β-Bisabolene

Formula: C₁₅H₂₄
Molecular weight: 204.3511
IUPAC Standard InChI: InChI=1S/C15H24/c1-12(2)6-5-7-14(4)15-10-8-13(3)9-11-15/h6,8,15H,4-5,7,9-11H2,1-3H3/t15-/m0/s1
IUPAC Standard InChIKey: XZRVRYFILCSYSP-HNNXBMFYSA-N
CAS Registry Number: 495-61-4
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:
- (E)- β-Bisabolene
- Bisabolene
Other names: Cyclohexene, 1-methyl-4-(5-methyl-1-methylene-4-hexenyl)-, (S)-; 1,5-Heptadiene, 6-methyl-2-(4-methyl-3-cyclohexen-1-yl)-, (S)-(-)-; l-β-Bisabolene; (+,-)-β-Bisabolene; 1-Methyl-4-(5-methyl-1-methylene-4-hexenyl)-1-cyclohexene-, (4S)-; beta-Bisabolene; (-)-β-bisabolene; 1-Methyl-4-(5-methyl-1-methylene-4-hexenyl)-(S)-cyclohexene; (S)-1-Methyl-4-(6-methylhepta-1,5-dien-2-yl)cyclohex-1-ene; Cyclohexene, 1-methyl-4-(5-methyl-1-methylene-4-hexen-1-yl)-, (4S)-
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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	RTX-1	Equity-5MS	HP-5MS	BP-1	DB-5
Column length (m)	60.	30.	30.	50.	30.
Carrier gas	He	He	He	He	He
Substrate
Column diameter (mm)	0.22	0.25	0.25	0.22	0.25
Phase thickness (μm)	0.25	0.25	0.25	0.25	0.25
T_start (C)	60.	50.	60.	60.	60.
T_end (C)	230.	250.	250.	220.	240.
Heat rate (K/min)	2.	3.	2.	2.	3.
Initial hold (min)			8.
Final hold (min)	30.	10.	30.	20.
I	1500.	1508.	1505.	1500.	1509.
Reference	Bendahou, Muselli, et al., 2008	Belsito E.L., Carbone C., et al., 2007	Benkaci-Ali, Baaliouamer, et al., 2007	Duquesnoy, Castola, et al., 2007	Flamini, Cioni, 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	HP-5	HP-5MS	DB-5	RTX-1
Column length (m)	30.	30.	30.	30.	60.
Carrier gas	N2	N2	He		He
Substrate
Column diameter (mm)	0.25	0.25	0.25	0.22	0.22
Phase thickness (μm)	0.25	0.25	0.25	0.25	0.25
T_start (C)	50.	60.	60.	60.	60.
T_end (C)	220.	220.	280.	240.	230.
Heat rate (K/min)	5.	5.	3.	3.	2.
Initial hold (min)	10.	10.		2.
Final hold (min)					35.
I	1509.	1509.	1506.	1511.	1500.
Reference	Flamini, Tebano, et al., 2007	Flamini, Tebano, et al., 2007, 2	Kundakovic, Fokialakis, et al., 2007	Martins, Santos, 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	DB-5	DB-1	DB-5
Column length (m)	60.	30.	30.	60.	30.
Carrier gas	He	He	He	N2	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.	60.	60.	60.
T_end (C)	230.	250.	260.	250.	240.
Heat rate (K/min)	2.	4.	5.	5.	3.
Initial hold (min)		4.
Final hold (min)	35.	10.		10.
I	1500.	1509.	1513.	1507.	1509.
Reference	Paolini, Muselli, et al., 2007	Quijano, Salamanca, et al., 2007	Sabulal, Dan, 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	DB-5	RTX-1	HP-5MS	BP-1
Column length (m)	30.	30.	60.	30.	50.
Carrier gas	He	He	He	He	He
Substrate
Column diameter (mm)	0.25	0.2	0.22	0.25	0.22
Phase thickness (μm)	0.25	0.25	0.25	0.25	0.25
T_start (C)	60.	50.	60.	60.	60.
T_end (C)	280.	250.	230.	280.	220.
Heat rate (K/min)	3.	5.	2.	3.	2.
Initial hold (min)		3.
Final hold (min)		15.	45.		20.
I	1507.	1496.	1502.	1508.	1507.
Reference	Vagionas, Ngassapa, et al., 2007	Blagojevic, Radulovic, et al., 2006	Cavalli, Tomi, et al., 2006	Chorianopoulos N., Evergets E., et al., 2006	Duquesnoy, Dinh, 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	BP-1	HP-5	DB-1	HP-5MS
