Humulene

Formula: C₁₅H₂₄
Molecular weight: 204.3511
IUPAC Standard InChI: InChI=1S/C15H24/c1-13-7-5-8-14(2)10-12-15(3,4)11-6-9-13/h6-7,10-11H,5,8-9,12H2,1-4H3/b11-6+,13-7+,14-10+
IUPAC Standard InChIKey: FAMPSKZZVDUYOS-HRGUGZIWSA-N
CAS Registry Number: 6753-98-6
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.
Other names: α-Caryophyllene; 1,4,8-Cycloundecatriene, 2,6,6,9-tetramethyl-, (E,E,E)-; α-Humulene; Cycloundeca-1,4,8-triene,2,6,6,9-tetramethyl-, (E,E,E)-; 2,6,6,9-Tetramethyl-1,4,8-cycloundecatriene-, (1E,4E,8E)-; α-Humulenen; α-Humulene (α-caryophyllene); α-Humullene; (E)-α-Caryophyllene; α-Humulen
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Normal alkane RI, polar column, temperature ramp

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

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	RTX-Wax	HP-Innowax	HP-Innowax	AT-Wax	HP-Innowax
Column length (m)	60.	60.	60.	60.	30.
Carrier gas	Helium	Helium	Helium	Helium	Helium
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.	60.	60.	60.	50.
T_end (C)	230.	220.	220.	280.	250.
Heat rate (K/min)	2.	5.	3.	4.	5.
Initial hold (min)		1.	1.		5.
Final hold (min)	5.	5.	5.		10.
I	1655.	1675.	1686.	1692.	1690.
Reference	Bendiabdellah, El Amine Dib, et al., 2012	Feng, Cui, et al., 2011	Feng, Zhuang, et al., 2011	Kiss, Csoka, et al., 2011	Menichini, Tundis, et al., 2011
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	DB-FFAP	CP-Wax 52 CB	RTX-Wax	BP-20	DB-Wax
Column length (m)	30.	60.	60.		15.
Carrier gas	Helium	Helium	Helium	Nitrogen	Helium
Substrate
Column diameter (mm)	0.32	0.25	0.22		0.25
Phase thickness (μm)	0.25	0.25	0.25		0.25
T_start (C)	50.	40.	60.	60.	40.
T_end (C)	250.	220.	230.	200.	260.
Heat rate (K/min)	4.	3.	2.	5.	4.
Initial hold (min)	4.
Final hold (min)	5.		30.		5.
I	1673.	1673.	1648.	1675.	1657.
Reference	Osorio, Carriazo, et al., 2011	Tsai, Huang, et al., 2011	Dib, Djabou, et al., 2010	Mishra, Chaudhary, et al., 2010	Miyazawa, Kawauchi, et al., 2010
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	Supelcowax	DB-Wax	Innowax	DB-Wax	HP-Innowax
Column length (m)	60.	30.	30.	60.	30.
Carrier gas	Nitrogen	Hydrogen	Helium	Helium	Nitrogen
Substrate
Column diameter (mm)	0.35	0.25	0.25	0.25	0.25
Phase thickness (μm)	0.25	0.25	0.25	0.25	0.52
T_start (C)	60.	30.	40.	50.	35.
T_end (C)	230.	230.	250.	220.	205.
Heat rate (K/min)	4.	8.	6.	3.	3.
Initial hold (min)		5.	1.	2.	10.
Final hold (min)	40.	10.	4.	70.	10.
I	1680.	1673.	1673.	1677.	1687.
Reference	Gauvin-Bialecki and Marodon, 2009	Karlsson, Birgersson, et al., 2009	Seo, Kim, et al., 2009	Shimizu, Imayoshi, et al., 2009	Wannes, Mhamdi, et al., 2009
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	HP-Innowax	HP-Innowax	RTX-Wax	HP Innowax	HP-Innowax
Column length (m)	30.	30.	60.	30.	30.
Carrier gas	Nitrogen	Helium	He	Helium	N2
Substrate
Column diameter (mm)	0.25	0.25	0.22	0.32	0.25
Phase thickness (μm)	0.25	0.25	0.25	0.50	0.25
T_start (C)	50.	50.	60.	60.	50.
T_end (C)	280.	240.	230.	260.	240.
Heat rate (K/min)	5.	15.	2.	3.	5.
Initial hold (min)	1.	10.			1.
Final hold (min)	1.	19.	35.		4.
