α-Cubebene

Formula: C₁₅H₂₄
Molecular weight: 204.3511
IUPAC Standard InChI: InChI=1S/C15H24/c1-9(2)12-6-5-11(4)15-8-7-10(3)13(15)14(12)15/h7,9,11-14H,5-6,8H2,1-4H3
IUPAC Standard InChIKey: XUEHVOLRMXNRKQ-UHFFFAOYSA-N
CAS Registry Number: 17699-14-8
Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
The 3d structure may be viewed using Java or Javascript.
Stereoisomers:
- Cubebene
- 6-epi-α-Cubebene
Other names: 1H-Cyclopenta[1,3]cyclopropa[1,2]benzene, 3a,3b,4,5,6,7-hexahydro-3,7-dimethyl-4-(1-methylethyl)-, [3aS-(3aα,3bβ,4β,7α,7aS*)-(-)-]; 1H-Cyclopenta[1,3]cyclopropa[1,2]benzene, 3aα,3bα,4,5,6,7-hexahydro-4α-isopropyl-3,7β-dimethyl-, (-)-; (-)-α-Cubebene; 1H-Cyclopenta[1,3]cyclopropa[1,2]benzene, 3a,3b,4,5,6,7-hexahydro-3,7-dimethyl-4-(1-methylethyl)-, [3aS-(3aα,3bβ,4β,7α,7aS*)]-; 1H-Cyclopenta[1,3]cyclopropa[1,2]benzene, 3a,3b,4,5,6,7-hexahydro-3,7-dimethyl-4-(1-methylethyl)-, (3aα,3bα,4α,7β,7aR*)-(-)-; 4-Isopropyl-3,7-dimethyl-3a,3b,4,5,6,7-hexahydro-1H-cyclopenta[2,3]cyclopropa[1,2-a]benzene-, (3aS,3bR,4S,7R,7aR)-; alpha-Cubebene; α-Cubenene; Cubebene; α-Cubeben; 1H-Cyclopenta[1,3]cyclopropa[1,2]benzene, 3a,3b,4,5,6,7-hexahydro-3,7-dimethyl-4-(1-methylethyl)-, (3aS,3bR,4S,7R,7aR)-
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Van Den Dool and Kratz 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	CP-Sil PONA GB	DB-5	BP-1	DB-5	RTX-1
Column length (m)	100.	30.	50.	30.	60.
Carrier gas	He	He	He	He	He
Substrate
Column diameter (mm)	0.25	0.25	0.22	0.25	0.22
Phase thickness (μm)	0.25	0.25	0.25	0.25	0.25
T_start (C)	140.	60.	60.	60.	60.
T_end (C)	230.	246.	220.	240.	230.
Heat rate (K/min)	5.	3.	2.	3.	2.
Initial hold (min)	10.
Final hold (min)	25.		20.		35.
I	1366.	1372.	1350.	1351.	1350.
Reference	Cunicao, Lopes, et al., 2007	Hongratanaworakit and Buchbauer, 2007	Lesueur, de Rocca Serra, et al., 2007	Maccioni, Baldini, et al., 2007	Paolini J., Costa J., et al., 2007
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	RTX-1	HP-5	SPB-1	HP-5MS	DB-5
Column length (m)	60.	30.	30.	30.	25.
Carrier gas	He	He	He	He	He
Substrate
Column diameter (mm)	0.22	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.	50.	50.	60.	60.
T_end (C)	230.	250.	250.	280.	200.
Heat rate (K/min)	2.	4.	5.	4.	2.
Initial hold (min)		4.	3.	5.
Final hold (min)	35.	10.	15.		60.
I	1350.	1351.	1336.	1348.	1346.
Reference	Paolini, Muselli, et al., 2007	Quijano, Salamanca, et al., 2007	Radulovic, Lazarevic, et al., 2007	Radulovic, Lazarevic, et al., 2007	Rout, Rao, et al., 2007
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	HP-5MS	DB-5	HP-5MS	HP-5MS	BP-1
Column length (m)	30.	30.	30.	30.	50.
Carrier gas	He	He	He	He	He
Substrate
Column diameter (mm)	0.25	0.25	0.25	0.25	0.22
Phase thickness (μm)	0.25	0.25	0.25	0.25	0.25
T_start (C)	60.	60.	60.	80.	60.
T_end (C)	280.	240.	280.	300.	220.
Heat rate (K/min)	4.	3.	3.	4.	2.
Initial hold (min)	5.
Final hold (min)					20.
I	1348.	1351.	1348.	1381.2	1350.
Reference	Saroglou, Marin, et al., 2007	Telascrea, de Araujo, et al., 2007	Vagionas, Ngassapa, et al., 2007	Zeng, Zhao, et al., 2007	Boti, Bighelli, 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	HP-5
Column length (m)	30.	30.	50.	30.	30.
Carrier gas	N2	N2	N2	N2	He
Substrate
Column diameter (mm)	0.32	0.25	0.2	0.25	0.25
Phase thickness (μm)	0.25	0.25	0.32	0.25	0.25
T_start (C)	60.	60.	60.	60.	60.
T_end (C)	240.	240.	220.	220.	250.
Heat rate (K/min)	3.	3.	5.	5.	3.
Initial hold (min)	3.	3.	3.	10.
Final hold (min)	5.	3.	5.
I	1346.	1351.	1351.	1352.	1349.
Reference	Dob, Dahmane, et al., 2006	Dob, Dahmane, et al., 2006, 2	Esmaeili, Nematollahi, et al., 2006	Flamini, Tebano, et al., 2006	Javidnia, Miri, et al., 2006
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-5MS	DB-5
Column length (m)	30.	30.	50.	30.	30.
Carrier gas	He	N2	N2	He	He
Substrate
