α-Farnesene

Formula: C₁₅H₂₄
Molecular weight: 204.3511
IUPAC Standard InChI: InChI=1S/C15H24/c1-6-14(4)10-8-12-15(5)11-7-9-13(2)3/h6,9-10,12H,1,7-8,11H2,2-5H3/b14-10+,15-12+
IUPAC Standard InChIKey: CXENHBSYCFFKJS-VDQVFBMKSA-N
CAS Registry Number: 502-61-4
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.
Species with the same structure:
- (E,E)-α-Farnesene
Stereoisomers:
Other names: 1,3,6,10-Dodecatetraene, 3,7,11-trimethyl-, (E,E)-; Farnesene; 2,6,10-Trimethyl-2,6,9,11-dodecatetraene, trans-; 3,7,11-Trimethyl-1,3,6,10-dodecatetraene, (trans,trans)-; (3E,6E)-3,7,11-Trimethyldodeca-1,3,6,10-tetraene; α-E,E-Farnesene; α-Farnesene, (E,E)-; α-trans-Farnesene; α-trans,trans-Farnesene; (3E,6E)- α-Farnesene; (E,E)-α-Farnesene; alpha-Farnesene; trans-α-Farnesene; trans,trans-α-Farnesene; 1,3,6,10-Dodecatetraene, 3,7,11-trimethyl-, (3E,6E)-; trans-2,6,10-Trimethyl-2,6,9,11-dodecatetraene; trans-3,7,11-Trimethyl-1,3,6,10-dodecatetraene; (E,E)-Farnesene; E,α-Farnesene; (E; E)-α-farnesene; α-Farnesene, (Z,E)-; 3,7,11-Trimethyl-1,3,6,10-dodecatetraene; E,E-α,α-farnesene; (E,E)-α-Fernesene; (E)-3, (E)-6-α-farnesene; α-farnesene (E); 2,6,10-trimethyldodeca-2,6,9,11-tetraene
Information on this page:
Other data available:
- Mass spectrum (electron ionization)
- Gas Chromatography
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Normal alkane RI, non-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	HP-5 MS	OV-1	HP-5	HP-5 MS	HP-5 MS
Column length (m)	30.	30.	30.	30.	30.
Carrier gas	Helium	Helium	Hydrogen	Helium	Hydrogen
Substrate
Column diameter (mm)	0.25	0.25	0.25	0.25	0.25
Phase thickness (μm)	0.25	0.25	0.25	0.25	0.25
T_start (C)	60.	50.	70.	60.	30.
T_end (C)	230.	250.	290.	250.	230.
Heat rate (K/min)	3.	5.	5.	2.	8.
Initial hold (min)		3.		8.	5.
Final hold (min)		2.		15.	10.
I	1515.	1496.	1511.	1509.	1545.
Reference	Pripdeevech and Saansoomchai, 2013	Hu, Liang, et al., 2010	Radulovic, Dordevic, et al., 2010	Farhat, Ginies, et al., 2009	Karlsson, Birgersson, et al., 2009
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	HP-5 MS	DB-5 MS	VF-5	RTX-1	RTX-1
Column length (m)	30.	30.	30.	60.	60.
Carrier gas	Helium	Helium	Helium	Helium	Helium
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)	35.	50.	60.	60.	60.
T_end (C)	195.	250.	300.	230.	230.
Heat rate (K/min)	2.	2.	10.	2.	2.
Initial hold (min)	5.	5.	2.
Final hold (min)	30.		10.	30.	30.
I	1506.	1504.	1508.	1498.	1499.
Reference	Kim and Chung, 2009	Koba, Sanda, et al., 2009	Li and Zhao, 2009	Museli, Pau, et al., 2009	Museli, Pau, et al., 2009
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	HP-5 MS	DB-5 MS	HP-5	Ultra 2	DB-5
Column length (m)	30.	30.	30.	50.	25.
Carrier gas	Helium	Helium	Helium	Helium	Nitrogen
Substrate
Column diameter (mm)	0.25	0.25	0.25	0.20	0.22
Phase thickness (μm)	0.25	0.25	0.25	0.11	0.25
T_start (C)	40.	50.	50.	60.	50.
T_end (C)	250.	220.	280.	230.	300.