I	1672.	1680.	1661.	1662.	1670.
Reference	Bousaada, Ammar, et al., 2008	Charoensiddhi and Anprung, 2008	Paolini, Tomi, et al., 2008	Capetanos, Saroglou, et al., 2007	Cheraif, Ben Jannet, et al., 2007
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	Carbowax	Carbowax	HP-Innowax	HP-Innowax	CP-Wax 52CB
Column length (m)	60.	60.	30.	30.	30.
Carrier gas	He	He	Helium	He	He
Substrate
Column diameter (mm)	0.2	0.2	0.25	0.25	0.32
Phase thickness (μm)	0.25	0.25	0.25	0.25	0.25
T_start (C)	60.	60.	40.	60.	40.
T_end (C)	250.	250.	250.	240.	220.
Heat rate (K/min)	2.	2.	2.	2.	3.
Initial hold (min)	8.	8.	5.		1.
Final hold (min)	15.	15.		20.	2.
I	1657.	1645.	1689.	1656.	1661.
Reference	Ferhat, Meklati, et al., 2007	Ferhat, Tigrine-Kordjani, et al., 2007	Formisano, Rigano, et al., 2007	Hachicha, Skanji, et al., 2007	Hymete, Rohloff, et al., 2007
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	HP-20M	TC-FFAP	TC-FFAP	TC-Wax	DB-Wax
Column length (m)	50.			60.	60.
Carrier gas	He	He	He	He	He
Substrate
Column diameter (mm)	0.2	0.25	0.25	0.25	0.32
Phase thickness (μm)	0.2	0.25	0.25	0.25	0.25
T_start (C)	70.	60.	60.	60.	70.
T_end (C)	180.	220.	220.	240.	220.
Heat rate (K/min)	4.	3.	3.	2.	4.
Initial hold (min)	4.
Final hold (min)		30.	30.
I	1625.	1667.	1666.	1669.	1667.
Reference	Jerkovic, Mastelic, et al., 2007	Kurose, Okamura, et al., 2007	Kurose, Okamura, et al., 2007	Miyazawa and Tamura, 2007	Pala-Paul, Brophy, et al., 2007
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	Supelcowax-10	CP-Wax 52CB	Supelcowax-10	Supelcowax-10	Supelcowax-10
Column length (m)	30.	60.	30.	30.	30.
Carrier gas	He	He	He		He
Substrate
Column diameter (mm)	0.2	0.32	0.25	0.25	0.25
Phase thickness (μm)	0.2	0.5	0.25	0.25	0.25
T_start (C)	70.	40.	50.	40.	40.
T_end (C)	220.	220.	250.	210.	250.
Heat rate (K/min)	3.	4.	2.	2.	3.
Initial hold (min)		8.			5.
Final hold (min)	15.	20.		33.	10.
I	1664.	1684.	1622.	1666.	1709.
Reference	Pinto, Salgueiro, et al., 2007	Povolo, Contarini, et al., 2007	Raal, Orav, et al., 2007	Sylvestre, Longtin, et al., 2007	Vichi, Riu-Aumatell, et al., 2007
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	DB-Wax	AT-Wax	BP-20	DB-Wax	Supelcowax 10
Column length (m)	60.	60.	50.	60.	30.
Carrier gas	He	He		He	Helium
Substrate
Column diameter (mm)	0.25	0.25	0.22	0.25	0.20
Phase thickness (μm)	0.25	0.25	0.25	0.5	0.20
T_start (C)	60.	60.	60.	50.	70.
T_end (C)	180.	200.	220.	230.	220.
Heat rate (K/min)	3.	4.	2.	3.	3.
Initial hold (min)	8.			2.
Final hold (min)	80.	20.	20.	20.	15.
I	1690.	1702.	1665.	1657.	1662.
Reference	Wei A. and Shibamoto T., 2007	Borges, Rojas, et al., 2006	Boti, Yao, et al., 2006	Cai, Lin, et al., 2006	Cavaleiro, Pinto, et al., 2006
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	BP-20	HP-20M	Supelcowax-10	DB-Wax	CP-Wax 52CB
Column length (m)	50.	50.	30.	30.	30.
Carrier gas	He	He		He	He
Substrate
Column diameter (mm)	0.22	0.2	0.25	0.25	0.32
Phase thickness (μm)	0.25	0.1	0.25	0.25	0.25
T_start (C)	60.	60.	40.	50.	60.
T_end (C)	220.	220.	210.	250.	220.