Column diameter (mm)	0.25	0.25	0.2	0.25	0.32
Phase thickness (μm)	0.25	0.25	0.32	0.25	0.25
T_start (C)	60.	50.	60.	60.	60.
T_end (C)	260.	220.	220.	280.	280.
Heat rate (K/min)	3.	4.	5.	3.	3.
Initial hold (min)			3.
Final hold (min)			5.
I	1354.	1347.	1351.	1323.	1342.
Reference	Javidnia K., Miri R., et al., 2006	Kuiate, Bessière, et al., 2006	Masoudi, Esmaeili, et al., 2006	Pavlovic, Kovacevic, et al., 2006	Pavlovic, Tzakou, et al., 2006
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	HP-5	SPB-1	SPB-1	DB-1	HP-5
Column length (m)	60.	30.	30.	30.	25.
Carrier gas	He	He	He	He	He
Substrate
Column diameter (mm)	0.25	0.2	0.25	0.25	0.25
Phase thickness (μm)	0.25	0.2	0.25	0.25	0.25
T_start (C)	60.	70.	50.	60.	60.
T_end (C)	250.	220.	250.	240.	240.
Heat rate (K/min)	3.	3.	5.	4.	4.
Initial hold (min)			3.
Final hold (min)		15.	15.
I	1356.	1342.	1337.	1365.	1352.
Reference	Perraudin, Popovici, et al., 2006	Pinto, Pina-Vaz, et al., 2006	Radulovic, Mananjarasoa, et al., 2006	Rezazadeh, Hamedani, et al., 2006	Rezazadeh, Hamedani, et al., 2006
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	SPB-1	HP-5MS	HP-5MS	DB-5	HP-5
Column length (m)	30.	30.	30.	30.	30.
Carrier gas	He	He	He	He	He
Substrate
Column diameter (mm)	0.2	0.25	0.25	0.25	0.25
Phase thickness (μm)	0.2	0.25	0.25	0.25	0.25
T_start (C)	70.	60.	60.	50.	40.
T_end (C)	220.	280.	300.	250.	300.
Heat rate (K/min)	3.	4.	3.	5.	4.
Initial hold (min)		5.		2.	5.
Final hold (min)	15.
I	1342.	1349.	1347.	1351.	1344.
Reference	Salgueiro L.R., Pinto E., et al., 2006	Saroglou, Dorizas, et al., 2006	Silva-Brandão, Solferini, et al., 2006	Su, Ho, et al., 2006	Vundac, Pfeifhofer, et al., 2006
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	HP-5MS	BP-1	SE-54	HP-5	DB-5
Column length (m)	30.	50.	50.	30.	60.
Carrier gas	He	He	H2	N2	N2
Substrate
Column diameter (mm)	0.25	0.22	0.25	0.25	0.25
Phase thickness (μm)	0.25	0.25	0.27	0.25	0.25
T_start (C)	80.	60.	50.	60.	70.
T_end (C)	300.	220.	300.	220.	230.
Heat rate (K/min)	4.	2.	5.	5.	2.
Initial hold (min)				10.	2.
Final hold (min)		20.			20.
I	1379.9	1351.	1350.	1351.	1345.
Reference	Zhao C.X., Li, et al., 2006	Boti J.B., Koukoua G., et al., 2005	Brantner, Pfeifhofer, et al., 2005	Celik, Gokturk, et al., 2005	Choi, 2005
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	DB-1	DB-1	DB-1	5 % Phenyl methyl siloxane	DB-1
Column length (m)	30.	30.	30.	30.	30.
Carrier gas	N2	N2		He	He
Substrate
Column diameter (mm)	0.32	0.32	0.32	0.25	0.25
Phase thickness (μm)	0.25	0.25	0.25	1.	0.25
T_start (C)	50.	50.	50.	40.	40.
T_end (C)	260.	260.	250.	250.	250.
Heat rate (K/min)	2.	2.	2.	7.	3.
Initial hold (min)	3.	3.	8.	10.
Final hold (min)	5.	5.		5.	20.
I	1351.	1328.	1325.	1366.	1332.
Reference	Dob, Berramdane, et al., 2005	Dob T., Berramdane T., et al., 2005	Dob, Dahmane, et al., 2005	Estevez, Ventanas, et al., 2005	Fanciullino, Gancel, et al., 2005
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	HP-5	HP-5	RTX-1	DB-1	HP-5MS
Column length (m)	30.	30.	60.	30.	30.
Carrier gas	N2	He	He	N2	He
Substrate
Column diameter (mm)	0.25	0.25	0.22	0.25	0.25
Phase thickness (μm)	0.25		0.25	0.25	0.25
T_start (C)	60.	60.	60.	50.	80.
T_end (C)	220.	260.	230.	200.	290.
Heat rate (K/min)	5.	3.	2.	5.	2.
Initial hold (min)	10.
Final hold (min)			35.
I	1352.	1352.	1350.	1352.	1373.9
Reference	Flamini, Luigi Cioni, et al., 2005	Javidnia, Miri, et al., 2005	Paolini, Costa, et al., 2005	Tchoumbougnang, Zollo, et al., 2005	Zhao, Liang, et al., 2005
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	HP-5MS	HP-5MS	HP-5MS	SPB-1	HP-5
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)	80.	80.	60.	70.	60.
T_end (C)	290.	290.	280.	220.	220.
Heat rate (K/min)	4.	6.	3.	3.	5.
Initial hold (min)					10.
Final hold (min)				15.
I	1380.3	1384.5	1346.	1342.	1350.