Heat rate (K/min)	4.	3.	9.	2.	6.5
Initial hold (min)	2.	2.	3.	5.	2.
Final hold (min)	5.	70.	3.	30.	7.
I	1506.	1501.	1508.	1459.	1499.
Reference	Raffo, Kelderer, et al., 2009	Shimizu, Imayoshi, et al., 2009	Aicha, Ines, et al., 2008	Byun and Shin, 2008	Chieng, Assim, et al., 2008
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	DB-5 MS	DB-5 MS	DB-5	HP-5MS	HP-5MS
Column length (m)	30.	30.	50.	30.	30.
Carrier gas	Helium	Helium	Nitrogen	He	He
Substrate
Column diameter (mm)	0.25	0.25	0.20	0.25	0.25
Phase thickness (μm)	0.25	0.25	0.32	0.25	0.25
T_start (C)	50.	50.	60.	60.	60.
T_end (C)	300.	300.	220.	280.	280.
Heat rate (K/min)	5.	5.	5.	3.	3.
Initial hold (min)	5.	5.	3.
Final hold (min)	5.	5.	5.
I	1504.	1508.	1506.	1491.	1509.
Reference	Noudogbessi, Yedomonhan, et al., 2008	Noudogbessi, Yedomonhan, et al., 2008	Amiri, 2007	Basta, Pavlovic, et al., 2007	Bozin B., Mlmica-Dukic N., et al., 2007
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	RTX-5 MS	HP-5	ZP-5	RTX-5Sil MS	DB-5
Column length (m)	30.	30.	60.	30.	30.
Carrier gas	He	Helium	He	He	He
Substrate
Column diameter (mm)	0.25	0.25	0.25	0.25	0.25
Phase thickness (μm)	0.25	0.26	0.25	0.25	0.25
T_start (C)	60.	60.	40.	50.	60.
T_end (C)	200.	240.	260.	260.	240.
Heat rate (K/min)	2.	4.	6.	5.	2.
Initial hold (min)	2.	2.	7.	2.
Final hold (min)	10.	20.	1.	10.
I	1509.	1510.	1508.	1504.	1500.
Reference	Edris, Chizzola, et al., 2007	Farsam, Amanlou, et al., 2007	Füssel, Dötterl, et al., 2007	Matasyoh, Matasyoh, et al., 2007	Miyazawa and Tamura, 2007
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	DB-1	SPB-5	BPX-5	BPX-5	HP-5
Column length (m)	50.	30.	50.	50.	30.
Carrier gas	He	He	He	He	Helium
Substrate
Column diameter (mm)	0.25	0.25	0.22	0.22	0.25
Phase thickness (μm)	0.25	0.25		1.	0.25
T_start (C)	95.	50.	50.	50.	40.
T_end (C)	240.	250.	300.	300.	260.
Heat rate (K/min)	4.	2.	4.	4.	4.
Initial hold (min)			1.	1.
Final hold (min)			10.	10.
I	1503.	1493.	1516.	1516.	1503.
Reference	Pala-Paul, Brophy, et al., 2007	Raal, Orav, et al., 2007	Rali, Wossa, et al., 2007	Rali, Wossa, et al., 2007, 2	Ristic, Krivokuca-Dokic, 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	Elite-5MS	HP-5 MS	HP-5MS	HP-5 MS
Column length (m)	30.	30.	30.	30.	30.
Carrier gas		He	Helium	He	Helium
Substrate
Column diameter (mm)	0.25	0.32	0.25	0.25	0.25
Phase thickness (μm)	0.25	0.5	0.25	0.25	0.25
T_start (C)	40.	40.	60.	60.	60.
T_end (C)	250.	280.	280.	280.	280.
Heat rate (K/min)	2.	4.	3.	3.	3.
Initial hold (min)		5.
Final hold (min)	33.	10.
I	1502.	1510.	1509.	1463.	1506.
Reference	Sylvestre, Pichette, et al., 2007	Tava, Pecetti, et al., 2007	Tsokou, Georgopoulos, et al., 2007	Tzakou, Bazos, et al., 2007	Vagionas, Graikou, et al., 2007
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	DB-5	HP-5	AT-5	HP-5MS	BP-1
Column length (m)	30.	60.	60.	30.	50.
Carrier gas	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.	60.	60.
