(-)-β-Bourbonene

Formula: C₁₅H₂₄
Molecular weight: 204.3511
IUPAC Standard InChI: InChI=1S/C15H24/c1-9(2)11-7-8-15(4)12-6-5-10(3)13(12)14(11)15/h9,11-14H,3,5-8H2,1-2,4H3/t11-,12?,13?,14?,15-/m1/s1
IUPAC Standard InChIKey: YIRAHEODBQONHI-XTLGRWLVSA-N
CAS Registry Number: 5208-59-3
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:
Other names: Cyclobuta[1,2:3,4]dicyclopentene, decahydro-3a-methyl-6-methylene-1-(1-methylethyl)-, [1S-(1α,3aα,3bβ,6aβ,6bα)]-; β-Bourbonene; Cyclobuta[1,2:3,4]dicyclopentene, 1,2,3,3a,3bβ,4,5,6,6aβ,6bα-decahydro-1α-isopropyl-3aα-methyl-6-methylene-; Cyclobuta[1,2:3,4]dicyclopentene, decahydro-3a-methyl-6-methylene-1-(1-methylethyl)-, (1α,3aα,3bβ,6aβ,6bα)-; [1S-[1α,3aα,3bβ,6aβ,6bα]]-Cyclobuta[1,2:3,4]dicyclopentene-decahydro-3a-methyl-6-methylene-1-[1-methylethyl]; (1S,3aS,3bR,6aS,6bR)-1-Isopropyl-3a-methyl-6-methylenedecahydrocyclobuta[1,2:3,4]di[5]annulene; β-bourbenene; Cyclobuta[1,2:3,4]dicyclopentene, decahydro-3a-methyl-6-methylene-1-(1-methylethyl)-, (1S,3aS,3bR,6aS,6bR)-; beta-bourbonene
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Information on this page:
Other data available:
- Mass spectrum (electron ionization)
- Gas Chromatography
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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	HP-5	CP-Sil PONA GB	HP-5	DB-5	BP-1
Column length (m)	30.	100.	25.	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)	40.	140.	60.	60.	60.
T_end (C)	250.	230.	240.	240.	220.
Heat rate (K/min)	5.	5.	4.	3.	2.
Initial hold (min)	1.	10.	2.
Final hold (min)	10.	25.			20.
I	1387.	1408.	1391.	1385.	1386.
Reference	Benzo, Gilardoni, et al., 2007	Cunicao, Lopes, et al., 2007	Dehghan, Solaimanian, et al., 2007	Flamini, Cioni, et al., 2007	Lesueur, de Rocca Serra, 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	DB-5	DB-5	RTX-1	HP-101
Column length (m)	30.	30.	30.	60.	25.
Carrier gas	He	He		He	He
Substrate
Column diameter (mm)	0.25	0.25	0.22	0.22	0.2
Phase thickness (μm)	0.25	0.25	0.25	0.25	0.2
T_start (C)	60.	60.	60.	60.	70.
T_end (C)	240.	240.	240.	230.	200.
Heat rate (K/min)	3.	3.	3.	2.	3.
Initial hold (min)			2.		2.
Final hold (min)				35.	15.
I	1384.	1384.	1386.	1388.	1354.
Reference	Maccioni, Baldini, et al., 2007	Maccioni, Baldini, et al., 2007	Martins, Santos, et al., 2007	Paolini J., Costa J., et al., 2007	Politeo, Jukic, et al., 2007
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-1	DB-5
Column length (m)	30.	30.	30.	60.	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)	50.	60.	60.	60.	60.
T_end (C)	250.	280.	280.	250.	240.
Heat rate (K/min)	5.	4.	4.	5.	3.
Initial hold (min)	3.	5.	5.
Final hold (min)	15.			10.
I	1374.	1382.	1382.	1392.	1384.
Reference	Radulovic, Lazarevic, et al., 2007	Radulovic, Lazarevic, et al., 2007	Saroglou, Marin, et al., 2007	Sonboli, Azizian, et al., 2007	Telascrea, de Araujo, 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	HP-5MS	SPB-1	DB-5	DB-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	0.2	0.25
Phase thickness (μm)	0.25	0.25	0.25	0.25	0.25
T_start (C)	60.	60.	50.	50.	60.
T_end (C)	280.	280.	250.	250.	240.
Heat rate (K/min)	3.	3.	5.	5.	3.
Initial hold (min)			3.	3.
Final hold (min)			15.	15.