Reference	Zhao, Liang, et al., 2005	Zhao, Liang, et al., 2005	Aligiannis, Kalpoutzakis, et al., 2004	Antunes, Sevinate-Pinto, et al., 2004	Bertoli, Menichini, et al., 2004
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-5MS	HP-5	HP-5
Column length (m)	30.	30.	30.	30.	30.
Carrier gas	He	N2	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)	50.	60.	60.	40.	60.
T_end (C)	290.	220.	280.	250.	260.
Heat rate (K/min)	4.	5.	4.	3.	3.
Initial hold (min)		10.	5.
Final hold (min)
I	1350.	1352.	1348.	1354.	1350.
Reference	Flach A., Dondon R.C., et al., 2004	Flamini, Luigi Cioni, et al., 2004	Grujic-Jovanovic, Skaltsa, et al., 2004	Isidorov, Krajewska, et al., 2004	Javidnia, Miri, et al., 2004
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	HP-5MS	DB-5	HP-5	Optima 5	DB-5MS
Column length (m)	30.	30.	50.	25.	30.
Carrier gas	He	He	He	He	He
Substrate
Column diameter (mm)	0.25	0.25	0.2	0.25	0.25
Phase thickness (μm)	0.25	0.25	0.2	0.25	0.25
T_start (C)	60.	50.	40.	60.	40.
T_end (C)	280.	290.	250.	280.	200.
Heat rate (K/min)	4.	4.	3.	3.	4.
Initial hold (min)	5.		15.		5.
Final hold (min)			40.	20.	20.
I	1350.	1346.	1351.	1345.	1350.
Reference	Karioti, Hadjipavlou-Litina, et al., 2004	Reis, Pansarim, et al., 2004	Stashenko, Jaramillo, et al., 2004	Vérité, Nacer, et al., 2004	Yu, Kim, et al., 2004
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	DB-5MS	DB-5	BPX-5	OV-1	SPB-1
Column length (m)	30.	25.	30.	25.	30.
Carrier gas	He	N2	N2	H2	He
Substrate
Column diameter (mm)	0.25	0.25	0.25	0.25	0.2
Phase thickness (μm)	0.25	0.25	0.25	0.3	0.2
T_start (C)	40.	75.	75.	50.	70.
T_end (C)	200.	210.	210.	200.	220.
Heat rate (K/min)	4.	3.	3.	3.	3.
Initial hold (min)	5.	10.	10.	1.
Final hold (min)	20.	1.	1.	20.	15.
I	1351.	1348.	1350.	1363.	1342.
Reference	Yu, Kim, et al., 2004, 2	bin Ahmad and bin Jantan, 2003	bin Ahmad and bin Jantan, 2003, 2	Bicchi, Rubiolo, et al., 2003	Cavaleiro, Salgueiro, et al., 2003
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	RTX-1	Ultra-2	DB-5	HP-5	DB-1
Column length (m)	60.	25.	30.	30.	30.
Carrier gas	He	H2	N2	N2	He
Substrate
Column diameter (mm)	0.22	0.25	0.25	0.25	0.25
Phase thickness (μm)	0.25	0.33	0.25	0.25	0.25
T_start (C)	60.	40.	70.	60.	40.
T_end (C)	230.	280.	230.	220.	250.
Heat rate (K/min)	2.	3.	2.	5.	2.
Initial hold (min)		2.	2.	10.	5.
Final hold (min)	45.	10.	20.		20.
I	1348.	1349.	1345.	1352.	1336.
Reference	Cavalli, Tomi, et al., 2003	Ceva-Antunes, Bizzo, et al., 2003	Choi, 2003	Dural, Bagci, et al., 2003	de Feo, Bruno, et al., 2003
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	DB-1	HP-5	DB-5	DB-5	HP-5
Column length (m)	30.	30.	30.	30.	30.
Carrier gas	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
T_start (C)	40.	25.	75.	75.	60.
T_end (C)	250.	150.	230.	230.	280.
Heat rate (K/min)	3.	3.	3.	3.	4.
Initial hold (min)		5.	10.	10.	5.
Final hold (min)	20.		20.
I	1332.	1350.	1340.	1350.	1351.
Reference	Gancel, Ollitrault, et al., 2003	Isidorov, Vinogorova, et al., 2003	Jantan, Ling, et al., 2003	bin Jantan, Yassin, et al., 2003	Karioti, Skaltsa, 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	RTX-5	HP-5	HP-5	HP-5
Column length (m)	30.	30.	30.	30.	30.
Carrier gas	He	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)	60.	45.	40.	60.	60.
T_end (C)	240.	250.	240.	280.	280.
Heat rate (K/min)	3.	3.	3.	4.	3.
Initial hold (min)		6.		5.
Final hold (min)
I	1352.	1352.	1351.	1348.	1350.
Reference	Macchioni, Cioni, et al., 2003	Shellie, Marriott, et al., 2003	Shellie and Marriott, 2003	Skaltsa, Demetzos, et al., 2003	Tzakou, Couladis, et al., 2003
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	SPB-1	DB-5	HP-5	DB-1	RTX-5
Column length (m)	30.	30.	30.	25.	30.
Carrier gas	He			N2	He
Substrate
Column diameter (mm)	0.20	0.25	0.25	0.25	0.25
Phase thickness (μm)	0.20	0.25	0.25		0.25
T_start (C)	70.	50.	60.	60.	45.
T_end (C)	220.	280.	280.	180.	300.
Heat rate (K/min)	3.	3.	3.	3.	3.