T_end (C)	300.	250.	200.	280.	220.
Heat rate (K/min)	3.	3.	4.	4.	2.
Initial hold (min)
Final hold (min)			20.		20.
I	1499.	1509.	1509.	1506.	1501.
Reference	Apel, Sobral, et al., 2006	Bertrand, Comte, et al., 2006	Borges, Rojas, et al., 2006	Ebrahim Sajjadi and Mehregan, 2006	Fanciullino, Tomi, 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-5	CP Sil 5 CB	HP-5	DB-1
Column length (m)	30.	30.	30.	30.	60.
Carrier gas	He			Helium
Substrate
Column diameter (mm)	0.25	0.25	0.25	0.32	0.25
Phase thickness (μm)	0.25	0.25	0.25	0.25	0.25
T_start (C)	50.	40.	40.	60.	70.
T_end (C)	300.	210.	220.	260.	230.
Heat rate (K/min)	5.	2.	3.	5.	2.
Initial hold (min)	5.	2.		2.	2.
Final hold (min)	5.	33.	3.	13.	20.
I	1502.	1516.	1506.	1509.	1493.
Reference	Figuérédo, Cabassu, et al., 2006	Garneau F.X., Collin G., et al., 2006	Hymete, Rohloff, et al., 2006	Kucuk, Gulec, et al., 2006	Lan Phi N.T., Nishiyama C., et al., 2006
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	CP Sil 8 CB	CP Sil 5 CB	DB-5	DB-5	DB-5
Column length (m)	30.	30.	30.	30.	30.
Carrier gas		N2		He	He
Substrate
Column diameter (mm)	0.25	0.32	0.25	0.32	0.25
Phase thickness (μm)	0.25	0.25	0.25	0.25	0.25
T_start (C)	40.	50.	50.	60.	60.
T_end (C)	250.	300.	265.	280.	200.
Heat rate (K/min)	3.	4.	2.5	5.	2.
Initial hold (min)	5.		0.5	0.5
Final hold (min)	20.			2.	60.
I	1504.	1498.	1516.	1511.	1513.
Reference	Li, Lee, et al., 2006	Lis and Milczarek, 2006	Nickavar B., Kamalinejad M., et al., 2006	Ozel, Gogus, et al., 2006	Rout, Naik, 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	FSOT-RSL-200	DB-5	DB-5	HP-5MS
Column length (m)	30.	30.	15.	30.	30.
Carrier gas	He	Hydrogen	He	He	He
Substrate
Column diameter (mm)	0.25	0.32	0.2	0.25	0.25
Phase thickness (μm)	0.25	0.25	0.25	0.25	0.25
T_start (C)	60.	40.	60.	40.	60.
T_end (C)	200.	280.	305.	260.	280.
Heat rate (K/min)	2.	6.	15.	2.	3.
Initial hold (min)		5.	2.	5.	5.
Final hold (min)	60.	5.		20.
I	1507.	1508.	1505.	1507.	1507.
Reference	Rout, Naik, et al., 2006	Schmidt, Jirovetz, et al., 2006	Sebastián, Urzúa, et al., 2006	Senatore, Landolfi, et al., 2006	Setzer, Noletto, et al., 2006
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	SPB-5	HP-5MS	BPX-5	DB-5	ZB-5
Column length (m)	60.	30.	50.	50.	60.
Carrier gas	He	He			He
Substrate
Column diameter (mm)	0.32	0.25	0.22	0.3	0.25
Phase thickness (μm)	1.	0.25	1.	0.25	0.25
T_start (C)	40.	60.	70.	60.	40.
T_end (C)	230.	280.	280.	240.	250.
Heat rate (K/min)	3.	3.	4.	2.	6.
Initial hold (min)	5.				7.
Final hold (min)	2.		4.		1.
I	1528.	1498.	1518.	1502.	1512.
Reference	Tornambe, Cornu, et al., 2006	Tzakou, Said, et al., 2006	Wohlmuth, Smith, et al., 2006	Chagonda and Chalchat, 2005	Dötterl, Wolfe, et al., 2005
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	RTX-5Sil	HP-5	CP Sil 5 CB	CP Sil 5 CB	HP-5MS
Column length (m)	30.	25.	25.	30.	30.
Carrier gas	He	H2		He	He
Substrate