Column length (m)	30.	50.	30.	30.	30.
Carrier gas	N2	He	He	N2	He
Substrate
Column diameter (mm)	0.25	0.22	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.	50.	60.
T_end (C)	220.	220.	250.	220.	280.
Heat rate (K/min)	5.	2.	3.	4.	3.
Initial hold (min)	10.
Final hold (min)		20.
I	1508.	1501.	1508.	1505.	1505.
Reference	Flamini, Tebano, et al., 2006	Gonny, Cavaleiro, et al., 2006	Javidnia, Miri, et al., 2006	Kuiate, Bessière, et al., 2006	Kukic J., Petrovic S., 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	OV-1	SPB-1	HP-5MS	HP-5MS
Column length (m)	30.	25.	30.	30.	30.
Carrier gas	He	He	He	He	He
Substrate
Column diameter (mm)	0.2	0.25	0.2	0.25	0.25
Phase thickness (μm)	0.2	0.25	0.2	0.25	0.25
T_start (C)	70.	50.	70.	60.	60.
T_end (C)	220.	220.	220.	280.	300.
Heat rate (K/min)	3.	3.	3.	4.	3.
Initial hold (min)		1.		5.
Final hold (min)	15.	5.	15.
I	1495.	1509.	1495.	1499.	1508.
Reference	Pinto, Pina-Vaz, et al., 2006	Rubiolo P., Matteodo M., 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-5	CP Sil 5 CB	BP-1	HP-5
Column length (m)	30.	30.	25.	50.	30.
Carrier gas	He	He	H2	He	N2
Substrate
Column diameter (mm)	0.25	0.25	0.25	0.22	0.25
Phase thickness (μm)	0.25	0.25		0.25	0.25
T_start (C)	50.	40.	80.	60.	60.
T_end (C)	250.	300.	270.	220.	220.
Heat rate (K/min)	5.	4.	10.	2.	5.
Initial hold (min)	2.	5.			10.
Final hold (min)				20.
I	1506.	1506.	1503.	1500.	1509.
Reference	Su, Ho, et al., 2006	Vundac, Pfeifhofer, et al., 2006	Ziegenbein, Hanssen, et al., 2006	Boti J.B., Koukoua G., et al., 2005	Celik, Gokturk, 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	DB-1	DB-1	DB-1	BP-1
Column length (m)	30.	30.	30.	30.	50.
Carrier gas	N2	N2	N2	N2	He
Substrate
Column diameter (mm)	0.25	0.32	0.32	0.32	0.22
Phase thickness (μm)	0.25	0.25	0.25	0.25	0.25
T_start (C)	60.	50.	50.	50.	60.
T_end (C)	220.	260.	260.	260.	220.
Heat rate (K/min)	5.	2.	2.	2.	2.
Initial hold (min)	10.	3.	3.	3.
Final hold (min)		5.	5.	5.	20.
I	1506.	1492.	1509.	1492.	1500.
Reference	Cioni, Flamini, et al., 2005	Dob, Berramdane, et al., 2005	Dob, Berramdane, et al., 2005, 2	Dob T., Berramdane T., et al., 2005	Ferrari, Tomi, 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	DB-1	RTX-1
Column length (m)	30.	30.	25.	30.	60.
Carrier gas	N2	N2		N2	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.	50.	60.
T_end (C)	220.	220.	180.	200.	230.
Heat rate (K/min)	5.	5.	3.	5.	2.
Initial hold (min)	10.	10.	10.
Final hold (min)			10.		35.
I	1509.	1507.	1505.	1511.	1500.
Reference	Flamini, Luigi Cioni, et al., 2005	Flamini, Luigi Cioni, et al., 2005, 2	bin Jantan, Yalvema, et al., 2005	Menut, Cabalion, et al., 2005	Paolini, Costa, 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	DB-1	Mega 5MS	HP-5MS
Column length (m)	30.	60.	30.	30.	30.
Carrier gas	He	He	N2	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.	50.	40.	60.
T_end (C)	250.	200.	200.	240.	280.
Heat rate (K/min)	4.	2.	5.	3.	3.
Initial hold (min)	2.			2.
Final hold (min)	20.	10.