Initial hold (min)		5.	5.	10.	6.
Final hold (min)	15.			10.	10.
I	1343.	1351.	1353.	1350.	1352.
Reference	Cavaleiro, Salgueiro, et al., 2002	Economakis, Skaltsa, et al., 2002	Fokialakis, Magiatis, et al., 2002	bin Jantan and bin Ahmad, 2002	Mondello, Zappia, et al., 2002
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	CP Sil 5 CB	CP Sil 5 CB	HP-5	HP-5MS	HP-5
Column length (m)	30.	50.	30.	30.	30.
Carrier gas	H2	He	He	He	He
Substrate
Column diameter (mm)	0.25	0.32	0.25	0.25	0.25
Phase thickness (μm)	0.25	0.4	0.25	0.25	0.25
T_start (C)	60.	60.	60.	50.	60.
T_end (C)	280.	280.	280.	250.	280.
Heat rate (K/min)	2.	3.	3.	5.	3.
Initial hold (min)	10.	10.		2.	5.
Final hold (min)	40.	60.		5.
I	1349.	1349.	1322.	1360.	1351.
Reference	Pino, Marbot, et al., 2002	Pino, Marbot, et al., 2002, 2	Pitarokili, Couladis, et al., 2002	Shang, Hu, et al., 2002	Aligiannis, Kalpoutzakis, et al., 2001
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	HP-5	HP-5	BP-1	HP-5MS	DB-5
Column length (m)	30.	30.	50.	30.	30.
Carrier gas	He	He		He	He
Substrate
Column diameter (mm)	0.25	0.25	0.22	0.25	0.25
Phase thickness (μm)	0.25	0.50	0.25	0.25	0.25
T_start (C)	60.	60.	60.	60.	60.
T_end (C)	380.	280.	220.	280.	240.
Heat rate (K/min)	3.	3.	2.	4.	3.
Initial hold (min)				5.	2.
Final hold (min)			20.
I	1342.	1350.	1350.	1348.	1357.
Reference	Couladis, Tsortanidou, et al., 2001	Couladis, Tzakou, et al., 2001	Rezzi, Cavaleiro, et al., 2001	Skaltsa, Mavrommati, et al., 2001	Maia, de Paula, et al., 2000
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	DB-5	HP-101	CP Sil 5 CB	HP-5	Mega 5MS
Column length (m)	30.	25.	50.	30.	30.
Carrier gas	He	He	H2	He	He
Substrate
Column diameter (mm)	0.25	0.2	0.22	0.25	0.25
Phase thickness (μm)	0.25	0.2	0.13	0.25	0.25
T_start (C)	60.	70.	40.	70.	40.
T_end (C)	240.	200.	300.	230.	240.
Heat rate (K/min)	3.	3.	4.	2.	3.
Initial hold (min)	2.	2.			2.
Final hold (min)		10.	10.
I	1360.	1340.	1354.	1350.	1342.
Reference	Maia, de Paula, et al., 2000	Milos and Radonic, 2000	Pfeifhofer, 2000	Song, Sawamura, et al., 2000	Verzera, Trozzi, et al., 2000
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	CBP-1	HP-5	HP-1	Methyl Silicone	CP Sil 5 CB
Column length (m)	30.	30.	60.	50.	25.
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	0.17
T_start (C)	60.	50.	50.	80.	60.
T_end (C)	240.	280.	250.	200.	260.
Heat rate (K/min)	4.	4.	2.5	2.	5.
Initial hold (min)		5.	5.
Final hold (min)
I	1358.	1346.	1381.	1366.	1352.
Reference	Zunino, Lopez, et al., 2000	Lazari, Skaltsa, et al., 1999	Stashenko, Cervantes, et al., 1999	Sumathykutty, Rao, et al., 1999	Weyerstahl, Marschall, et al., 1999
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	DB-5	HP-5	BP-1	BP-1	OV-1
Column length (m)	30.		25.	25.	25.
Carrier gas	H2	He	He	He	H2
Substrate
Column diameter (mm)	0.25	0.26	0.32	0.32	0.25
Phase thickness (μm)	0.25	0.25			0.3
T_start (C)	60.	60.	5.	5.	50.
T_end (C)	240.	240.	250.	250.	200.
Heat rate (K/min)	3.	3.	5.	5.	3.
Initial hold (min)			5.	5.	1.
Final hold (min)			30.	30.	20.
I	1349.	1349.	1356.	1356.	1363.
Reference	Nogueira, Marsaioli, et al., 1998	Oprean, Tamas, et al., 1998	Sinyinda and Gramshaw, 1998	Sinyinda and Gramshaw, 1998	Bicchi, Fresia, et al., 1997
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary
Active phase	BP-1	DB-5	Methyl Silicone	DB-1
Column length (m)	50.	30.	25.	30.
Carrier gas	He	He	He	He
Substrate
Column diameter (mm)	0.22	0.26	0.2	0.20
Phase thickness (μm)	0.25	0.25	0.3	0.20
T_start (C)	60.	50.	40.	70.
T_end (C)	230.	225.	200.	200.
Heat rate (K/min)	2.	2.	2.	4.
Initial hold (min)				5.
Final hold (min)	35.	20.
I	1351.	1363.	1346.	1379.
Reference	Mariotti, Costa, et al., 1997	Sagrero-Nieves, Bartley, et al., 1997	Píry, Príbela, et al., 1995	Stashenko, Wiame, et al., 1995
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