Column diameter (mm)	0.25	0.32	0.25	0.25	0.25
Phase thickness (μm)	0.25	0.52	0.15	0.25	0.25
T_start (C)	45.	40.	50.	40.	60.
T_end (C)	200.	240.	230.	220.	280.
Heat rate (K/min)	3.	4.	3.	4.	4.
Initial hold (min)	5.			1.
Final hold (min)
I	1493.	1500.	1503.	1506.	1506.
Reference	Holland, Larkov, et al., 2005	Jovanovic, Kitic, et al., 2005	Olawore, Ogunwande, et al., 2005	Rohloff and Bones, 2005	Sajjadi S.E. and Eskandari B., 2005
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	SPB-1	CP Sil 5 CB
Column length (m)	30.	30.	30.	50.	30.
Carrier gas	He	He	He	He	N2
Substrate
Column diameter (mm)	0.25	0.25	0.25	0.2	0.25
Phase thickness (μm)	0.25	0.25	0.25	0.33	0.25
T_start (C)	60.	40.	60.	50.	50.
T_end (C)	275.	260.	280.	220.	200.
Heat rate (K/min)	4.	2.	3.	4.	5.
Initial hold (min)		5.	5.	3.
Final hold (min)		20.		30.
I	1507.	1502.	1511.	1523.	1501.
Reference	Sajjadi and Ghannadi, 2005	Senatore, Apostolides Arnold, et al., 2005	Setzer, Noletto, et al., 2005	Wong and Tan, 2005	Agnaniet, Menut, et al., 2004
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	HP-1	DB-5	DB-1	ZB-5	DB-5
Column length (m)	50.	30.	30.	60.	30.
Carrier gas	N2	He	N2	He	He
Substrate
Column diameter (mm)	0.2	0.25	0.25	0.25	0.25
Phase thickness (μm)	0.33	0.25	0.25	0.25	0.25
T_start (C)	60.	60.	50.	40.	60.
T_end (C)	250.	240.	200.	260.	300.
Heat rate (K/min)	2.	2.	5.	6.	3.
Initial hold (min)				4.6
Final hold (min)	20.			1.
I	1473.	1506.	1482.	1514.	1503.
Reference	Cavalli, Fernandez, et al., 2004	Cicció, 2004	Fekam Boyom, Fotio, et al., 2004	Jürgens and Dötterl, 2004	Limberger, Sobral, et al., 2004
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	RTX-1	NB-30	NB-30	DB-5	NB-30
Column length (m)	30.	50.	50.	30.	50.
Carrier gas	N2	He	He	He	He
Substrate
Column diameter (mm)	0.32	0.2	0.2	0.25	0.20
Phase thickness (μm)	0.25	0.25	0.25	0.25	0.25
T_start (C)	60.	50.	50.	35.	50.
T_end (C)	300.	250.	250.	220.	250.
Heat rate (K/min)	4.	2.	2.	3.	2.
Initial hold (min)
Final hold (min)
I	1498.	1503.	1503.	1503.	1497.
Reference	Lis, Boczek, et al., 2004	Orav, Stulova, et al., 2004	Orav, Stulova, et al., 2004	Palá-Paúl, Brophy, et al., 2004	Raal, Paaver, 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 MS	DB-5	DB-5	HP-5
Column length (m)	60.	30.	30.	30.	30.
Carrier gas	He	Helium	He	He	N2
Substrate
Column diameter (mm)	0.25	0.25	0.25	0.25	0.25
Phase thickness (μm)	0.25	0.25	0.25	0.25	0.25
T_start (C)	60.	60.	40.	60.	60.
T_end (C)	200.	200.	250.	300.	220.
Heat rate (K/min)	4.	4.	2.	3.	5.
Initial hold (min)	1.	1.	5.		10.
Final hold (min)	20.	20.	20.
I	1500.	1500.	1511.	1506.	1505.
Reference	Rojas, Usubillaga, et al., 2004	Royas, Usubillaga, et al., 2004	Senatore, Rigano, et al., 2004	Tirillini, Pellegrino, et al., 2004	Bertoli, Menichini, et al., 2003
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	HP-1	DB-1	RSL-200	CP Sil 5 CB	DB-5MS
Column length (m)	30.	30.	30.	25.	30.