I	1509.	1501.	1500.	1500.	1505.
Reference	Pino, Mesa, et al., 2005	Smadja, Rondeau, et al., 2005	Tchoumbougnang, Zollo, et al., 2005	Verzera, Trozzi, 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	HP-5MS	RTX-5	HP-1
Column length (m)	30.	30.	30.	30.	25.
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	0.25	0.25	0.25	0.17
T_start (C)	70.	60.	60.	45.	50.
T_end (C)	220.	220.	280.	300.	200.
Heat rate (K/min)	3.	5.	3.	3.	3.
Initial hold (min)		10.		6.
Final hold (min)	15.			10.
I	1497.	1508.	1508.	1510.	1479.
Reference	Antunes, Sevinate-Pinto, et al., 2004	Bertoli, Pistelli, et al., 2004	Chorianopoulos, Kalpoutzakis, et al., 2004	Dugo, Mondello, et al., 2004	Fernández-Ocaña, Gómez-Rodríguez, 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	BP-1	HP-5	DB-5MS	RSL-200
Column length (m)	30.	50.	30.	30.	30.
Carrier gas	N2		He	He	H2
Substrate
Column diameter (mm)	0.25	0.22	0.25	0.25	0.32
Phase thickness (μm)	0.25	0.25		0.25	0.25
T_start (C)	60.	60.	60.	40.	40.
T_end (C)	240.	220.	260.	280.	280.
Heat rate (K/min)	3.	2.	3.	4.	6.
Initial hold (min)				2.	5.
Final hold (min)		20.			5.
I	1508.	1502.	1508.	1515.	1521.
Reference	Flamini, Cioni, et al., 2004	Gonny, Bradesi, et al., 2004	Javidnia, Miri, et al., 2004	Mardarowicz, Wianowska, 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-5
Column length (m)	50.	25.	50.	30.	25.
Carrier gas	He	He	He	He	N2
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.	75.
T_end (C)	240.	240.	250.	280.	210.
Heat rate (K/min)	3.	3.	3.	3.	3.
Initial hold (min)			15.		10.
Final hold (min)		7.	40.		1.
I	1509.	1508.	1509.	1488.	1510.
Reference	Özcan and Chalchat, 2004	Sartoratto, Machado, et al., 2004	Stashenko, Jaramillo, et al., 2004	Tzakou, Vagias, et al., 2004	bin Ahmad and bin Jantan, 2003
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	BPX-5	DB-5	DB-5	BP-1	HP-5
Column length (m)	30.	30.	30.	50.	30.
Carrier gas	N2	He	He	He	He
Substrate
Column diameter (mm)	0.25	0.25	0.25	0.22	0.25
Phase thickness (μm)	0.25	0.25	0.25	0.25	0.25
T_start (C)	75.	60.	60.	60.	60.
T_end (C)	210.	240.	240.	230.	280.
Heat rate (K/min)	3.	3.	3.	2.	3.
Initial hold (min)	10.
Final hold (min)	1.	30.		35.
I	1510.	1509.	1510.	1504.	1504.
Reference	bin Ahmad and bin Jantan, 2003, 2	Bader, Caponi, et al., 2003	Bader, Flamini, et al., 2003	Bianchini, Tomi, et al., 2003	Bougatsos, Meyer, 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	RTX-1	Ultra-2	Optima 5	HP-5
Column length (m)	30.	60.	25.	25.	30.
Carrier gas	He	He	H2	He	N2
Substrate
Column diameter (mm)	0.2	0.22	0.25	0.25	0.25
Phase thickness (μm)	0.2	0.25	0.33	0.25	0.25
T_start (C)	70.	60.	40.	60.	60.
T_end (C)	220.	230.	280.	280.	220.
Heat rate (K/min)	3.	2.	3.	3.	5.
Initial hold (min)			2.		10.
Final hold (min)	15.	45.	10.	20.
I	1497.	1502.	1508.	1500.	1507.
Reference	Cavaleiro, Salgueiro, et al., 2003	Cavalli, Tomi, et al., 2003	Ceva-Antunes, Bizzo, et al., 2003	Chosson, Vérité, et al., 2003	Dural, Bagci, 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	DB-1	DB-1	PE-5	DB-5
Column length (m)	30.	30.	30.	30.	30.
