Caryophyllene

Formula: C₁₅H₂₄
Molecular weight: 204.3511
IUPAC Standard InChI: InChI=1S/C15H24/c1-11-6-5-7-12(2)13-10-15(3,4)14(13)9-8-11/h6,13-14H,2,5,7-10H2,1,3-4H3/b11-6+/t13-,14-/m0/s1
IUPAC Standard InChIKey: NPNUFJAVOOONJE-IOMPXFEGSA-N
CAS Registry Number: 87-44-5
Chemical structure:
This structure is also available as a 2d Mol file
Species with the same structure:
Stereoisomers:
Other names: Bicyclo[7.2.0]undec-4-ene, 4,11,11-trimethyl-8-methylene-, [1R-(1R*,4E,9S*)]-; Bicyclo[7.2.0]undec-4-ene, 4,11,11-trimethyl-8-methylene-, (E)-(1R,9S)-(-)-; β-Caryophyllen; β-Caryophyllene; trans-Caryophyllene; L-Caryophyllene; Bicyclo(7.2.0)undec-4-ene, 8-methylene-4,11,11-trimethyl-, (E)-(1R,9S)-(-)-; 8-Methylene-4,11,11-(trimethyl)bicyclo(7.2.0)undec-4-ene, (1R,4E,9S)-; beta-Caryophyllene; β-(E)-Caryophyllene; β-trans-Caryophyllene; Caryophyllene, (E); E-β-Caryophyllene; (E)-Caryophyllene; trans-β-Caryophyllene; (-)-(E)-Caryophyllene; Caryophyllene B; NSC 11906; t-β-caryophyllene; β-Caryophillene; 4,11,11-Trimethyl-8-methylenebicyclo[7.2.0]undec-4-ene; β-cariofillene; β-caryophellene; bicyclo[7.2.0]undec-4-ene, 4,11,11-trimethyl-8-methylene-[1R-(4E,9S)]; (E)-β-Caryophylene
Information on this page:
Other data available:
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Kovats' 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	DB-5	DB-1	DB-5MS	HP-5MS	HP-5MS
Column length (m)	30.	30.	30.	30.	60.
Carrier gas	He	He	He	He	He
Substrate
Column diameter (mm)	0.26	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.	40.
T_end (C)	246.	280.	180.	280.	250.
Heat rate (K/min)	3.	5.	3.	2.	3.
Initial hold (min)		3.		8.	1.
Final hold (min)			15.	30.	20.
I	1418.	1428.	1415.	1417.	1444.
Reference	Adams, González Elizondo, et al., 2006	Allegrone, Belliardo, et al., 2006	Angioni, Barra, et al., 2006	Hazzit, Baaliouamer, et al., 2006	Jalali-Heravi, Zekavat, 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-1	DB-1	HP-5	BP-1
Column length (m)	30.	60.	25.	25.	25.
Carrier gas	He	He	He		N2
Substrate
Column diameter (mm)	0.25	0.25	0.2	0.2	0.32
Phase thickness (μm)	0.25	0.25		0.33	0.25
T_start (C)	60.	60.	60.	60.	60.
T_end (C)		200.	220.	240.	220.
Heat rate (K/min)	3.	4.	3.	3.	5.
Initial hold (min)		5.	3.
Final hold (min)		25.			13.
I	1420.	1430.	1432.	1419.	1426.
Reference	Lucero, Fredrickson, et al., 2006	Meccia G., Rosquete C., et al., 2006	Mevy, Bessiere, et al., 2006	Oliveira, Leitao, et al., 2006	Raina, Verma, et al., 2006
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	BP-1	DB-5	HP-5MS	SPB-1	DB-5
Column length (m)	30.	30.	30.	30.	30.
Carrier gas	N2		He	He	He
Substrate
Column diameter (mm)	0.32	0.25	0.25	0.32	0.26
Phase thickness (μm)	0.25	0.25	0.25	0.25	0.25
T_start (C)	60.	40.	50.	60.	60.
T_end (C)	220.	210.	240.	240.	246.
Heat rate (K/min)	5.	2.	3.	4.	3.
Initial hold (min)		2.		4.
Final hold (min)	3.	33.		2.
I	1413.	1414.	1451.	1428.	1419.