I	1381.	1361.	1374.	1384.	1384.
Reference	Vagionas, Ngassapa, et al., 2007	Basta, Tzakou, et al., 2006	Blagojevic, Radulovic, et al., 2006	Blagojevic, Radulovic, et al., 2006	Block, Flamini, 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	DB-5	HP-5	HP-5	DB-1
Column length (m)	30.	30.	30.	30.	30.
Carrier gas	He	N2	N2	He	N2
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	0.25
T_start (C)	60.	60.	60.	60.	50.
T_end (C)	280.	240.	220.	260.	220.
Heat rate (K/min)	3.	3.	5.	3.	4.
Initial hold (min)		3.	10.
Final hold (min)		5.
I	1380.	1384.	1385.	1388.	1383.
Reference	Chorianopoulos N., Evergets E., et al., 2006	Dob, Dahmane, et al., 2006	Flamini, Tebano, et al., 2006	Javidnia, Miri, et al., 2006	Kuiate, Bessière, 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	DB-5	HP-5MS	DB-5	SPB-1
Column length (m)	30.	50.	30.	30.	30.
Carrier gas	He	N2	He	He	He
Substrate
Column diameter (mm)	0.25	0.2	0.25	0.32	0.2
Phase thickness (μm)	0.25	0.32	0.25	0.25	0.2
T_start (C)	60.	60.	60.	60.	70.
T_end (C)	280.	220.	280.	280.	220.
Heat rate (K/min)	3.	5.	3.	3.	3.
Initial hold (min)		3.
Final hold (min)		5.			15.
I	1387.	1384.	1358.	1375.	1376.
Reference	Kukic J., Petrovic S., et al., 2006	Masoudi, Esmaeili, et al., 2006	Pavlovic, Kovacevic, et al., 2006	Pavlovic, Tzakou, et al., 2006	Pinto, Pina-Vaz, 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	SPB-1	SPB-1	HP-5MS	HP-5MS
Column length (m)	30.	30.	30.	30.	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)	50.	50.	70.	60.	60.
T_end (C)	250.	250.	220.	280.	300.
Heat rate (K/min)	5.	5.	3.	4.	3.
Initial hold (min)	3.	3.		5.
Final hold (min)	15.	15.	15.
I	1374.	1375.	1376.	1381.	1380.
Reference	Radulovic, Lazarevic, et al., 2006	Radulovic, Mananjarasoa, et al., 2006	Salgueiro L.R., Pinto E., et al., 2006	Saroglou, Dorizas, et al., 2006	Silva-Brandão, Solferini, 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-5	SPB-1	DB-5
Column length (m)	30.	30.	30.	30.	30.
Carrier gas	He	H2	He	He	He
Substrate
Column diameter (mm)	0.25	0.25	0.25	0.25	0.2
Phase thickness (μm)	0.25	0.25	0.25	0.25	0.25
T_start (C)	50.	50.	40.	50.	50.
T_end (C)	250.	285.	300.	250.	250.
Heat rate (K/min)	5.	4.3	4.	5.	5.
Initial hold (min)	2.		5.	3.	3.
Final hold (min)				15.	15.
I	1388.	1378.	1382.	1376.	1386.
Reference	Su, Ho, et al., 2006	Vujisic L., Vuckovic I., et al., 2006	Vundac, Pfeifhofer, et al., 2006	Boskovic, Radulovic, et al., 2005	Boskovic, Radulovic, et al., 2005
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	SE-54	HP-5	DB-1	DB-1	DB-1
Column length (m)	50.	30.	30.	30.	30.
Carrier gas	H2	N2	N2		He
Substrate
Column diameter (mm)	0.25	0.25	0.32	0.32	0.25
Phase thickness (μm)	0.27	0.25	0.25	0.25	0.25
T_start (C)	50.	60.	50.	50.	40.
T_end (C)	300.	220.	260.	250.	250.
Heat rate (K/min)	5.	5.	2.	2.	3.
Initial hold (min)		10.	3.	8.
Final hold (min)			5.		20.
I	1388.	1384.	1376.	1376.	1362.
Reference	Brantner, Pfeifhofer, et al., 2005	Celik, Gokturk, et al., 2005	Dob, Berramdane, et al., 2005	Dob, Dahmane, 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	DB-1	CP Sil 5 CB	DB-1
Column length (m)	30.	30.	30.	50.	25.
Carrier gas	N2	N2	He	H2
Substrate
Column diameter (mm)	0.25	0.25	0.25	0.22	0.25