Carrier gas	N2	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
T_start (C)	60.	40.	40.	40.	75.
T_end (C)	220.	250.	250.	280.	230.
Heat rate (K/min)	5.	2.	2.	3.	3.
Initial hold (min)	10.	5.	5.		10.
Final hold (min)		20.
I	1509.	1491.	1495.	1511.	1505.
Reference	Ertugrul, Dural, et al., 2003	de Feo, Bruno, et al., 2003	de Feo, Urrunaga Soria, et al., 2003	Isidorov and Vinogorova, 2003	bin Jantan, Yassin, 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	HP-5	HP-5MS	BPX-5	HP-5
Column length (m)	25.	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
T_start (C)	60.	60.	50.	60.	60.
T_end (C)	260.	240.	250.	240.	280.
Heat rate (K/min)	4.	3.	3.	3.	4.
Initial hold (min)				2.	5.
Final hold (min)
I	1510.	1509.	1508.	1513.	1506.
Reference	Javidnia, Miri, et al., 2003	Macchioni, Cioni, et al., 2003	Salido, Altarejos, et al., 2003	Shellie, Marriott, et al., 2003	Skaltsa, Demetzos, 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	Mega 5MS	SPB-1	DB-5	DB-5
Column length (m)	30.	30.	30.	30.	30.
Carrier gas	He	He	He		He
Substrate
Column diameter (mm)	0.25	0.25	0.20	0.25	0.25
Phase thickness (μm)	0.25	0.25	0.20	0.25	0.25
T_start (C)	60.	40.	70.	50.	60.
T_end (C)	280.	240.	220.	280.	240.
Heat rate (K/min)	3.	3.	3.	3.	3.
Initial hold (min)		2.		5.
Final hold (min)			15.
I	1508.	1500.	1507.	1509.	1512.
Reference	Tzakou, Couladis, et al., 2003	Verzera, Trozzi, et al., 2003	Cavaleiro, Salgueiro, et al., 2002	Economakis, Skaltsa, et al., 2002	Flamini, Cioni, 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	BP-1	DB-5	RTX-5	SPB-5
Column length (m)	25.	50.	25.	30.	30.
Carrier gas	N2	He	He	He	He
Substrate
Column diameter (mm)	0.25	0.22	0.25	0.25	0.25
Phase thickness (μm)		0.25		0.25	0.25
T_start (C)	60.	60.	70.	45.	60.
T_end (C)	180.	220.	260.	300.	250.
Heat rate (K/min)	3.	2.	4.	3.	4.
Initial hold (min)	10.			6.	2.
Final hold (min)	10.	20.		10.	20.
I	1498.	1500.	1509.	1518.	1509.
Reference	bin Jantan and bin Ahmad, 2002	Lota, de Rocca Serra, et al., 2002	Miri, Ramezani, et al., 2002	Mondello, Zappia, et al., 2002	Pino, Marbot, 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	HP-5MS	HP-5	HP-5	BP-1
Column length (m)	50.	30.	30.	30.	50.
Carrier gas	He	He	He	He	He
Substrate
Column diameter (mm)	0.32	0.25	0.25	0.25	0.22
Phase thickness (μm)	0.4	0.25	0.25	0.25	0.25
T_start (C)	60.	50.	60.	60.	60.
T_end (C)	280.	250.	280.	280.	220.
Heat rate (K/min)	3.	5.	3.	3.	2.
Initial hold (min)	10.	2.	5.	5.
Final hold (min)	60.	5.
I	1505.	1509.	1508.	1506.	1500.
Reference	Pino, Marbot, et al., 2002, 2	Shang, Hu, et al., 2002	Aligiannis, Kalpoutzakis, et al., 2001	Aligiannis, Kalpoutzakis, et al., 2001, 2	Lota, Serra, et al., 2001
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	DB-5	CP Sil 5 CB	HP-5	DB-5	DB-5
Column length (m)	30.	50.	30.	60.	30.
Carrier gas	H2	He	He	He	He
Substrate
Column diameter (mm)	0.25	0.32	0.20	0.25	0.25
Phase thickness (μm)	0.25	0.4	0.25	0.25	0.25
T_start (C)	60.	60.	60.	40.	60.
T_end (C)	240.	280.	180.	290.	240.
Heat rate (K/min)	3.	3.	4.	4.	3.
Initial hold (min)		10.	8.	2.	2.
Final hold (min)		60.	2.	5.