References

Go To: Top, Van Den Dool and Kratz RI, non-polar column, temperature ramp, Notes

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Zhao, Liang, et al., 2005
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Flamini, Luigi Cioni, et al., 2004
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Grujic-Jovanovic, Skaltsa, et al., 2004
Grujic-Jovanovic, S.; Skaltsa, H.D.; Marin, P.; Sokovic, M., Composition and antibacterial activity of the essential oil of six Stachys species from Serbia, Flavour Fragr. J., 2004, 19, 2, 139-144, https://doi.org/10.1002/ffj.1275 . [all data]

Isidorov, Krajewska, et al., 2004
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Javidnia, Miri, et al., 2004
Javidnia, K.; Miri, R.; Jafari, A.; Rezai, H., Analysis of the volatile constituents of Nepeta macrosiphon Boiss. grown in Iran, Flavour Fragr. J., 2004, 19, 2, 156-158, https://doi.org/10.1002/ffj.1287 . [all data]

Karioti, Hadjipavlou-Litina, et al., 2004
Karioti, A.; Hadjipavlou-Litina, D.; Mensah, M.L.K.; Fleischer, T.C.; Skaltsa, H., Composition and antioxidant activity of the essential oils of Xylopia aethiopica (Dun) A. Rich. (Annonaceae) leaves, stem bark, root bark, and fresh and dried fruits, growing in Ghana, J. Agric. Food Chem., 2004, 52, 26, 8094-8098, https://doi.org/10.1021/jf040150j . [all data]

Reis, Pansarim, et al., 2004
Reis, M.G.; Pansarim, E.R.; da Silva, U.F.; Estanislau do Amaral, M.C.; Marsaioli, A.J., Pollinator attraction devices (floral fragrances) of some Brazilian orchids, Arkivoc, 2004, 6, 89-97. [all data]

Stashenko, Jaramillo, et al., 2004
Stashenko, E.E.; Jaramillo, B.E.; Martínez, J.R., Analysis of volatile secondary metabolites from Colombian Xylopia aromatica (Lamarck) by different extraction and headspace methods and gas chromatography, J. Chromatogr. A, 2004, 1025, 1, 105-113, https://doi.org/10.1016/j.chroma.2003.10.059 . [all data]

Vérité, Nacer, et al., 2004
Vérité, P.; Nacer, A.; Kabouche, Z.; Seguin, E., Composition of seeds and stems essential oils of Pituranthos scoparius (Coss. Dur.) Schinz, Flavour Fragr. J., 2004, 19, 6, 562-564, https://doi.org/10.1002/ffj.1353 . [all data]

Yu, Kim, et al., 2004
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Yu, Kim, et al., 2004, 2
Yu, E.J.; Kim, T.H.; Kim, K.H.; Lee, H.J., Characterization of aroma-active compounds of Abies nephrolepis (Khingan fir) needles using aroma extract dilution analysis, Flavour Fragr. J., 2004, 19, 1, 74-79, https://doi.org/10.1002/ffj.1314 . [all data]

bin Ahmad and bin Jantan, 2003
bin Ahmad, F.; bin Jantan, I., Chemical constituents of the essential oils of Goniothalamus uvariodes King, Flavour Fragr. J., 2003, 18, 2, 128-130, https://doi.org/10.1002/ffj.1142 . [all data]

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bin Ahmad, F.; bin Jantan, I., The essential oils of Boesenbergia stenophylla R. M. Sm. as natural sources of methyl (E)-cinnamate, Flavour Fragr. J., 2003, 18, 6, 485-486, https://doi.org/10.1002/ffj.1227 . [all data]

Bicchi, Rubiolo, et al., 2003
Bicchi, C.; Rubiolo, P.; Camargo, E.E.S.; Vilegas, W.; Gracioso, J.S.; Brito, A.R.M.S., Components of Turnera diffusa Willd. var. afrodisiaca (Ward) Urb. essential oil, Flavour Fragr. J., 2003, 18, 1, 59-61, https://doi.org/10.1002/ffj.1155 . [all data]

Cavaleiro, Salgueiro, et al., 2003
Cavaleiro, C.; Salgueiro, L.R.; da Cunha, A.P.; Figueiredo, A.C.; Barroso, J.G.; Bighelli, A.; Casanova, J., Composition and variability of the essential oils of the leaves and berries from Juniperus navicularis, Biochem. Syst. Ecol., 2003, 31, 2, 193-201, https://doi.org/10.1016/S0305-1978(02)00080-7 . [all data]