Heat rate (K/min)	2.	2.	2.	3.	3.3
Initial hold (min)			2.		7.
Final hold (min)	20.	30.	33.	10.	3.
I	1665.	1622.	1665.	1649.	1668.
Reference	Fanciullino, Tomi, et al., 2006	Filippi, Lanfranchi, et al., 2006	Garneau F.X., Collin G., et al., 2006	Havlik, Kokoska, et al., 2006	Hymete, Rohloff, et al., 2006
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	DB-Wax	BP-20	Supelcowax	HP-Wax	HP-20M
Column length (m)	60.	50.	30.	30.	30.
Carrier gas		He	N2	Nitrogen	N2
Substrate
Column diameter (mm)	0.25	0.22	0.32	0.25	0.25
Phase thickness (μm)	0.25	0.25	0.25	0.25	0.25
T_start (C)	70.	60.	50.	50.	50.
T_end (C)	230.	220.	200.	280.	250.
Heat rate (K/min)	2.	2.	5.	5.	5.
Initial hold (min)	2.
Final hold (min)	20.	20.		5.	10.
I	1672.	1665.	1683.	1660.	1660.
Reference	Lan Phi N.T., Nishiyama C., et al., 2006	Lesueur, Ban, et al., 2006	Martin, Joseph, et al., 2006	Marzouk, Mansour, et al., 2006	Marzouk, Neffati, et al., 2006
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	HP-20M	DB-Innowax	NB-20M	DB-Wax	Supelcowax-10
Column length (m)	50.	60.	30.	60.	30.
Carrier gas	He	Helium	He		He
Substrate
Column diameter (mm)	0.2	0.25	0.2	0.25	0.25
Phase thickness (μm)	0.2	0.25	0.25	0.25	0.25
T_start (C)	70.	60.	50.	70.	50.
T_end (C)	180.	240.	250.	230.	220.
Heat rate (K/min)	4.	3.	2.	2.	4.
Initial hold (min)	4.			2.	1.
Final hold (min)	15.	20.		20.	10.
I	1638.	1682.	1655.	1675.	1666.
Reference	Mastelic, Jerkovic, et al., 2006	Mendivil, Rodrigues, et al., 2006	Orav, Raal, et al., 2006	Sawamura, Onishi, et al., 2006	Wong, Lim, et al., 2006
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	Supelcowax-10	Carbowax 20M	DB-Wax	Supelcowax	Stabilwax
Column length (m)	30.	60.	30.	60.	30.
Carrier gas	He	N2	N2	He	H2
Substrate
Column diameter (mm)	0.25	0.25	0.25	0.2	0.32
Phase thickness (μm)	0.25	0.25	0.25	0.2	0.5
T_start (C)	50.	40.	60.	60.	40.
T_end (C)	250.	190.	250.	230.	280.
Heat rate (K/min)	4.	10.	5.	4.	6.
Initial hold (min)	1.	2.		30.	5.
Final hold (min)	10.	15.	10.		5.
I	1653.	1672.	1642.	1655.	1657.
Reference	Wong, Sivasothy, et al., 2006	Babu and Kaul, 2005	Fakhari A.R., Sonboli A., et al., 2005	Gauvin and Smadja, 2005	Jirovetz, Buchbauer, et al., 2005
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	Stabilwax	Innowax	CP-Wax	HP-20M	HP-20M
Column length (m)	30.	60.	30.	50.	50.
Carrier gas		He	He	Helium	Helium
Substrate
Column diameter (mm)	0.32	0.25	0.32	0.20	0.20
Phase thickness (μm)	0.5	0.25	0.25	0.20	0.20
T_start (C)	40.	60.	40.	70.	70.
T_end (C)	280.	240.	180.	180.	180.
Heat rate (K/min)	6.	5.	5.	4.	4.
Initial hold (min)	5.		2.	4.	4.
Final hold (min)	5.	30.		10.	10.
I	1657.	1693.	1647.	1638.	1638.
Reference	Jirovetz, Buchbauer, et al., 2005, 2	Joichi, Yomogida, et al., 2005	Ka, Choi, et al., 2005	Kulisic, Radonic, et al., 2005	Kulisic, Radonic, et al., 2005
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	DB-Wax	CP-Wax 52CB	CP-Wax 52CB	Supelcowax-10	Carbowax
Column length (m)	60.	30.	30.	30.	30.
Carrier gas	He	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	0.25	0.25
T_start (C)	35.	40.	40.	40.	40.