Phase thickness (μm)	0.25	0.25	0.25	0.13	0.25
T_start (C)	60.	60.	40.	40.	60.
T_end (C)	220.	220.	250.	300.	180.
Heat rate (K/min)	5.	5.	3.	4.	3.
Initial hold (min)	10.	10.			10.
Final hold (min)			20.	10.	10.
I	1384.	1386.	1362.	1375.	1377.
Reference	Flamini, Luigi Cioni, et al., 2005	Flamini, Luigi Cioni, et al., 2005, 2	Gancel, Ollitrault, et al., 2005	Idzojtic, Kajba, et al., 2005	bin Jantan, Yalvema, 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	SE-54	DB-1
Column length (m)	30.	30.	60.	25.	30.
Carrier gas	He	He	He	H2	N2
Substrate
Column diameter (mm)	0.25	0.25	0.22	0.25	0.25
Phase thickness (μm)	0.25		0.25	0.2	0.25
T_start (C)	60.	60.	60.	50.	50.
T_end (C)	260.	260.	230.	250.	200.
Heat rate (K/min)	3.	3.	2.	4.	5.
Initial hold (min)
Final hold (min)			35.
I	1384.	1384.	1388.	1384.	1386.
Reference	Javidnia, Miri, et al., 2005	Javidnia, Miri, et al., 2005, 2	Paolini, Costa, et al., 2005	Simionatto, Porto, et al., 2005	Tchoumbougnang, Zollo, et al., 2005
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	BP-1	HP-5MS	HP-5MS	HP-5MS	HP-5MS
Column length (m)	50.	30.	30.	30.	30.
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.	80.	80.	80.	60.
T_end (C)	230.	290.	290.	290.	280.
Heat rate (K/min)	2.	2.	4.	6.	3.
Initial hold (min)
Final hold (min)	35.
I	1385.	1382.7	1389.	1394.5	1380.
Reference	Vellutini, Baldovini, et al., 2005	Zhao, Liang, et al., 2005	Zhao, Liang, et al., 2005	Zhao, Liang, et al., 2005	Aligiannis, Kalpoutzakis, et al., 2004
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	SPB-1	HP-5	SPB-1	HP-5	HP-5MS
Column length (m)	30.	30.	30.	30.	30.
Carrier gas	He	N2	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)	70.	60.	70.	60.	60.
T_end (C)	220.	220.	220.	220.	280.
Heat rate (K/min)	3.	5.	3.	5.	3.
Initial hold (min)		10.		10.
Final hold (min)	15.		15.
I	1376.	1386.	1375.	1385.	1380.
Reference	Antunes, Sevinate-Pinto, et al., 2004	Bertoli, Menichini, et al., 2004	Cavaleiro, Salgueiro, et al., 2004	Ceccarini, Macchia, et al., 2004	Chorianopoulos, Kalpoutzakis, 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	DB-5	HP-5	HP-5MS	HP-5
Column length (m)	30.	30.	30.	30.	30.
Carrier gas	He	N2	N2	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.	60.	60.	60.	40.
T_end (C)	240.	240.	220.	280.	250.
Heat rate (K/min)	3.	3.	5.	4.	3.
Initial hold (min)			10.	5.
Final hold (min)
I	1385.	1383.	1385.	1387.	1382.
Reference	Flamini, Bader, et al., 2004	Flamini, Cioni, et al., 2004	Flamini, Luigi Cioni, et al., 2004	Grujic-Jovanovic, Skaltsa, et al., 2004	Isidorov, Krajewska, 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	SPB-1	SPB-1	RSL-200
Column length (m)	30.	30.	30.	30.	30.
Carrier gas	He	He	He	He	H2
Substrate
Column diameter (mm)	0.25	0.25	0.2	0.2	0.32
Phase thickness (μm)	0.25		0.2	0.2	0.25
T_start (C)	60.	60.	70.	70.	40.
T_end (C)	260.	260.	220.	220.	280.
Heat rate (K/min)	3.	3.	3.	3.	6.
Initial hold (min)					5.
Final hold (min)			15.	15.	5.
I	1383.	1384.	1376.	1376.	1397.
Reference	Javidnia, Miri, et al., 2004	Javidnia, Miri, et al., 2004, 2	Moldão-Martins, Beirão-da-Costa, et al., 2004	Moldão-Martins, Beirão-da-Costa, et al., 2004	Ngassoum, Ousmaila, et al., 2004