Cavalli, Tomi, et al., 2003
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Ceva-Antunes, Bizzo, et al., 2003
Ceva-Antunes, P.M.N.; Bizzo, H.R.; Alves, S.M.; Antunes, O.A.C., Analysis of volatile compounds of taperebá (Spondias mombin L.) and Cajá (Spondias mombin L.) by simultaneous distillation and extraction (SDE) and solid phase microextraction (SPME), J. Agric. Food Chem., 2003, 51, 5, 1387-1392, https://doi.org/10.1021/jf025873m . [all data]

Choi, 2003
Choi, H.-S., Character impact odorants of Citrus Hallabong [(C. unshiu Marcov × C. sinensis Osbeck) × C. reticulata Blanco] cold-pressed peel oil, J. Agric. Food Chem., 2003, 51, 9, 2687-2692, https://doi.org/10.1021/jf021069o . [all data]

Dural, Bagci, et al., 2003
Dural, H.; Bagci, Y.; Ertugrul, K.; Demirelma, H.; Flamini, G.; Cioni, P.L.; Morelli, I., Essential oil composition of two endemic Centaurea species from Turkey, Centaurea mucronifera and Centaurea chrysantha, collected in the same habitat, Biochem. Syst. Ecol., 2003, 31, 12, 1417-1425, https://doi.org/10.1016/S0305-1978(03)00128-5 . [all data]

de Feo, Bruno, et al., 2003
de Feo, V.; Bruno, M.; Tahiri, B.; Napolitano, F.; Senatore, F., Chemical composition and antibacterial activity of essential oils from Thymus spinulosus Ten. (Lamiaceae), J. Agric. Food Chem., 2003, 51, 13, 3849-3853, https://doi.org/10.1021/jf021232f . [all data]

Gancel, Ollitrault, et al., 2003
Gancel, A.-L.; Ollitrault, P.; Froelicher, Y.; Tomi, F.; Jacquemond, C.; Luro, F.; Brillouet, J.-M., Leaf volatile compounds of seven citrus somatic tetraploid hybrids sharing willow leaf mandarin (Citrus deliciosa Ten.) as their common parent, J. Agric. Food Chem., 2003, 51, 20, 6006-6013, https://doi.org/10.1021/jf0345090 . [all data]

Isidorov, Vinogorova, et al., 2003
Isidorov, V.A.; Vinogorova, V.T.; Rafalowski, K., HS-SPME analysis of volatile organic compounds of coniferous needle litter, Atmos. Environ., 2003, 37, 33, 4645-4650, https://doi.org/10.1016/j.atmosenv.2003.07.005 . [all data]

Jantan, Ling, et al., 2003
Jantan, I.; Ling, Y.E.; Romli, S.; Ayop, N.; Ahmad, A.S., A comparative study of the constituents of the essential oils of three Cinnamomum species from Malaysia, J. Essent. Oil Res., 2003, 15, 6, 387-391, https://doi.org/10.1080/10412905.2003.9698618 . [all data]

bin Jantan, Yassin, et al., 2003
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Karioti, Skaltsa, et al., 2003
Karioti, A.; Skaltsa, H.; Demetzos, C.; Perdetzoglou, D.; Economakis, C.D.; Salem, A.B., Effect of nitrogen concentration of the nutrient solution on the volatile constituents of leaves of Salvia fruticosa Mill. in solution culture, J. Agric. Food Chem., 2003, 51, 22, 6505-6508, https://doi.org/10.1021/jf030308k . [all data]

Macchioni, Cioni, et al., 2003
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Shellie, Marriott, et al., 2003
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Shellie and Marriott, 2003
Shellie, R.A.; Marriott, P.J., Comprehensive two-dimensional gas chromatography-mass spectrometry analysis of Pelargonium graveolens essential oil using rapid scanning quadrupole mass spectrometry, Analyst, 2003, 128, 7, 879-883, https://doi.org/10.1039/b304371a . [all data]

Skaltsa, Demetzos, et al., 2003
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Tzakou, Couladis, et al., 2003
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Cavaleiro, Salgueiro, et al., 2002
Cavaleiro, C.; Salgueiro, L.R.; Antunes, T.; Sevinate-Pinto, I.; Barroso, J.G., Composition of the essential oil and micromorphology of trichomes of Teucrium salviastrum, an endemic species from Portugal, Flavour Fragr. J., 2002, 17, 4, 287-291, https://doi.org/10.1002/ffj.1068 . [all data]

Economakis, Skaltsa, et al., 2002
Economakis, C.; Skaltsa, H.; Demetzos, C.; Sokovic, M.; Thanos, C.A., Effect of phosphorus concentration of the nutrient solution on the volatile constituents of leaves and bracts of Origanum dictamnus, J. Agric. Food Chem., 2002, 50, 22, 6276-6280, https://doi.org/10.1021/jf0203444 . [all data]

Fokialakis, Magiatis, et al., 2002
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bin Jantan and bin Ahmad, 2002
bin Jantan, I.; bin Ahmad, F., Chemical constituents of the essential oils of Goniothalamus malayanus Hook. f. and Thoms., Flavour Fragr. J., 2002, 17, 5, 372-374, https://doi.org/10.1002/ffj.1107 . [all data]