Carrier gas	He	N2	H2	He	He
Substrate
Column diameter (mm)	0.25	0.25	0.32	0.25	0.25
Phase thickness (μm)	0.25	0.25	0.25	0.25	0.25
T_start (C)	70.	50.	40.	35.	60.
T_end (C)	200.	200.	280.	280.	240.
Heat rate (K/min)	10.	5.	6.	5.	3.
Initial hold (min)			5.	2.5
Final hold (min)			5.
I	1490.	1499.	1499.	1497.	1509.
Reference	Fekam Boyom, Amvam Zollo, et al., 2003	Fekam Boyom, Ngouana, et al., 2003	Jirovetz, Buchbauer, et al., 2003	Kanjilal, Kotoky, et al., 2003	Maia, Taveira, 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	NB-30	HP-5	DB-1
Column length (m)	30.	30.	50.	60.	60.
Carrier gas	Helium	He	He		N2
Substrate
Column diameter (mm)	0.32	0.25	0.2	0.25	0.25
Phase thickness (μm)		0.25	0.5	0.25	0.25
T_start (C)	70.	60.	50.	40.	70.
T_end (C)	210.	280.	250.	250.	230.
Heat rate (K/min)	2.	3.	2.	5.	2.
Initial hold (min)				15.	2.
Final hold (min)	60.				20.
I	1508.	1485.	1495.	1509.	1518.
Reference	Mookdasanit, Tamura, et al., 2003	Pitarokili, Tzakou, et al., 2003	Raal, Arak, et al., 2003	Stashenko, Jaramillo, et al., 2003	Tu, Onishi, 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	SPB-1	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	0.249	0.249
Phase thickness (μm)	0.25	0.25	0.25	0.25	0.25
T_start (C)	40.	40.	40.	60.	60.
T_end (C)	200.	200.	200.	300.	300.
Heat rate (K/min)	3.	3.	3.	3.	3.
Initial hold (min)	10.	10.	10.
Final hold (min)				5.	5.
I	1493.	1486.	1491.	1505.	1491.
Reference	Vichi, Castellote, et al., 2003	Vichi, Pizzale, et al., 2003	Vichi, Pizzale, et al., 2003, 2	Bos, Koulman, et al., 2002	Bos, Koulman, et al., 2002
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	DB-5MS	DB-5MS	BP-1	DB-5	DB-1
Column length (m)	30.	30.	25.	30.	30.
Carrier gas	He	He	N2	He	H2
Substrate
Column diameter (mm)	0.25	0.25	0.50	0.25	0.32
Phase thickness (μm)	0.25	0.25	0.25	0.25	0.25
T_start (C)	60.	60.	60.	60.	40.
T_end (C)	280.	280.	220.	240.	245.
Heat rate (K/min)	3.	3.	5.	3.	3.
Initial hold (min)					20.
Final hold (min)			10.
I	1508.	1508.	1495.	1462.	1493.
Reference	Congiu, Falconieri, et al., 2002	Congiu, Falconieri, et al., 2002	Das, Ram, et al., 2002	Flamini, Ertugrul, et al., 2002	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	HP-5	RSL-200	CP Sil 8 CB	DB-5	DB-5MS
Column length (m)	30.	30.	30.	30.	30.
Carrier gas	He	H2	He	He	He
Substrate
Column diameter (mm)	0.25	0.32	0.25	0.25	0.25
Phase thickness (μm)	0.25	0.25	0.25	0.25	0.25
T_start (C)	60.	40.	50.	60.	60.
T_end (C)	275.	280.	220.	240.	240.
Heat rate (K/min)	4.	6.	3.	3.	3.
Initial hold (min)		5.	2.
Final hold (min)		5.
I	1509.	1500.	1510.	1510.	1510.
Reference	Ghannadi, Sajjadi, et al., 2002	Jirovetz, Buchbauer, et al., 2002	Juteau, Masotti, et al., 2002	Maia, da Silva, et al., 2002	Maia, Zoghbi, 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	DB-5	DB-5	DB-5	HP-5
Column length (m)	25.	25.	30.	30.	30.
Carrier gas	He	He	He	He	N2
Substrate
