb., Phytochemistry, 2002, 61, 1, 37-40, https://doi.org/10.1016/S0031-9422(02)00207-8 . [all data]

Krauze-Baranowska, Mardarowicz, et al., 2002
Krauze-Baranowska, M.; Mardarowicz, M.; Wiwart, M.; Poblocka, L.; Dynowska, M., Antifungal activity of the essential oils from some species of the genus Pinus, Z. Naturforsch., 2002, 57c, 478-482. [all data]

Lockwood, Asghari, et al., 2002
Lockwood, G.B.; Asghari, G.; Hakimi, B., Production of essential oil constituents by cultured cells of Carum copticum L., Flavour Fragr. J., 2002, 17, 6, 456-458, https://doi.org/10.1002/ffj.1129 . [all data]

Mahmout, Bessière, et al., 2002
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Maia, da Silva, et al., 2002
Maia, J.G.S.; da Silva, M.H.L.; Andrade, E.H.A.; Zoghbi, M.G.B.; Carreira, L.M.M., Essential oils from Astronium urundeuva (Allemao) Engl. and A. fraxinifolium Schott ex Spreng., Flavour Fragr. J., 2002, 17, 1, 72-74, https://doi.org/10.1002/ffj.1046 . [all data]

Maia, Zoghbi, et al., 2002
Maia, J.G.S.; Zoghbi, M.G.B.; Andrade, E.H.A.; da Silva, M.H.L.; Luz, A.I.R.; da Silva, J.D., Essential oils composition of Eupatorium species growing wild in the Amazon, Biochem. Syst. Ecol., 2002, 30, 11, 1071-1077, https://doi.org/10.1016/S0305-1978(02)00059-5 . [all data]

Morteza-Semnani, Saeedi, et al., 2002
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Norouzi-Arasi, Yavari, et al., 2002
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Priestap, van Baren, et al., 2002
Priestap, H.A.; van Baren, C.M.; Lira, P.D.L.; Prado, H.J.; Neugebauer, M.; Mayer, R.; Bandoni, A.L., Essential oils from aerial parts of Aristolochia gibertii Hook., Flavour Fragr. J., 2002, 17, 1, 69-71, https://doi.org/10.1002/ffj.1044 . [all data]

Velasco-Negueruela, Pérez-Alonso, et al., 2002
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Velickovic, Randjelovic, et al., 2002
Velickovic, D.T.; Randjelovic, N.V.; Ristic, M.S.; Smelcerovic, A.A.; Velickovic, A.S., Chemical composition and antimicrobial action of the ethanol extracts of Salvia pratensis L., Salvia glutinosa L. and Salvia aethiopis L., J. Serb. Chem. Soc., 2002, 67, 10, 639-646, https://doi.org/10.2298/JSC0210639V . [all data]

Zoghbi, Andrade, et al., 2002
Zoghbi, M.G.B.; Andrade, E.H.A.; da Silva, M.H.L.; Maia, J.G.S., Volatile constituents of Lippia lupulina Cham., Flavour Fragr. J., 2002, 17, 1, 29-31, https://doi.org/10.1002/ffj.1032 . [all data]

Zoghbi, Andrade, et al., 2002, 2
Zoghbi, M.G.B.; Andrade, E.H.A.; da Silva, M.H.; Maia, J.G.S.; Luz, A.I.R.; da Silva, J.D., Chemical variation in the essential oils of Hyptis crenata Pohl ex Benth., Flavour Fragr. J., 2002, 17, 1, 5-8, https://doi.org/10.1002/ffj.1031 . [all data]

Bailac, Dellacasa, et al., 2001
Bailac, P.N.; Dellacasa, A.D.; Bernasconi, H.O.; Ponzi, M.I.; Firpo, N.H., Essential oil of female plants of Baccharis coridifolia De Candole, J. Essent. Oil Res., 2001, 13, 1, 23-24, https://doi.org/10.1080/10412905.2001.9699593 . [all data]

Jirovetz L., Buchbauer G., et al., 2001
Jirovetz L.; Buchbauer G.; Shafi P.M.; Rosamma M.K.; Geissler M., Analysis of the composition and aroma of the essential leaf oil of Syzygium travancoricum from South India by GC-FID, GC-MS, and olfactometry. Seasonal changes of composition, Chromatographia Sup., 2001, 53, S1, s372-s374, https://doi.org/10.1007/BF02490359 . [all data]

Kalemba, Marschall, et al., 2001
Kalemba, D.; Marschall, H.; Bradesi, P., Constituents of the essential oil of Solidago gigantea Ait. (giant goldenrod), Flavour Fragr. J., 2001, 16, 1, 19-26, https://doi.org/10.1002/1099-1026(200101/02)16:1<19::AID-FFJ940>3.0.CO;2-U . [all data]

Marongiu, Porcedda, et al., 2001
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Stojanovic, Palic, et al., 2001
Stojanovic, G.; Palic, R.; Naskovic, T.; Dokovic, D.; Milosavljevic, S., Volatile constituents of Achillea lingulata W.K., J. Essent. Oil Res., 2001, 13, 5, 378-379, https://doi.org/10.1080/10412905.2001.9712239 . [all data]

Bicalho, Pereira, et al., 2000
Bicalho, B.; Pereira, A.S.; Aquino Neto, F.R.; Pinto, A.C.; Rezende, C.M., Application of high-temperature gas chromatography-mass spectrometry to the investigation of glycosidically bound components related to cashew applie (Anacardium occidentale L. Var. nanum) volatiles, J. Agric. Food Chem., 2000, 48, 4, 1167-1174, https://doi.org/10.1021/jf9909252 . [all data]

Tellez, Dayan, et al., 2000
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Lopes, Koketsu, et al., 1999
Lopes, D.; Koketsu, M.; Carauta, J.P.P.; de Oliveira, R.R.; Kaplan, M.A.C., Chemical composition of Pourouma guianensis Aublet essential oils, Flavour Fragr. J., 1999, 14, 4, 233-236, https://doi.org/10.1002/(SICI)1099-1026(199907/08)14:4<233::AID-FFJ813>3.0.CO;2-L . [all data]

Rustaiyan, Masoudi, et al., 1999
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Elias, Simoneit, et al., 1997
Elias, V.O.; Simoneit, B.R.T.; Cardoso, J.N., Analysis of volatile sesquiterpenoids in environmental and geological samples, J. Hi. Res. Chromatogr., 1997, 20, 6, 305-309, https://doi.org/10.1002/jhrc.1240200602 . [all data]

Tellez, Estell, et al., 1997
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Zunino, Novillo-Newton, et al., 1997
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Zygadlo, Ariza-Espinar, et al., 1997
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Kaul, Singh, et al., 1993
Kaul, V.K.; Singh, B.; Sood, R.P., Volatile Constituents of the Essential Oil of Tanacetum longifolium Wall., J. Essent. Oil Res., 1993, 5, 6, 597-601, https://doi.org/10.1080/10412905.1993.9698290 . [all data]

Notes

Go To: Top, Normal alkane RI, non-polar column, temperature ramp, References

Symbols used in this document:

T_end Final temperature

T_start Initial temperature
Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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