T_end (C)	220.	220.	220.	210.	200.
Heat rate (K/min)	3.	4.	4.	2.	4.
Initial hold (min)		1.	1.	2.
Final hold (min)				33.
I	1667.	1668.	1668.	1638.	1680.
Reference	Palá-Paúl, Pérez-Alonso, et al., 2005	Rohloff and Bones, 2005	Rohloff and Bones, 2005	Stevanovic, Garneau, et al., 2005	Szafranek, Chrapkowska, et al., 2005
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	Supelcowax-10	Supelcowax-10	PEG-20M	BP-20	DB-Wax
Column length (m)	30.	30.	30.	50.	60.
Carrier gas		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)	40.	50.	60.	60.	70.
T_end (C)	220.	220.	180.	220.	230.
Heat rate (K/min)	3.	4.	3.	2.	2.
Initial hold (min)	5.	3.	10.		2.
Final hold (min)	10.	30.	30.	20.	20.
I	1709.	1670.	1672.	1658.	1678.
Reference	Vichi, Riu-Aumatell, et al., 2005	Wong, Lee, et al., 2005	Yao, Guo, et al., 2005	Blanc, Muselli, et al., 2004	Choi, 2004
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	DB-Wax	Supelcowax-10	Supelcowax-10	DB-Wax	DB-Wax
Column length (m)	60.	60.	30.	60.	60.
Carrier gas	N2	He	N2	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
T_start (C)	70.	60.	40.	60.	60.
T_end (C)	230.	200.	230.	220.	220.
Heat rate (K/min)	2.	4.	2.	2.	2.
Initial hold (min)	2.			4.	4.
Final hold (min)	20.	40.
I	1677.	1651.	1663.	1665.	1665.
Reference	Choi, 2004, 2	Gauvin, Ravaomanarivo, et al., 2004	González, Guerra, et al., 2004	Jiang and Kubota, 2004	Jiang and Kubota, 2004
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	Supelcowax-10	Innowax FSC	Supelcowax-10	Supelcowax-10	DB-Wax
Column length (m)	30.	60.	50.	50.	60.
Carrier gas		Helium	He	He	He
Substrate
Column diameter (mm)	0.25	0.25	0.2	0.2	0.32
Phase thickness (μm)	0.25		0.25	0.25	0.25
T_start (C)	40.	60.	70.	70.	35.
T_end (C)	210.	220.	230.	230.	220.
Heat rate (K/min)	2.	4.	2.	2.	3.
Initial hold (min)	2.	10.
Final hold (min)	33.
I	1648.	1687.	1660.	1658.	1670.
Reference	Lopez Arze, Collin, et al., 2004	Lourens, Reddy, et al., 2004	Orav, Stulova, et al., 2004	Orav, Stulova, et al., 2004	Palá-Paúl, Brophy, et al., 2004
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	Innowax	NB-20M	SW-10	HP-Wax	HP-20M
Column length (m)	50.	50.	50.	30.	50.
Carrier gas	He	He	He	N2	He
Substrate
Column diameter (mm)	0.2	0.2	0.20	0.25	0.2
Phase thickness (μm)	0.2	0.25	0.25	0.25	0.2
T_start (C)	70.	50.	50.	60.	70.
T_end (C)	220.	250.	230.	220.	180.
Heat rate (K/min)	4.	2.	2.	5.	4.
Initial hold (min)				10.	4.
Final hold (min)					10.
I	1690.	1660.	1658.	1674.	1645.
Reference	Palá-Paúl, García-Jiménez, et al., 2004	Raal, Arak, et al., 2004	Raal, Paaver, et al., 2004	Bertoli, Menichini, et al., 2003	Juteau, Jerkovic, et al., 2003
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	HP-20M	CP-Wax 52CB	TC-Wax	TC-Wax	DB-Wax
Column length (m)	50.	60.	60.	60.	60.
Carrier gas	He	He	He		Helium
Substrate
Column diameter (mm)	0.2	0.25	0.25	0.25	0.25
Phase thickness (μm)	0.2	0.25
T_start (C)	70.	40.	80.	80.	70.
T_end (C)	180.	220.	240.	240.	210.
Heat rate (K/min)	4.	3.	3.	3.	2.
Initial hold (min)	4.
Final hold (min)	10.				60.
I	1660.	1673.	1673.	1688.	1676.