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	Methyl Silicone	HP-5	HP-5	HP-5MS	DB-5MS
Column length (m)	50.	25.	50.	30.	30.
Carrier gas	He	He	He	He	He
Substrate
Column diameter (mm)	0.25	0.2	0.2	0.25	0.25
Phase thickness (μm)		0.33	0.2	0.25	0.25
T_start (C)	50.	60.	35.	60.	40.
T_end (C)	240.	240.	250.	280.	200.
Heat rate (K/min)	3.	3.	3.	3.	4.
Initial hold (min)			15.		5.
Final hold (min)		7.	40.		20.
I	1386.	1385.	1384.	1364.	1388.
Reference	Özcan and Chalchat, 2004	Sartoratto, Machado, et al., 2004	Stashenko, Jaramillo, et al., 2004	Tzakou, Vagias, 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-5	DB-5	DB-1	HP-5	HP-5
Column length (m)	25.	30.	30.	30.	30.
Carrier gas	N2	He	N2	N2	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)	75.	60.	50.	60.	60.
T_end (C)	210.	240.	200.	220.	220.
Heat rate (K/min)	3.	3.	5.	5.	5.
Initial hold (min)	10.			10.	10.
Final hold (min)	1.	30.	0.
I	1380.	1385.	1386.	1386.	1384.
Reference	bin Ahmad and bin Jantan, 2003	Bader, Caponi, et al., 2003	Boyom, Assembe, et al., 2003	Dural, Bagci, et al., 2003	Ertugrul, Dural, 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	DB-1	HP-5	HP-5	HP-5
Column length (m)	30.	30.	30.	30.	30.
Carrier gas	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
T_start (C)	40.	40.	25.	60.	60.
T_end (C)	250.	250.	150.	280.	240.
Heat rate (K/min)	2.	3.	3.	4.	3.
Initial hold (min)	5.		5.	5.
Final hold (min)	20.	20.
I	1368.	1362.	1384.	1380.	1385.
Reference	de Feo, Bruno, et al., 2003	Gancel, Ollitrault, et al., 2003	Isidorov, Vinogorova, et al., 2003	Karioti, Skaltsa, et al., 2003	Macchioni, Cioni, 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	SPB-1
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	0.20
Phase thickness (μm)	0.25	0.25	0.25	0.25	0.20
T_start (C)	60.	40.	60.	60.	70.
T_end (C)	280.	240.	280.	280.	220.
Heat rate (K/min)	3.	3.	4.	3.	3.
Initial hold (min)			5.
Final hold (min)					15.
I	1384.	1385.	1382.	1383.	1375.
Reference	Ngassapa, Runyoro, et al., 2003	Shellie and Marriott, 2003	Skaltsa, Demetzos, et al., 2003	Tzakou, Couladis, et al., 2003	Cavaleiro, Salgueiro, et al., 2002
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	RTX-5 MS	DB-1	DB-5	DB-5	HP-1
Column length (m)	30.	25.	25.	25.	24.
Carrier gas	He	N2	He	He	He
Substrate
Column diameter (mm)	0.25	0.25	0.25	0.25	0.32
Phase thickness (μm)	0.25				0.17
T_start (C)	45.	60.	70.	70.	60.
T_end (C)	180.	180.	275.	260.	250.
Heat rate (K/min)	2.5	3.	4.	4.	4.
Initial hold (min)	10.	10.			2.
Final hold (min)		10.			20.
I	1386.	1380.	1384.	1384.	1377.
Reference	Hudaib, Speroni, et al., 2002	bin Jantan and bin Ahmad, 2002	Javidnia, Miri, et al., 2002	Miri, Ramezani, et al., 2002	Nath, Sarma, 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	RTX-5	RTX-5	HP-5	HP-1
Column length (m)	50.	30.	30.	30.	60.
Carrier gas	He	He	He	He	He
Substrate
Column diameter (mm)	0.32	0.25	0.25	0.25	0.25
Phase thickness (μm)	0.4	0.25	0.25	0.25	0.25
T_start (C)	60.	45.	45.	60.	50.
T_end (C)	280.	250.	250.	280.	250.
Heat rate (K/min)	3.	3.	3.	3.	2.5
Initial hold (min)	10.	6.	6.	5.	5.
Final hold (min)	60.
I	1381.	1384.	1394.	1384.	1400.