Column diameter (mm)	0.25	0.2	0.25	0.25	0.25
Phase thickness (μm)	0.39		0.25	0.25	0.25
T_start (C)	60.	60.	60.	60.	60.
T_end (C)	220.	220.	240.	240.	220.
Heat rate (K/min)	5.	3.	3.	3.	5.
Initial hold (min)					10.
Final hold (min)
I	1495.	1507.	1508.	1510.	1509.
Reference	Mojab, Rustaiyan, et al., 2002	Schwob, Bessière, et al., 2002	Tellez, Khan, et al., 2002	Zoghbi, Andrade, et al., 2002	Campeol, Flamini, et al., 2001
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	SPB-5	RSL-200	CBP-1	DB-5MS	OV-101
Column length (m)	60.	30.	25.	30.	50.
Carrier gas	He	H2	Nitrogen	He	He
Substrate
Column diameter (mm)	0.32	0.32	0.25	0.25	0.2
Phase thickness (μm)		0.25	0.25	0.25	0.5
T_start (C)	40.	40.	50.	60.	50.
T_end (C)	220.	280.	210.	240.	250.
Heat rate (K/min)	3.	6.	3.	3.	2.
Initial hold (min)	5.	5.	2.
Final hold (min)	15.	5.		30.
I	1509.	1492.	1518.	1484.	1485.
Reference	Cornu, Carnat, et al., 2001	Jirovetz L., Buchbauer G., et al., 2001	Ly, Yamauchi, et al., 2001	Marongiu, Porcedda, et al., 2001	Orav, Kailas, et al., 2001
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	DB-1	SPB-1	OV-101	DB-1	DB-1
Column length (m)	30.	30.	50.	60.	33.
Carrier gas	He	He	N2	N2	N2
Substrate
Column diameter (mm)	0.2	0.32	0.25	0.25	0.25
Phase thickness (μm)		0.25		0.25	0.50
T_start (C)	60.	50.	80.	60.	50.
T_end (C)	240.	250.	200.	220.	135.
Heat rate (K/min)	3.	2.	2.	3.	20.
Initial hold (min)				5.	2.
Final hold (min)				22.
I	1509.0	1488.	1495.	1533.	1499.
Reference	Santos, Moreira, et al., 2001	Vijayanand, Rao, et al., 2001	Yang, 2001	Bailac, Dellacasa, et al., 2000	Feger, Brandauer, et al., 2000
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	SPB-5	DB-5	RTX-1	DB-1	OV-101
Column length (m)	60.	30.	30.	25.	25.
Carrier gas	He	He	N2	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
T_start (C)	70.	60.	60.	50.	50.
T_end (C)	240.	240.	300.	290.	200.
Heat rate (K/min)	5.	3.	4.	4.	5.
Initial hold (min)	8.
Final hold (min)	20.
I	1510.	1508.	1499.	1505.	1491.
Reference	Kim, Kim, et al., 2000	Maia, Zoghbi, et al., 2000	Kalemba, 1999	Koulman, 1999	Kuiate, Zollo, 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	DB-5MS	DB-5MS	SE-30	CBP-1
Column length (m)	30.	30.	30.	25.	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
T_start (C)	60.	60.	60.	60.	60.
T_end (C)	240.	240.	240.	180.	240.
Heat rate (K/min)	3.	3.	3.	3.	4.
Initial hold (min)				10.
Final hold (min)
I	1508.	1510.	1507.	1499.	1485.
Reference	Tellez, Canel, et al., 1999	Zoghbi, Andrade, et al., 1999	Zoghbi, Andrade, et al., 1999	Jantan, Ahmad, et al., 1998	Lamarque, Maestri, et al., 1998
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-1	OV-101	OV-101
Column length (m)	30.	25.	60.	25.	50.
Carrier gas	He	He	He		He
Substrate
Column diameter (mm)	0.25	0.2	0.25	0.32	0.25
Phase thickness (μm)	0.25	0.33	0.25
T_start (C)	60.	70.	50.	50.	50.
T_end (C)	240.	290.	280.	200.	250.
Heat rate (K/min)	3.	3.	4.	5.	2.