Reference	Mastelic and Jerkovic, 2003	Mau, Lai, et al., 2003	Miyazawa, Teranishi, et al., 2003	Miyazawa, Yamafuji, et al., 2003	Mookdasanit, Tamura, et al., 2003
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	Carbowax 20M	Supelcowax-10	HP-Innowax	HP-Innowax	Innowax
Column length (m)	50.	30.	50.	50.	60.
Carrier gas	N2	N2			He
Substrate
Column diameter (mm)	0.25	0.25	0.2	0.2	0.25
Phase thickness (μm)	0.25	0.25	0.2	0.2
T_start (C)	90.	40.	50.	50.	60.
T_end (C)	220.	230.	220.	220.	220.
Heat rate (K/min)	3.	2.	4.	4.	4.
Initial hold (min)			5.	5.	10.
Final hold (min)					10.
I	1677.	1653.	1670.	1670.	1687.
Reference	Priestap, van Baren, et al., 2003	Rotman, Ahumada, et al., 2003	Stashenko, Jaramillo, et al., 2003	Stashenko, Jaramillo, et al., 2003	Suleimenov, Atazharova, et al., 2003
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	DB-Wax	DB-Wax	HP-Innowax	Carbowax 20M	DB-Wax
Column length (m)	60.	60.	50.	25.	60.
Carrier gas	N2	N2	He	N2	H2
Substrate
Column diameter (mm)	0.25	0.25	0.2	0.25	0.32
Phase thickness (μm)	0.25	0.25	0.2	0.25	0.25
T_start (C)	70.	70.	70.	50.	40.
T_end (C)	230.	230.	190.	250.	245.
Heat rate (K/min)	2.	2.	5.	4.	1.5
Initial hold (min)	2.	2.
Final hold (min)	20.	20.		10.	20.
I	1657.	1665.	1686.	1692.	1649.
Reference	Tu, Onishi, et al., 2003	Tu, Onishi, et al., 2003, 2	Velasco-Negueruela, Pérez-Alonso, et al., 2003	Zrira, Elamrani, et al., 2003	Gancel, Ollé, et al., 2002
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	Carbowax 20M	Supelcowax-10	HP-Wax	DB-Wax	DB-Wax
Column length (m)	30.	60.	50.	60.	60.
Carrier gas	He	He	N2	N2	N2
Substrate
Column diameter (mm)	0.25	0.2	0.25	0.25	0.25
Phase thickness (μm)	0.325	0.5	0.25	0.25	0.25
T_start (C)	50.	70.	75.	70.	70.
T_end (C)	215.	220.	220.	230.	230.
Heat rate (K/min)	4.	2.	3.	2.	2.
Initial hold (min)			4.	2.
Final hold (min)	20.			20.
I	1672.	1653.	1673.	1666.	1680.
Reference	Kasali, Winterhalter, et al., 2002	Orav, Kailas, et al., 2002	Priestap, van Baren, et al., 2002	Tu, Onishi, et al., 2002	Tu, Thanh, et al., 2002
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	DB-Wax	DB-Wax	DB-Wax	Stabilwax	BP-20
Column length (m)	60.	60.	60.	30.	50.
Carrier gas	He	He	He	H2	He
Substrate
Column diameter (mm)	0.25	0.25	0.25	0.32	0.22
Phase thickness (μm)	0.25	0.25		0.25	0.25
T_start (C)	40.	45.	40.	60.	60.
T_end (C)	200.	240.	220.	280.	230.
Heat rate (K/min)	2.	3.	2.	10.	2.
Initial hold (min)	2.			5.
Final hold (min)				5.	35.
I	1656.	1670.	1652.	1650.	1660.
Reference	Umano, Hagi, et al., 2002	Christoph, 2001	Jiang and Kubota, 2001	Jirovetz L., Buchbauer G., et al., 2001	Lota, de Rocca Serra, et al., 2001
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	PEG-20M	Carbowax 20M	Carbowax 20M	Innowax	DB-Wax
Column length (m)	50.	50.	50.	60.	60.
Carrier gas	He	He	He	He
Substrate
Column diameter (mm)	0.2	0.22	0.22	0.25	0.25
Phase thickness (μm)		0.25	0.25	0.25	0.25
T_start (C)	70.	60.	60.	60.	30.
T_end (C)	220.	220.	220.	220.	170.
Heat rate (K/min)	2.	2.	2.	4.	2.
Initial hold (min)				10.	4.
Final hold (min)				10.	30.