I	1508.	1505.	1509.	1502.	1510.
Reference	Nogueira, Bittrich, et al., 2001	Pino, Marbot, et al., 2001	Alonzo, Bosco, et al., 2000	Bartley and Jacobs, 2000	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	RTX-5	Mega 5MS	CP Sil 8 CB	HP-5	BP-1
Column length (m)	10.	30.	50.	30.	50.
Carrier gas	He	He		He	He
Substrate
Column diameter (mm)	0.1	0.25	0.32	0.25	0.22
Phase thickness (μm)	0.1	0.25		0.25	0.25
T_start (C)	50.	40.	60.	50.	60.
T_end (C)	350.	240.	220.	280.	230.
Heat rate (K/min)	12.3	3.	4.	4.	2.
Initial hold (min)		2.	5.	5.
Final hold (min)			30.		35.
I	1517.	1500.	1512.	1506.	1500.
Reference	Mondello, Zappia, et al., 2000	Verzera, la Rosa, et al., 2000	Chevance and Farmer, 1999	Lazari, Skaltsa, et al., 1999	Lota, Serra, et al., 1999
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	BP-1	BP-1	Methyl Silicone	Ultra-1	OV-1
Column length (m)	50.	50.	50.	25.	25.
Carrier gas	He	He	N2	He	H2
Substrate
Column diameter (mm)	0.22	0.22	0.25	0.32	0.25
Phase thickness (μm)	0.25	0.25	0.17	0.52	0.3
T_start (C)	60.	60.	80.	35.	50.
T_end (C)	230.	220.	200.	320.	200.
Heat rate (K/min)	2.	2.	2.	15.	3.
Initial hold (min)					1.
Final hold (min)	35.	20.		10.	20.
I	1500.	1500.	1508.	1504.	1495.
Reference	Lota, Serra, et al., 1999	Mazzoni, Tomi, et al., 1999	Sumathykutty, Rao, et al., 1999	Richmond and Pombo-Villar, 1998	Bicchi, Fresia, et al., 1997
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	BP-1	Ultra-1	DB-1	DB-1	DB-1
Column length (m)	50.	25.	30.	60.	60.
Carrier gas	He		He		He
Substrate
Column diameter (mm)	0.22	0.32	0.20	0.32	0.25
Phase thickness (μm)	0.25	0.52	0.20	0.5	0.25
T_start (C)	60.	35.	70.	40.	70.
T_end (C)	230.	320.	200.	290.	250.
Heat rate (K/min)	2.	15.	4.	4.	2.5
Initial hold (min)			5.	2.	5.
Final hold (min)	35.	10.		5.	15.
I	1501.	1503.99	1498.	1501.	1495.
Reference	Mariotti, Costa, et al., 1997	Richmond and Pombo-Villar, 1997	Stashenko, Wiame, et al., 1995	Bartley and Foley, 1994	Combariza, Tirado, et al., 1994
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	HP-101	OV-101	OV-101	OV-1	OV-1
Column length (m)	50.	50.	50.	30.	30.
Carrier gas	N2	N2	N2	He	He
Substrate
Column diameter (mm)	0.25	0.25	0.25	0.5	0.5
Phase thickness (μm)				0.8	0.8
T_start (C)	70.	80.	80.	40.	40.
T_end (C)	200.	200.	200.	220.	220.
Heat rate (K/min)	3.	2.	2.	2.	2.
Initial hold (min)
Final hold (min)
I	1513.	1503.	1505.	1493.	1503.
Reference	Chung, Eiserich, et al., 1993	Yang, Sugisawa, et al., 1992	Yang, Sugisawa, et al., 1992	De Pooter, Omar, et al., 1985	De Pooter, Omar, et al., 1985
Comment	MSDC-RI	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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Dugo, Mondello, et al., 2004
Dugo, P.; Mondello, L.; Zappia, G.; Bonaccorsi, I.; Cotroneo, A.; Russo, M.T., The composition of the volatile fraction and the enantiomeric distribution of five volatile components of faustrime oil (Monocitrus australatica x Fortunella sp. x Citrus aurantifolia), J. Essent. Oil Res., 2004, 16, 4, 328-333, https://doi.org/10.1080/10412905.2004.9698734 . [all data]