Initial hold (min)		8.	5.
Final hold (min)		20.
I	1510.	1508.	1484.	1500.	1488.
Reference	Maia, Zohhbi, et al., 1998	Poiana, Sicari, et al., 1998	Stashenko, Cervantes, et al., 1998	Zollo, Biyiti, et al., 1998	Orav, Kailas, et al., 1996
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	DB-1	HP-5	HP-5	HP-5	DB-1
Column length (m)	60.				60.
Carrier gas	He				He
Substrate
Column diameter (mm)	0.25				0.32
Phase thickness (μm)	0.25				0.25
T_start (C)	50.	35.	35.	35.	80.
T_end (C)	250.	200.	200.	200.	210.
Heat rate (K/min)	2.5	6.	6.	6.	4.
Initial hold (min)	5.	2.	2.	2.
Final hold (min)
I	1507.	1515.	1527.	1516.	1492.
Reference	Stashenko, Puertas, et al., 1996	Larsen and Frisvad, 1995	Larsen and Frisvad, 1995	Larsen and Frisvad, 1995	Nishimura, 1995
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	DB-1	Methyl Silicone	Methyl Silicone	SE-54	OV-101
Column length (m)	60.	50.	50.	30.	50.
Carrier gas	He	N2	N2	Hydrogen	N2
Substrate
Column diameter (mm)	0.25	0.25	0.25	0.25	0.25
Phase thickness (μm)	0.25	0.17	0.17	0.25
T_start (C)	50.	80.	80.	60.	80.
T_end (C)	250.	200.	200.	250.	200.
Heat rate (K/min)	3.5	2.	3.	2.	2.
Initial hold (min)	5.			5.
Final hold (min)				2.
I	1496.	1494.	1492.	1507.	1494.
Reference	Stashenko, Torres, et al., 1995	Gopalakrishnan, Menon, et al., 1993	Gopalakrishnan, Menon, et al., 1993	Kollmannsberger, Nitz, et al., 1992	Yang and Sugisawa, 1990
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	OV-101	DB-1	OV-101	OV-101	OV-1
Column length (m)	50.	60.	50.	50.	50.
Carrier gas	N2		N2	N2	He
Substrate
Column diameter (mm)	0.25	0.32	0.25	0.25	0.20
Phase thickness (μm)					0.20
T_start (C)	80.	50.	80.	80.	30.
T_end (C)	200.	250.	200.	200.	220.
Heat rate (K/min)	2.	4.	2.	2.	2.
Initial hold (min)		0.1
Final hold (min)		5.
I	1495.	1495.	1495.	1503.	1494.
Reference	Yang and Sugisawa, 1990	Binder and Flath, 1989	Sugisawa, Yang, et al., 1989	Sugisawa, Yang, et al., 1989	de Pooter, Nicolai, et al., 1988
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	SE-30	OV-3	OV-101	OV-101	OV-101
Column length (m)	30.	150.	50.	30.	30.
Carrier gas		He		He	He
Substrate
Column diameter (mm)		0.66	0.30	0.5	0.5
Phase thickness (μm)				0.8	0.8
T_start (C)	50.	30.	40.	40.	40.
T_end (C)	240.	170.	230.	220.	220.
Heat rate (K/min)	4.	1.	3.5	2.	2.
Initial hold (min)	2.		5.
Final hold (min)	10.
I	1494.	1520.	1495.	1494.	1495.
Reference	Ramaswami, Briscese, et al., 1988	Buttery, Flath, et al., 1986	Nykanen, 1986	De Pooter and Schamp, 1986	De Pooter and Schamp, 1986
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary
Active phase	SE-30	OV-3
Column length (m)	30.	150.
Carrier gas
Substrate
Column diameter (mm)		0.66
Phase thickness (μm)
T_start (C)	50.	20.
T_end (C)	240.	170.
Heat rate (K/min)	4.	1.
Initial hold (min)	2.
Final hold (min)	10.
I	1494.	1520.
Reference	Ramaswami, Briscese, et al., 1986	Buttery, Xu, et al., 1985
Comment	MSDC-RI	MSDC-RI