Reference	Pino, Marbot, et al., 2002	Shellie, Mondello, et al., 2002	Shellie, Mondello, et al., 2002	Aligiannis, Kalpoutzakis, et al., 2001	Guilliard, Delgado, 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	RTX-5 MS	BP-1	HP-5MS	HP-5
Column length (m)	50.	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	0.25	0.25	0.25	0.25
T_start (C)	50.	70.	60.	60.	40.
T_end (C)	250.	210.	220.	280.	200.
Heat rate (K/min)	2.5	4.	2.	4.	2.
Initial hold (min)	5.	10.		5.	5.
Final hold (min)		10.	20.		20.
I	1384.	1385.	1386.	1382.	1378.
Reference	Guilliard, Delgado, et al., 2001	Hudaib, Grazia Bellardi, et al., 2001	Rezzi, Cavaleiro, et al., 2001	Skaltsa, Mavrommati, et al., 2001	Kim, Thuy, 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	DB-5	DB-5	HP-101	CP Sil 5 CB
Column length (m)	30.	30.	30.	25.	50.
Carrier gas	He	He	He	He	H2
Substrate
Column diameter (mm)	0.25	0.25	0.25	0.2	0.22
Phase thickness (μm)	0.25	0.25	0.25	0.2	0.13
T_start (C)	60.	60.	60.	70.	40.
T_end (C)	240.	240.	240.	200.	300.
Heat rate (K/min)	3.	3.	3.	3.	4.
Initial hold (min)	2.	2.	2.	2.
Final hold (min)				10.	10.
I	1383.	1383.	1384.	1369.	1391.
Reference	Maia, de Paula, et al., 2000	Maia, de Paula, et al., 2000	Maia, de Paula, et al., 2000	Milos and Radonic, 2000	Pfeifhofer, 2000
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	HP-5	HP-5	DB-1	DB-1	Methyl Silicone
Column length (m)	30.	30.	60.	30.	50.
Carrier gas	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	0.17
T_start (C)	50.	50.	50.	50.	80.
T_end (C)	280.	280.	220.	220.	200.
Heat rate (K/min)	4.	4.	4.	3.	2.
Initial hold (min)	5.	5.		3.
Final hold (min)
I	1384.	1384.	1390.	1369.	1405.
Reference	Skaltsa, Lazari, et al., 2000	Lazari, Skaltsa, et al., 1999	Mirza and Sefidkon, 1999	Muselli, Hoi, et al., 1999	Sumathykutty, Rao, et al., 1999
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary
Active phase	OV-1	DB-5	HP-101	CP Sil 5 CB
Column length (m)	25.	30.	50.	25.
Carrier gas		He	N2	N2
Substrate
Column diameter (mm)	0.25	0.26	0.25	0.22
Phase thickness (μm)	0.3	0.25
T_start (C)	50.	50.	70.	70.
T_end (C)	200.	225.	200.	295.
Heat rate (K/min)	3.	2.	3.	4.
Initial hold (min)	1.
Final hold (min)	20.	20.
I	1365.	1378.	1400.	1391.
Reference	Bicchi, Rubiolo, et al., 1998	Sagrero-Nieves, Bartley, et al., 1997	Chung, Eiserich, et al., 1993	Montanarella, Bos, et al., 1986
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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Flamini, Luigi Cioni, et al., 2005, 2
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bin Jantan, Yalvema, et al., 2005
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Javidnia, Miri, et al., 2005
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Javidnia, Miri, et al., 2005, 2
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Paolini, Costa, et al., 2005
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Simionatto, Porto, et al., 2005
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Vellutini, Baldovini, et al., 2005
Vellutini, M.; Baldovini, N.; de Rocca Serra, D. Tomi; Casanova, J., β-Cyclolavandulyl and β-isocyclolavandulyl esters from Peucedanum paniculatum L., an endemic species to Corsica, Phytochemistry, 2005, 66, 16, 1956-1962, https://doi.org/10.1016/j.phytochem.2005.07.001 . [all data]