I	1660.	1670.	1675.	1687.	1666.
Reference	Orav and Kann, 2001	Vernin, Lageot, et al., 2001	Vernin, Lageot, et al., 2001	Baser, Özek, et al., 2000	Buttery, Light, et al., 2000
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	CP-Wax 52CB	DB-Wax	BP-20	HP-20M	DB-Wax
Column length (m)	50.	30.	25.	50.	60.
Carrier gas	He	He	Nitrogen	He	Helium
Substrate
Column diameter (mm)	0.30	0.2	0.50	0.20	0.32
Phase thickness (μm)	0.25		0.25	0.20	0.25
T_start (C)	40.	50.	60.	70.	50.
T_end (C)	220.	180.	200.	180.	230.
Heat rate (K/min)	3.	3.	5.	4.	5.
Initial hold (min)	5.	8.		4.	2.
Final hold (min)
I	1675.	1632.	1673.	1637.	1666.
Reference	Chagonda, Makanda, et al., 2000	Franco and Shibamoto, 2000	Mallavarapu, Rao, et al., 2000	Mastelic, Milos, et al., 2000	Paniandy, Chane-Ming, et al., 2000
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	DB-Wax	DB-Wax	FFAP	BP-20	Innowax
Column length (m)	60.	60.	25.	25.	60.
Carrier gas	Nitrogen	He	N2		He
Substrate
Column diameter (mm)	0.25	0.25	0.25	0.33	0.25
Phase thickness (μm)		0.25		0.5	0.25
T_start (C)	40.	40.	70.	80.	60.
T_end (C)	200.	200.	210.	220.	220.
Heat rate (K/min)	2.	2.	3.	5.
Initial hold (min)	10.	2.	5.		10.
Final hold (min)
I	1684.	1664.	1643.	1684.	1684.
Reference	Tamura, Boonbumrung, et al., 2000	Umano, Hagi, et al., 2000	Ajaiyeoba and Ekundayo, 1999	Dunlop, Bignell, et al., 1999	Kaya, Baser, et al., 1999
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	HP-Innowax	HP-Innowax	Carbowax	DB-Wax	NB-351
Column length (m)	60.	60.	50.	60.	25.
Carrier gas	He	He	N2	He	H2
Substrate
Column diameter (mm)	0.25	0.25	0.2	0.25	0.3
Phase thickness (μm)	0.25	0.25		0.25	0.5
T_start (C)	60.	60.	80.	60.	70.
T_end (C)	220.	220.	200.	240.	250.
Heat rate (K/min)			1.	4.	5.
Initial hold (min)	10.	10.			2.
Final hold (min)			20.
I	1684.	1684.	1682.	1682.	1675.
Reference	Kaya, Baser, et al., 1999, 2	Kaya, Baser, et al., 1999, 2	Menon, Chacko, et al., 1999	Ngassoum, Yonkeu, et al., 1999	Onocha, Ekundayo, et al., 1999
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	BP-20	HP-20M	DB-Wax	DB-Wax	HP-Innowax
Column length (m)	25.	50.	30.	30.	25.
Carrier gas	H2	He	N2	N2
Substrate
Column diameter (mm)	0.33	0.2	0.25	0.25	0.32
Phase thickness (μm)	0.5	0.2	0.25	0.25
T_start (C)	80.	70.	45.	45.	35.
T_end (C)	220.	180.	220.	220.	250.
Heat rate (K/min)	5.	4.	3.	3.	4.
Initial hold (min)		4.
Final hold (min)		10.
I	1684.	1638.	1699.	1682.	1663.
Reference	Bignell, Dunlop, et al., 1998	Milso, Mastelic, et al., 1998	Molleken U., Sinnwell V., et al., 1998	Mölleken, Sinnwell, et al., 1998	Ong, Acree, et al., 1998
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	HP-Innowax	HP-Innowax FSC	HP-Innowax FSC	BP-20	BP-20
Column length (m)	60.	60.	60.	25.	25.
Carrier gas	He	He	He	H2	H2
Substrate
Column diameter (mm)	0.25	0.25	0.25	0.33	0.33
Phase thickness (μm)	0.25	0.25		0.5	0.5
T_start (C)	50.	60.	60.	80.	80.
T_end (C)	220.	220.	240.	220.	220.
Heat rate (K/min)	5.	4.	4.	5.	5.
Initial hold (min)	5.	10.	10.
Final hold (min)		10.	10.
I	1682.	1684.	1684.	1684.	1684.