Fernández-Ocaña, Gómez-Rodríguez, et al., 2004
Fernández-Ocaña, A.M.; Gómez-Rodríguez, M.V.; Velasco-Negueruela, A.; Camacho-Simarro, A.M.; Fernández-López, C.; Altarejos, J., In vivo antifungal activity of the essential oil of Bupleurum gibraltarium against plasmopara halstedii in sunflower, J. Agric. Food Chem., 2004, 52, 21, 6414-6417, https://doi.org/10.1021/jf040219n . [all data]

Flamini, Cioni, et al., 2004
Flamini, G.; Cioni, P.L.; Morelli, I.; Maccioni, S.; Baldini, R., Phytochemical typologies in some populations of Myrtus communis L. on Caprione Promontory (East Liguria, Italy), Food Chem., 2004, 85, 4, 599-604, https://doi.org/10.1016/j.foodchem.2003.08.005 . [all data]

Gonny, Bradesi, et al., 2004
Gonny, M.; Bradesi, P.; Casanova, J., Identification of the components of the essential oil from wild Corsican Daucus carota L. using ¹³C-NMR spectroscopy, Flavour Fragr. J., 2004, 19, 5, 424-433, https://doi.org/10.1002/ffj.1330 . [all data]

Javidnia, Miri, et al., 2004
Javidnia, K.; Miri, R.; Kamalinejad, M.; Sarkarzadeh, H.; Jamalian, A., Chemical composition of the essential oils of Anthemis altissima L. grown in Iran, Flavour Fragr. J., 2004, 19, 3, 213-216, https://doi.org/10.1002/ffj.1277 . [all data]

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Mardarowicz, M.; Wianowska, D.; Dawidowicz, A.L.; Sawicki, R., The influence of sample treatment on SPME extracts from conifers. I. Comparison of terpene composition in Engelmann Spruce (Picea engelmanii) using hydrodistillation, SPME and PLE, Annales Universitatis Mariae Curie-Sklodowska Lublin - Polonia, 2004, 59, 3, 25-42. [all data]