Zhao, Liang, et al., 2005
Zhao, C.-X.; Liang, Y.-Z.; Fang, H.-Z.; Li, X.-N., Temperature-programmed retention indices for gas chromatography-mass spectroscopy analysis of plant essential oils, J. Chromatogr. A, 2005, 1096, 1-2, 76-85, https://doi.org/10.1016/j.chroma.2005.09.067 . [all data]

Aligiannis, Kalpoutzakis, et al., 2004
Aligiannis, N.; Kalpoutzakis, E.; Kyriakopoulou, I.; Mitaku, S.; Chinou, I.B., Essential oils of Phlomis species growing in Greece: chemical composition and antimicrobial activity, Flavour Fragr. J., 2004, 19, 4, 320-324, https://doi.org/10.1002/ffj.1305 . [all data]

Antunes, Sevinate-Pinto, et al., 2004
Antunes, T.; Sevinate-Pinto, I.; Barroso, J.G.; Cavaleiro, C.; Salgueiro, L.R., Micromorphology of trichomes and composition of essential oil of Teucrium capitatum, Flavour Fragr. J., 2004, 19, 4, 336-340, https://doi.org/10.1002/ffj.1310 . [all data]

Bertoli, Menichini, et al., 2004
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Cavaleiro, Salgueiro, et al., 2004
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Ceccarini, Macchia, et al., 2004
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Chorianopoulos, Kalpoutzakis, et al., 2004
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Flamini, Bader, et al., 2004
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Flamini, Cioni, et al., 2004
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Flamini, Luigi Cioni, et al., 2004
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Grujic-Jovanovic, Skaltsa, et al., 2004
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Javidnia, Miri, et al., 2004, 2
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Ngassoum, Ousmaila, et al., 2004
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Özcan and Chalchat, 2004
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Sartoratto, Machado, et al., 2004
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Stashenko, Jaramillo, et al., 2004
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Yu, Kim, et al., 2004
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bin Ahmad and bin Jantan, 2003
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Bader, Caponi, et al., 2003
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Boyom, Assembe, et al., 2003
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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]

Ertugrul, Dural, et al., 2003
Ertugrul, K.; Dural, H.; Tugay, O.; Flamini, G.; Cioni, P.L.; Morelli, I., Essential oils from flowers of Centaurea kotschyi var. kotschyi and C. kotschyi var. decumbens from Turkey, Flavour Fragr. J., 2003, 18, 2, 95-97, https://doi.org/10.1002/ffj.1168 . [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]

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
Macchioni, F.; Cioni, P.L.; Flamini, G.; Morelli, I.; Maccioni, S.; Ansaldi, M., Chemical composition of essential oils from needles, branches and cones of Pinus pinea, P. halepensis, P. pinaster and P. nigra from central Italy, Flavour Fragr. J., 2003, 18, 2, 139-143, https://doi.org/10.1002/ffj.1178 . [all data]

Ngassapa, Runyoro, et al., 2003
Ngassapa, O.; Runyoro, D.K.B.; Harvala, E.; Chinou, I.B., Composition and antimicrobial activity of essential oils of two populations of Tanzanian Lippia javanica (Burm. f.) Spreng. (Verbenaceae), Flavour Fragr. J., 2003, 18, 3, 221-224, https://doi.org/10.1002/ffj.1195 . [all data]

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
Skaltsa, H.D.; Demetzos, C.; Lazari, D.; Sokovic, M., Essential oil analysis and antimicrobial activity of eight Stachys species from Greece, Phytochemistry, 2003, 64, 3, 743-752, https://doi.org/10.1016/S0031-9422(03)00386-8 . [all data]

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]

Hudaib, Speroni, et al., 2002
Hudaib, M.; Speroni, E.; di Pietra, A.M.; Cavrini, V., GC/MS evaluation of thyme (Thymus vulgaris L.) oil composition and variations during the vegetative cycle, J. Pharm. Biomed. Anal., 2002, 29, 4, 691-700, https://doi.org/10.1016/S0731-7085(02)00119-X . [all data]

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]

Javidnia, Miri, et al., 2002
Javidnia, K.; Miri, R.; Safavi, F.; Azarpira, A.; Shafiee, A., Composition of the essential oil of Nepeta persica Boiss from Iran, Flavour Fragr. J., 2002, 17, 1, 20-22, https://doi.org/10.1002/ffj.1023 . [all data]

Miri, Ramezani, et al., 2002
Miri, R.; Ramezani, M.; Javidnia, K.; Ahmadi, L., Composition of the volatile oil of Thymus transcaspicus Klokov from Iran, Flavour Fragr. J., 2002, 17, 4, 245-246, https://doi.org/10.1002/ffj.1104 . [all data]