Reference	Srivastava, Srivastava, et al., 2006	Sylvestre, Pichette, et al., 2006	Tepe, Askin Akpulat, et al., 2006	Walde, Jyothirmayi, et al., 2006	Adams, Morris, et al., 2005
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	DB-5	HP-5MS	BP-5	DB-5MS	DB-5
Column length (m)	30.	30.	50.	30.	30.
Carrier gas	He	He	He	He	Helium
Substrate
Column diameter (mm)	0.26	0.25	0.32	0.25	0.25
Phase thickness (μm)	0.25	0.25	0.25	0.25	0.25
T_start (C)	60.	50.	50.	60.	60.
T_end (C)	246.	250.	260.	240.	255.
Heat rate (K/min)	3.	3.	5.	3.	3.
Initial hold (min)		10.	2.
Final hold (min)		5.	5.
I	1418.	1423.	1423.	1419.	1420.
Reference	Adams and Nguyen, 2005	Asuming, Beauchamp, et al., 2005	Baranauskiene, Venskutonis, et al., 2005	Maia, Andrade, et al., 2005	Medina, Lucero, et al., 2005
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	DB-5	HP-5MS	DB-5	DB-5MS	BPX-5
Column length (m)		30.	30.	30.	25.
Carrier gas		He	He	He	He
Substrate
Column diameter (mm)		0.25	0.25	0.25	0.22
Phase thickness (μm)		0.25	0.25	0.25	0.25
T_start (C)	60.	50.	40.	60.	60.
T_end (C)	240.	240.	230.	180.	240.
Heat rate (K/min)	3.	3.	8.	3.	3.
Initial hold (min)				15.
Final hold (min)			4.
I	1418.	1451.	1429.6	1419.	1427.
Reference	Shatar S., 2005	Tepe, Sokmen, et al., 2005	Ament K., Kant M.R., et al., 2004	Angioni, Barra, et al., 2004	El-Ghorab, Mansour, et al., 2004
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	HP-5MS	HP-5	DB-5	DB-5	CP Sil 5 CB
Column length (m)	30.	30.	25.	30.	25.
Carrier gas	He	He	He	He	H2
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	0.15
T_start (C)	60.	60.	60.	60.	50.
T_end (C)	200.	260.	180.	220.	230.
Heat rate (K/min)	4.	3.	5.	4.	3.
Initial hold (min)	1.		6.	4.
Final hold (min)	15.		15.
I	1416.	1420.	1419.	1418.	1423.
Reference	Juliani, Zygadlo, et al., 2004	Lopes, Strobl, et al., 2004	Merle, Morón, et al., 2004	Morteza-Semnani, Azadbakht, et al., 2004	Ogunwande, Olawore, et al., 2004
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	DB-5MS	DB-5	CP Sil 8 CB	HP-5MS	HP-5MS
Column length (m)	30.	30.	30.	30.	30.
Carrier gas	He	He	H2	He	He
Substrate
Column diameter (mm)	0.25	0.25	0.25	0.32	0.32
Phase thickness (μm)	0.25	0.25	0.25	0.25	0.25
T_start (C)	60.	60.	50.	70.	70.
T_end (C)	240.	300.	220.	250.	250.
Heat rate (K/min)	3.	5.	3.	3.	3.
Initial hold (min)			2.	5.	5.
Final hold (min)
I	1418.	1409.	1431.	1410.	1418.
Reference	Palmeira, Moura, et al., 2004	Santos, Lopes, et al., 2004	Schwob, Bessiere, et al., 2004	Siani, Garrido, et al., 2004	Siani, Garrido, et al., 2004
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	DB-1	DB-5	DB-5	HP-5MS	HP-5
Column length (m)	50.	25.	50.	30.	30.
Carrier gas	N2	He	He	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	1.
T_start (C)	95.	40.	50.	50.	40.
T_end (C)	240.	280.	280.	280.	250.
Heat rate (K/min)	4.	3.	5.	4.	5.
Initial hold (min)		5.	2.	2.	1.
Final hold (min)		5.	10.	10.
I	1418.	1419.	1431.	1428.	1446.
Reference	Velasco-Negueruela, Sanz, et al., 2004	Amparo Blázquez, Pérez, et al., 2003	Baranauskiene, Venskutonis, et al., 2003	Baranauskiene, Venskutonis, et al., 2003, 2	Bouzouita, Kachouri, et al., 2003
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	HP-5MS	DB-5	DB-5	DB-5	CP Sil 5 CB
Column length (m)	30.	30.	30.	30.	25.