Reference	Stashenko, Cervantes, et al., 1998	Tümen, Baser, et al., 1998	Baser, Kirimer, et al., 1997	Bignell, Dunlop, et al., 1997	Bignell, Dunlop, et al., 1997, 2
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	BP-20	BP-20	BP-20	BP-20	DB-Wax
Column length (m)	25.	25.	25.	25.	30.
Carrier gas	H2	H2		H2	N2
Substrate
Column diameter (mm)	0.33	0.33	0.33	0.33	0.25
Phase thickness (μm)	0.5	0.5	0.5	0.5
T_start (C)	80.	80.	80.	80.	100.
T_end (C)	220.	220.	220.	220.	220.
Heat rate (K/min)	5.	5.	5.	5.	5.
Initial hold (min)
Final hold (min)
I	1684.	1684.	1684.	1684.	1641.
Reference	Bignell, Dunlop, et al., 1997, 3	Bignell, Dunlop, et al., 1997, 4	Bignell, Dunlop, et al., 1997, 5	Bignell, Dunlop, et al., 1997, 6	Menut, Lamaty, et al., 1997
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	Supelcowax-10	Supelcowax-10	DB-Wax	PEG-20M	TC-Wax
Column length (m)	30.	0.	30.	50.	60.
Carrier gas		He	N2	He
Substrate
Column diameter (mm)	0.25	0.25	0.319	0.25	0.25
Phase thickness (μm)			0.25
T_start (C)	60.	40.	60.	70.	80.
T_end (C)	240.	240.	300.	250.	240.
Heat rate (K/min)	4.	3.	8.	2.	3.
Initial hold (min)					5.
Final hold (min)			15.
I	1665.	1675.	1660.	1655.	1681.
Reference	Zunino, Novillo-Newton, et al., 1997	Zygadlo, Ariza-Espinar, et al., 1997	Malizia, Molli, et al., 1996	Orav, Kailas, et al., 1996	Shuichi, Masazumi, et al., 1996
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	DB-Wax	Supelcowax-10	PEG-20M	DB-Wax	DB-Wax
Column length (m)	60.	60.	60.	60.	60.
Carrier gas	He	He	He	He
Substrate
Column diameter (mm)	0.25	0.25	0.32	0.25	0.32
Phase thickness (μm)	0.25	0.25	0.25	0.25	0.5
T_start (C)	50.	40.	70.	50.	50.
T_end (C)	180.	200.	180.	180.	225.
Heat rate (K/min)	2.5	3.	2.	2.5	2.
Initial hold (min)	5.	3.	7.	5.
Final hold (min)		30.
I	1699.	1675.	1673.	1641.	1655.
Reference	Stashenko, Puertas, et al., 1996	Wong and Lai, 1996	Orav, Kuningas, et al., 1995	Stashenko, Torres, et al., 1995	Sagrero-Nieves, Bartley, et al., 1994
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	DB-Wax	DB-Wax	DB-Wax	Carbowax 20M	DB-Wax
Column length (m)	60.	60.	60.	45.	60.
Carrier gas	Helium	He	He	Hydrogen
Substrate
Column diameter (mm)	0.32	0.25	0.25	0.32	0.32
Phase thickness (μm)		0.25	0.25	1.0
T_start (C)	60.	50.	50.	60.	50.
T_end (C)	220.	230.	230.	200.	230.
Heat rate (K/min)	3.	2.	2.	2.	4.
Initial hold (min)		4.	4.	5.
Final hold (min)					10.
I	1665.	1667.	1667.	1648.	1665.
Reference	Everaerts, Roisin, et al., 1993	Shimoda, Shiratsuchi, et al., 1993	Shimoda, Shiratsuchi, et al., 1993	Kollmannsberger, Nitz, et al., 1992	Binder, Benson, et al., 1990
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	DB-Wax	DB-Wax	Supelcowax-10	DB-Wax	DB-Wax
Column length (m)	60.	60.	60.	30.	60.
Carrier gas			He
Substrate
Column diameter (mm)	0.32	0.32	0.32	0.32	0.32
Phase thickness (μm)
T_start (C)	50.	50.	60.	70.	50.
T_end (C)	230.	230.	220.	200.	250.
Heat rate (K/min)	4.	4.	2.	4.	4.
Initial hold (min)			1.	2.	0.1
Final hold (min)	10.	10.			5.
I	1665.	1665.	1696.	1693.	1665.