Nath, Sarma, et al., 2002
Nath, S.C.; Sarma, K.K.; Vajezikova, I.; Leclercq, P.A., Comparison of volatile inflorescence oils and taxonomy of certain Cymbopogon taxa described as Cymbopogon flexuosus (Nees ex Steud.) Wats., Biochem. Syst. Ecol., 2002, 30, 2, 151-162, https://doi.org/10.1016/S0305-1978(01)00066-7 . [all data]

Pino, Marbot, et al., 2002
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]

Shellie, Mondello, et al., 2002
Shellie, R.; Mondello, L.; Marriott, P.; Dugo, G., Characterisation of lavender essential oils by using gas chromatography-mass spectrometry with correlation of linear retention indices and comparison with comprehensive two-dimensional gas chromatography, J. Chromatogr. A, 2002, 970, 1-2, 225-234, https://doi.org/10.1016/S0021-9673(02)00653-2 . [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]

Guilliard, Delgado, et al., 2001
Guilliard, M.; Delgado, W.; Martínez, J.R.; Stashenko, E., Determination of the enantiomeric purity of carvone, main component of Colombian Lippia alba (Mill) oil by means of bidimensional gas chromatography (23rd International Symposium on Capillary Chromatography), 2001, retrieved from http://www.richrom.com/assets/CD23PDF/i01.pdf. [all data]

Hudaib, Grazia Bellardi, et al., 2001
Hudaib, M.; Grazia Bellardi, M.; Rubies-Autonell, C.; Fiori, J.; Cavrini, V., Chromatographic (GC-MS, HPLC) and virological evaluations of Salvia sclarea infected by BBWV-I, Farmaco, 2001, 56, 3, 219-227, https://doi.org/10.1016/S0014-827X(01)01038-2 . [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]

Kim, Thuy, et al., 2000
Kim, T.H.; Thuy, N.T.; Shin, J.H.; Baek, H.H.; Lee, H.J., Aroma-active compounds of miniature beefsteakplant (Mosla dianthera Maxim.), J. Agric. Food Chem., 2000, 48, 7, 2877-2881, https://doi.org/10.1021/jf000219x . [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]

Skaltsa, Lazari, et al., 2000
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Lazari, Skaltsa, et al., 1999
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Mirza and Sefidkon, 1999
Mirza, M.; Sefidkon, F., Essential oil composition of two Salvia species from Iran, Salvia nemorosa L. and Salvia reuterana Boiss., Flavour Fragr. J., 1999, 14, 4, 230-232, https://doi.org/10.1002/(SICI)1099-1026(199907/08)14:4<230::AID-FFJ816>3.0.CO;2-L . [all data]

Muselli, Hoi, et al., 1999
Muselli, A.; Hoi, T.M.; Cu, L.D.; Moi, L.D.; Bessière, J.-M.; Bighelli, A.; Casanova, J., Composition of the essential oil of Acanthopanax trifoliatus (L.) Merr. (Araliacaea) from Vietnam, Flavour Fragr. J., 1999, 14, 1, 41-44, https://doi.org/10.1002/(SICI)1099-1026(199901/02)14:1<41::AID-FFJ781>3.0.CO;2-B . [all data]

Sumathykutty, Rao, et al., 1999
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Bicchi, Rubiolo, et al., 1998
Bicchi, C.; Rubiolo, P.; Marschall, H.; Weyerstahl, P.; Laurent, R., Constituents of Artemisia roxburghiana Besser essential oil, Flavour Fragr. J., 1998, 13, 1, 40-46, https://doi.org/10.1002/(SICI)1099-1026(199801/02)13:1<40::AID-FFJ688>3.0.CO;2-Z . [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]

Chung, Eiserich, et al., 1993
Chung, T.Y.; Eiserich, J.P.; Shibamoto, T., Volatile compounds isolated from edible Korean chamchwi (Aster scaber Thunb), J. Agric. Food Chem., 1993, 41, 10, 1693-1697, https://doi.org/10.1021/jf00034a033 . [all data]

Montanarella, Bos, et al., 1986
Montanarella, L.; Bos, R.; Fischer, F.C., The Essential Oil in Lamina and Petiole of Heracleum dissectum Leaves, Planta Medica, 1986, 52, 04, 332-334, https://doi.org/10.1055/s-2007-969171 . [all data]

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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