Mondello, Zappia, et al., 2002
Mondello, L.; Zappia, G.; Cotroneo, A.; Bonaccorsi, I.; Chowdhury, J.U.; Yusuf, M.; Dugo, G., Studies on the essential oil-bearing plants of Bangladesh. Part VIII. Composition of some Ocimum oils O. basilicum L. var. purpurascens; O. sanctum L. green; O. sanctum L. purple; O. americanum L., citral type; O. americanum L., camphor type, Flavour Fragr. J., 2002, 17, 5, 335-340, https://doi.org/10.1002/ffj.1108 . [all data]

Pino, Marbot, et al., 2002
Pino, J.A.; Marbot, R.; Bello, A., Volatile compounds of Psidium salutare (H.B.K.) Berg. fruit, J. Agric. Food Chem., 2002, 50, 18, 5146-5148, https://doi.org/10.1021/jf0116303 . [all data]

Pino, Marbot, et al., 2002, 2
Pino, J.A.; Marbot, R.; Vázquez, C., Characterization of volatile in Cosa Rican Guava [Psidium friedrichsthalianum (Berg) Niedenzu] fruit, J. Agric. Food Chem., 2002, 50, 21, 6023-6026, https://doi.org/10.1021/jf011456i . [all data]

Pitarokili, Couladis, et al., 2002
Pitarokili, D.; Couladis, M.; Petsikos-Panayotarou, N.; Tzakou, O., Composition and antifungal activity on soil-borne pathogens of the essential oil of Salvia sclarea from Greece, J. Agric. Food Chem., 2002, 50, 23, 6688-6691, https://doi.org/10.1021/jf020422n . [all data]

Shang, Hu, et al., 2002
Shang, C.; Hu, Y.; Deng, C.; Hu, K., Rapid determination of volatile constituents of Michelia alba flowers by gas chromatography-mass spectrometry with solid-phase microextraction, J. Chromatogr. A, 2002, 942, 1-2, 283-288, https://doi.org/10.1016/S0021-9673(01)01382-6 . [all data]

Aligiannis, Kalpoutzakis, et al., 2001
Aligiannis, N.; Kalpoutzakis, E.; Chinou, I.B.; Mitaku, S.; Gikas, E.; Tsarbopoulos, A., Composition and antimicrobial activity of the essential oils of five taxa of Sideritis from Greece, J. Agric. Food Chem., 2001, 49, 2, 811-815, https://doi.org/10.1021/jf001018w . [all data]

Couladis, Tsortanidou, et al., 2001
Couladis, M.; Tsortanidou, V.; Francisco-Ortega, J.; Santos-Guerra, A.; Harvala, C., Composition of the essential oils of Argyranthemum species growing in the Canary Islands, Flavour Fragr. J., 2001, 16, 2, 103-106, https://doi.org/10.1002/ffj.954 . [all data]

Couladis, Tzakou, et al., 2001
Couladis, M.; Tzakou, O.; Stojanovic, D.; Mimica-Dukic, N.; Jancic, R., The essential oil composition of Salvia argentea L., Flavour Fragr. J., 2001, 16, 3, 227-229, https://doi.org/10.1002/ffj.989 . [all data]

Rezzi, Cavaleiro, et al., 2001
Rezzi, S.; Cavaleiro, C.; Bighelli, A.; Salgueiro, L.; da Cunha, A.P.; Casanova, J., Intraspecific chemical variability of the leaf essential oil of Juniperus phoenicea subsp. turbinata from Corsica, Biochem. Syst. Ecol., 2001, 29, 2, 179-188, https://doi.org/10.1016/S0305-1978(00)00044-2 . [all data]

Skaltsa, Mavrommati, et al., 2001
Skaltsa, H.D.; Mavrommati, A.; Constantinidis, T., A chemotaxonomic investigation of volatile constituents in Stachys subsect. Swainsonianeae (Labiatae), Phytochemistry, 2001, 57, 2, 235-244, https://doi.org/10.1016/S0031-9422(01)00003-6 . [all data]

Maia, de Paula, et al., 2000
Maia, B.H.L.N.S.; de Paula, J.R.; Sant'Ana, J.; da Silva, M.F.G.F.; Fernandes, J.B.; Vieira, P.C.; Costa, M.S.S.; Ohashi, O.S.; Silva, J.N.M., Essential oils of Toona and Cedrela species (Meliaceae): Taxonomic and ecological implications, J. Braz. Chem. Soc., 2000, 11, 6, 629-639, https://doi.org/10.1590/S0103-50532000000600012 . [all data]

Milos and Radonic, 2000
Milos, M.; Radonic, A., Gas chromatography mass spectral analysis of free and glycosidically bound volatile compounds from Juniperus oxycedrus L. growing wild in Croatia, Food Chem., 2000, 68, 3, 333-338, https://doi.org/10.1016/S0308-8146(99)00192-2 . [all data]

Pfeifhofer, 2000
Pfeifhofer, H.W., Composition of the essential oil of Pinus canariensis Sweet ex Sprengel, Flavour Fragr. J., 2000, 15, 4, 266-270, https://doi.org/10.1002/1099-1026(200007/08)15:4<266::AID-FFJ908>3.0.CO;2-E . [all data]