References

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

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Kalemba, 1999
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Koulman, 1999
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Kuiate, Zollo, et al., 1999
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Tellez, Canel, et al., 1999
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Jantan, Ahmad, et al., 1998
Jantan, I.; Ahmad, A.S.; Bakar, S.A.A.; Ahmad, A.R.; Trockenbrodt, M.; Chak, C.V., Constituents of the essential oil of Baeckea frutescens L. from Malaysia, Flavour Fragr. J., 1998, 13, 4, 245-247, https://doi.org/10.1002/(SICI)1099-1026(1998070)13:4<245::AID-FFJ736>3.0.CO;2-J . [all data]

Lamarque, Maestri, et al., 1998
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Maia, Zohhbi, et al., 1998
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Poiana, Sicari, et al., 1998
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Binder and Flath, 1989
Binder, R.G.; Flath, R.A., Volatile components of pineapple guava, J. Agric. Food Chem., 1989, 37, 3, 734-736, https://doi.org/10.1021/jf00087a034 . [all data]

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de Pooter, H.L.; Nicolai, B.; De Laet, J.; De Buyck, L.F.; Schamp, N.M.; Goetghebeur, P., The Essential Oils of Five Nepeta Species. A Preliminary Evaluation of their Use in Chemotaxonomy by Cluster Analysis, Flavour Fragr. J., 1988, 3, 4, 155-159, https://doi.org/10.1002/ffj.2730030404 . [all data]

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Buttery, Flath, et al., 1986
Buttery, R.G.; Flath, R.A.; Mon, T.R.; Ling, L.C., Identification of germacrene D in walnut and fig leaf volatiles, J. Agric. Food Chem., 1986, 34, 5, 820-822, https://doi.org/10.1021/jf00071a013 . [all data]

Nykanen, 1986
Nykanen, I., High Resolution Gas Chromatographic - Mass Spectrometric determination of the Flavour Composition of Wild Majoram (Origanum vulgare L.) Cultivated in Finland, Z. Lebensm Unters Forsch, 1986, 183, 4, 267-272, https://doi.org/10.1007/BF01087742 . [all data]

De Pooter and Schamp, 1986
De Pooter, H.L.; Schamp, N.M., Comparison of the Volatile Composition of Some Calamintha/Satureja Species, Prog. Essnt. Oil. Res., 1986, 139-150. [all data]

Ramaswami, Briscese, et al., 1986
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]

Buttery, Xu, et al., 1985
Buttery, R.G.; Xu, C.; Ling, L.C., Volatile components of wheat leaves (and stems): Possible insect attractants, J. Agric. Food Chem., 1985, 33, 1, 115-117, https://doi.org/10.1021/jf00061a033 . [all data]

Notes

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

Symbols used in this document:

T_end Final temperature

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