Ngassoum, Ousmaila, et al., 2004
Ngassoum, M.B.; Ousmaila, H.; Ngamo, L.T.; Maponmetsem, P.M.; Jirovetz, L.; Buchbauer, G., Aroma compounds of essential oils of two varieties of the spice plant Ocimum canum Sims from northern Cameroon, J. Food Comp. Anal., 2004, 17, 2, 197-204, https://doi.org/10.1016/j.jfca.2003.08.002 . [all data]

Özcan and Chalchat, 2004
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Sartoratto, Machado, et al., 2004
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Tzakou, Vagias, et al., 2004
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bin Ahmad and bin Jantan, 2003
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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]

Bader, Caponi, et al., 2003
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Bader, Flamini, et al., 2003
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Cavaleiro, Salgueiro, et al., 2003
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Chosson, Vérité, et al., 2003
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de Feo, Bruno, et al., 2003
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Isidorov and Vinogorova, 2003
Isidorov, V.A.; Vinogorova, V.T., GC-MS analysis of compounds extracted from buds of Populus balsamifera and Populus nigra, Z. Naturforsch. C:, 2003, 58, 355-360. [all data]

bin Jantan, Yassin, et al., 2003
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Javidnia, Miri, et al., 2003
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Macchioni, Cioni, et al., 2003
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Salido, Altarejos, et al., 2003
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Shellie, Marriott, et al., 2003
Shellie, R.A.; Marriott, P.J.; Huie, C.W., Comprehensive two-dimensional gas chromatography (GC × GC) and GC × GC-quadrupole MS analysis of Asian and American ginseng, J. Sep. Sci., 2003, 26, 12-13, 1185-1192, https://doi.org/10.1002/jssc.200301404 . [all data]

Skaltsa, Demetzos, et al., 2003
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Tzakou, Couladis, et al., 2003
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Verzera, Trozzi, et al., 2003
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Cavaleiro, Salgueiro, et al., 2002
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Economakis, Skaltsa, et al., 2002
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Flamini, Cioni, et al., 2002
Flamini, G.; Cioni, P.L.; Morelli, I., Analysis of the essential oil of the aerial parts of Viola etrusca from Monte Labbro (South Tuscany, Italy) and in vivo analysis of flower volatiles using SPME, Flavour Fragr. J., 2002, 17, 2, 147-149, https://doi.org/10.1002/ffj.1060 . [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]

Lota, de Rocca Serra, et al., 2002
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Miri, Ramezani, et al., 2002
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Mondello, Zappia, et al., 2002
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Pino, Marbot, et al., 2002
Pino, J.; Marbot, R.; Rosado, A., Volatile constituents of star apple (Chrysophyllum cainito L.) from Cuba, Flavour Fragr. J., 2002, 17, 5, 401-403, https://doi.org/10.1002/ffj.1116 . [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]

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.; Mitaku, S.; Chinou, I.B., Composition and antimicrobial activity of the essential oils of two Origanum species, J. Agric. Food Chem., 2001, 49, 9, 4168-4170, https://doi.org/10.1021/jf001494m . [all data]

Aligiannis, Kalpoutzakis, et al., 2001, 2
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]

Lota, Serra, et al., 2001
Lota, M.-L.; Serra, D.R.; Jacquemond, C.; Tomi, F.; Casanova, J., Chemical variability of peel and leaf essential oils of sour orange, Flavour Fragr. J., 2001, 16, 2, 89-96, https://doi.org/10.1002/1099-1026(200103/04)16:2<89::AID-FFJ950>3.0.CO;2-D . [all data]

Nogueira, Bittrich, et al., 2001
Nogueira, P.C.L.; Bittrich, V.; Shepherd, G.J.; Lopes, A.V.; Marsaioli, A.J., The ecological and taxonomic importance of flower volatiles of Clusia species (Guttiferae), Phytochemistry, 2001, 56, 5, 443-452, https://doi.org/10.1016/S0031-9422(00)00213-2 . [all data]