Song, Sawamura, et al., 2000
Song, H.S.; Sawamura, M.; Ito, T.; Kawashimo, K.; Ukeda, H., Quantitative determination of characteric flavour of Citrus junos (yuzu) peel oil, Flavour Fragr. J., 2000, 15, 4, 245-250, https://doi.org/10.1002/1099-1026(200007/08)15:4<245::AID-FFJ904>3.0.CO;2-V . [all data]

Verzera, Trozzi, et al., 2000
Verzera, A.; Trozzi, A.; Cotroneo, A.; Lorenzo, D.; Dellacassa, E., Uruguayan essential oil. 12. Composition of Nova and Satsuma mandarin oils, J. Agric. Food Chem., 2000, 48, 7, 2903-2909, https://doi.org/10.1021/jf990734z . [all data]

Zunino, Lopez, et al., 2000
Zunino, M.P.; Lopez, M.L.; Faillacik, S.M.; Lopez, A.G.; Espinar, L.A.; Zygadlo, J.A., Essential oil of Baccharis cordobensis Heering, Flavour Fragr. J., 2000, 15, 3, 151-152, https://doi.org/10.1002/1099-1026(200005/06)15:3<151::AID-FFJ884>3.0.CO;2-E . [all data]

Lazari, Skaltsa, et al., 1999
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Stashenko, Cervantes, et al., 1999
Stashenko, E.E.; Cervantes, M.; Combariza, Y.; Fuentes, H.; Martínez, J.R., HRGC/FID and HRGC/MSD analysis of the secondary metabolites obtained by different extraction methods from Lepechinia schiedeana, an in vitro evaluation of its antioxidant activity, J. Hi. Res. Chromatogr., 1999, 22, 6, 343-349, https://doi.org/10.1002/(SICI)1521-4168(19990601)22:6<343::AID-JHRC343>3.0.CO;2-J . [all data]

Sumathykutty, Rao, et al., 1999
Sumathykutty, M.A.; Rao, J.M.; Padmakumari, K.P.; Narayanan, C.S., Essential oil constituents of some Piper species, Flavour Fragr. J., 1999, 14, 5, 279-282, https://doi.org/10.1002/(SICI)1099-1026(199909/10)14:5<279::AID-FFJ821>3.0.CO;2-0 . [all data]

Weyerstahl, Marschall, et al., 1999
Weyerstahl, P.; Marschall, H.; Wahlburg, H.-C.; Christiansen, C.; Rustaiyan, A.; Mirdjalili, F., Constituents of the essential oil of Pulicaria gnaphalodes (Vent.) Boiss. from Iran, Flavour Fragr. J., 1999, 14, 2, 121-130, https://doi.org/10.1002/(SICI)1099-1026(199903/04)14:2<121::AID-FFJ790>3.0.CO;2-K . [all data]

Nogueira, Marsaioli, et al., 1998
Nogueira, P.C.L.; Marsaioli, A.J.; Amaral, M.C.E.; Bittrich, V., The fragrant floral oils of Tovomita species, Phytochemistry, 1998, 49, 4, 1009-1012, https://doi.org/10.1016/S0031-9422(97)01046-7 . [all data]

Oprean, Tamas, et al., 1998
Oprean, R.; Tamas, M.; Sandulescu, R.; Roman, L., Essential oils analysis. I. Evaluation of essential oils composition using both GC and MS fingerprints, J. Pharm. Biomed. Anal., 1998, 18, 4-5, 651-657, https://doi.org/10.1016/S0731-7085(98)00283-0 . [all data]

Sinyinda and Gramshaw, 1998
Sinyinda, S.; Gramshaw, J.W., Volatiles of avocado fruit, Food Chem., 1998, 62, 4, 483-487, https://doi.org/10.1016/S0308-8146(97)00190-8 . [all data]

Bicchi, Fresia, et al., 1997
Bicchi, C.; Fresia, M.; Rubiolo, P.; Monti, D.; Franz, C.; Goehler, I., Constituents of Tagetes lucida Cav. ssp. lucida essential oil, Flavour Fragr. J., 1997, 12, 1, 47-52, https://doi.org/10.1002/(SICI)1099-1026(199701)12:1<47::AID-FFJ610>3.0.CO;2-7 . [all data]

Mariotti, Costa, et al., 1997
Mariotti, J.P.; Costa, J.; Bianchini, A.; Bernardini, A.F.; Casanova, J., Composition and variability of the essential oil of Stachys glutinosa L. from Corsica (France), Flavour Fragr. J., 1997, 12, 3, 205-209, https://doi.org/10.1002/(SICI)1099-1026(199705)12:3<205::AID-FFJ636>3.0.CO;2-I . [all data]

Sagrero-Nieves, Bartley, et al., 1997
Sagrero-Nieves, L.; Bartley, J.P.; Griselda Espinosa, B.; Dominguez, X.A.; Julia Verde S., Essential oil composition of Aristolochia brevipes Benth., Flavour Fragr. J., 1997, 12, 6, 401-403, https://doi.org/10.1002/(SICI)1099-1026(199711/12)12:6<401::AID-FFJ673>3.0.CO;2-D . [all data]

Píry, Príbela, et al., 1995
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Stashenko, Wiame, et al., 1995
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Notes

Go To: Top, Van Den Dool and Kratz 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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