Reference	Binder, Turner, et al., 1990	Binder, Turner, et al., 1990, 2	Loughrin, Hamilton-Kemp, et al., 1990	Wyllie, Brophy, et al., 1990	Binder and Flath, 1989
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	FFAP	Carbowax 20M	Supelcowax-10	Carbowax 20M	Carbowax 20M
Column length (m)	50.	50.	30.	150.	25.
Carrier gas		H2
Substrate
Column diameter (mm)		0.32		0.66	0.30
Phase thickness (μm)		0.15
T_start (C)	50.	70.	50.	60.	40.
T_end (C)	180.	210.	240.	170.	220.
Heat rate (K/min)	10.	2.	4.	1.	2.
Initial hold (min)	1.		2.	40.	5.
Final hold (min)			10.
I	1688.	1654.	1672.	1640.	1658.
Reference	Brophy, Davies, et al., 1989	Gaydou, Faure, et al., 1989	Ramaswami, Briscese, et al., 1988	Buttery, Ling, et al., 1987	Nykanen, 1986
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	DB-Wax	Supelcowax-10	BP-20	Carbowax 20M	Carbowax 20M
Column length (m)	30.	30.	25.	50.	150.
Carrier gas	H2	He
Substrate
Column diameter (mm)	0.25		0.2	0.32	0.64
Phase thickness (μm)	0.25
T_start (C)	50.	50.	70.	70.	50.
T_end (C)	250.	240.	180.	180.	170.
Heat rate (K/min)	5.	4.	3.	2.	1.
Initial hold (min)		2.	5.		30.
Final hold (min)		10.
I	1659.	1672.	1682.	1620.	1642.
Reference	Perry, Baxter, et al., 1986	Ramaswami, Briscese, et al., 1986	MacLeod and Snyder, 1985	Tressl, Engel, et al., 1983	Buttery, Parker, et al., 1981
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary
Active phase	Carbowax 20M	Carbowax 20M
Column length (m)	100.	100.
Carrier gas
Substrate
Column diameter (mm)	0.25	0.25
Phase thickness (μm)
T_start (C)	70.	70.
T_end (C)	170.	170.
Heat rate (K/min)	1.	1.
Initial hold (min)
Final hold (min)
I	1691.	1693.
Reference	Shibamoto and Jennings, 1977	Shibamoto and Jennings, 1977
Comment	MSDC-RI	MSDC-RI

References

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

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Rohloff, J.; Bones, A.M., Volatile profiling of Arabidopsis thaliana - Putative olfactory compounds in plant communication, Phytochemistry, 2005, 66, 16, 1941-1955, https://doi.org/10.1016/j.phytochem.2005.06.021 . [all data]

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Ramaswami, S.K.; Briscese, P.; Gargiullo, R.J.; von Geldern, T., Sesquiterpene hydrocarbons: from mass confusion to orderly line-up in Flavors and Fragrances: A World Perspective, Lawrence,B.M.; Mookherjee,B.D.; Willis,B.J., ed(s)., Proceedings of the 10th International Congress of Essential Oils, Fragrances, and Flavors, Washington, DC, 1986, 951-959. [all data]

MacLeod and Snyder, 1985
MacLeod, A.J.; Snyder, C.H., Volatile components of two cultivars of mango from Florida, J. Agric. Food Chem., 1985, 33, 3, 380-384, https://doi.org/10.1021/jf00063a015 . [all data]

Tressl, Engel, et al., 1983
Tressl, R.; Engel, K.-H.; Kossa, M.; Köppler, H., Characterization of tricyclic sesquiterpenes in hop (Humulus lupulus, var. Hersbrucker Spät), J. Agric. Food Chem., 1983, 31, 4, 892-897, https://doi.org/10.1021/jf00118a056 . [all data]

Buttery, Parker, et al., 1981
Buttery, R.G.; Parker, F.D.; Teranishi, R.; Mon, T.R.; Ling, L.C., Volatile components of alfalfa leaf-cutter bee cells, J. Agric. Food Chem., 1981, 29, 5, 955-958, https://doi.org/10.1021/jf00107a017 . [all data]

Shibamoto and Jennings, 1977
Shibamoto, T.; Jennings, W.G., The volatile composition of the leaf oil of California Juniper (J. californica Carr.) in Proceedings of VII International Congress of Essential Oils, October 7-11, 1977, Kyoto, Japan, 1977, 413-418. [all data]

Notes

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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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