Pino, Marbot, et al., 2001
Pino, J.A.; Marbot, R.; Vázquez, C., Characterization of volatiles in strawberry guava (Psidium cattleianum Sabine) fruit, J. Agric. Food Chem., 2001, 49, 12, 5883-5887, https://doi.org/10.1021/jf010414r . [all data]

Alonzo, Bosco, et al., 2000
Alonzo, G.; Bosco, S.F.D.; Palazzolo, E.; Saiano, F.; Tusa, N., Citrus somatic hybrid leaf essential oil, Flavour Fragr. J., 2000, 15, 4, 258-262, https://doi.org/10.1002/1099-1026(200007/08)15:4<258::AID-FFJ906>3.0.CO;2-F . [all data]

Bartley and Jacobs, 2000
Bartley, J.P.; Jacobs, A.L., Effects of drying on flavour compounds in Australian-grown ginger (Zingiber officinale), J. Sci. Food Agric., 2000, 80, 2, 209-215, https://doi.org/10.1002/(SICI)1097-0010(20000115)80:2<209::AID-JSFA516>3.0.CO;2-8 . [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]

Mondello, Zappia, et al., 2000
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Verzera, la Rosa, et al., 2000
Verzera, A.; la Rosa, G.; Zappalà, M.; Cotroneo, A., Essential oil composition of different cultivars of bergamot grown in Sicily, Ital. J. Food Sci., 2000, 12, 4, 493-501. [all data]

Chevance and Farmer, 1999
Chevance, F.F.V.; Farmer, L.J., Identification of major volatile odor compounds in frankfurters, J. Agric. Food Chem., 1999, 47, 12, 5151-5160, https://doi.org/10.1021/jf990515d . [all data]

Lazari, Skaltsa, et al., 1999
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Lota, Serra, et al., 1999
Lota, M.-L.; Serra, D.R.; Tomi, F.; Bessiere, J.-M.; Casanova, J., Chemical composition of peel and leaf essential oils of Citrus medica L. and C. limonimedica Lush., Flavour Fragr. J., 1999, 14, 3, 161-166, https://doi.org/10.1002/(SICI)1099-1026(199905/06)14:3<161::AID-FFJ801>3.0.CO;2-8 . [all data]

Mazzoni, Tomi, et al., 1999
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Sumathykutty, Rao, et al., 1999
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Richmond, R.; Pombo-Villar, E., Short communication. Use of persistent trace gas chromatography artifacts for the calculation of pseudo-Sadtler retention indices, J. Chromatogr. A, 1998, 811, 1-2, 241-245, https://doi.org/10.1016/S0021-9673(98)00285-4 . [all data]

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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]

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Richmond, R.; Pombo-Villar, E., Short communication. Gas chromatography-mass spectrometry coupled with pseudo-Sadtler retention indices, for the identification of components in the essential oil of Curcuma longa L., J. Chromatogr. A, 1997, 760, 2, 303-308, https://doi.org/10.1016/S0021-9673(96)00802-3 . [all data]

Stashenko, Wiame, et al., 1995
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Bartley and Foley, 1994
Bartley, J.P.; Foley, P., Supercritical fluid extraction of Australian-grown ginger (Zingiber officinale), J. Sci. Food Agric., 1994, 66, 3, 365-371, https://doi.org/10.1002/jsfa.2740660314 . [all data]

Combariza, Tirado, et al., 1994
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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]

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Yang, R.; Sugisawa, H.; Nakatani, H.; Tamura, H.; Takagi, N., Comparison of odor quality in peel oils of acid citrus, Nippon Shokuhin Kogyo Gakkaishi, 1992, 39, 1, 16-24, https://doi.org/10.3136/nskkk1962.39.16 . [all data]

De Pooter, Omar, et al., 1985
De Pooter, H.L.; Omar, M.N.; Coolsaet, B.A.; Schamp, N.M., The Essential Oil of Greater Galanga (Alpinia Galanga) from Malaysia, Phytochemistry, 1985, 24, 1, 93-96, https://doi.org/10.1016/S0031-9422(00)80814-6 . [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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