Carrier gas	He	He	He	He	He
Substrate
Column diameter (mm)	0.25	0.25	0.25	0.25	0.25
Phase thickness (μm)	0.25	0.25	0.25	0.25	0.15
T_start (C)	60.	60.	60.	60.	50.
T_end (C)	280.		240.	240.	230.
Heat rate (K/min)	3.	3.	3.	3.	3.
Initial hold (min)
Final hold (min)			30.	30.
I	1399.	1420.	1395.	1394.	1423.
Reference	Couladis, Chinou, et al., 2003	Lucero, Estell, et al., 2003	Marongiu, Piras, et al., 2003	Marongiu, Piras, et al., 2003	Ogunwande, Olawore, et al., 2003
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-5	BP-1	DB-5	DB-5
Column length (m)	25.	30.	25.	30.	60.
Carrier gas	H2	He	N2	He	He
Substrate
Column diameter (mm)	0.25	0.25	0.32	0.25	0.32
Phase thickness (μm)	0.15	0.25	0.25	0.25	1.
T_start (C)	50.	60.	60.	50.	40.
T_end (C)	230.	280.	220.	250.	230.
Heat rate (K/min)	3.	3.	5.	0.5	3.
Initial hold (min)				5.	5.
Final hold (min)			15.	10.	2.
I	1423.	1408.	1428.	1420.	1451.
Reference	Ogunwande, Olawore, et al., 2003, 2	Özcan, Tzakou, et al., 2003	Raina, Srivastava, et al., 2003	Viña and Murillo, 2003	Buchin, Salmon, et al., 2002
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	SPB-1	SE-30	HP-5	DB-1	HP-5
Column length (m)	30.	30.	30.	25.	30.
Carrier gas	He	He	He	He	He
Substrate
Column diameter (mm)	0.32	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)	225.	240.	200.	220.	240.
Heat rate (K/min)	2.	4.	4.	3.	3.
Initial hold (min)	3.		1.
Final hold (min)	5.		15.		20.
I	1428.	1419.	1420.	1420.	1418.
Reference	Jayaprakasha, Jena, et al., 2002	Juliani, Koroch, et al., 2002	Juliani and Simon, 2002	Mevy, Bessiere, et al., 2002	Mita, Tsitsimpikou, et al., 2002
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	SE-30	BP-1	BP-1	BP-1	Cross-Linked Methylsilicone
Column length (m)	25.	60.	25.	25.	50.
Carrier gas	He	N2	N2	N2	He
Substrate
Column diameter (mm)	0.22	0.32	0.32	0.55	0.2
Phase thickness (μm)	0.25	0.25	0.25	0.25	0.25
T_start (C)	70.	60.	60.	60.	100.
T_end (C)	220.	220.	220.	220.	280.
Heat rate (K/min)	4.	5.	5.	5.	4.
Initial hold (min)
Final hold (min)			15.	15.
I	1411.	1422.	1428.	1418.	1420.
Reference	Palá-Paúl, Velasco-Negueruela, et al., 2002	Raina, Lal, et al., 2002	Raina, Srivastava, et al., 2002	Raina, Srivastava, et al., 2002, 2	Rajeswara Rao, Kaul, et al., 2002
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	BP-1	BP-1	BP-1	HP-5MS	BP-1
Column length (m)	25.	25.	25.	30.	30.
Carrier gas	N2			He	N2
Substrate
Column diameter (mm)	0.5	0.5	0.5	0.25	0.32
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.	220.	250.	220.
Heat rate (K/min)	5.	5.	5.	3.	5.
Initial hold (min)
Final hold (min)	10.	10.	10.		13.
I	1422.	1422.	1422.	1420.	1412.
Reference	Rajeswara Rao, 2002	Rao B.R.R., 2002	Rao B.R.R., 2002	Salido, Altarejos, et al., 2002	Shawl, Srivastava, 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	HP-5	PTE-5	PTE-5	BP-1
Column length (m)	28.	50.	60.	60.	25.
Carrier gas	He	He	H2	H2	N2
Substrate
Column diameter (mm)	0.25	0.25	0.32	0.32	0.55
Phase thickness (μm)	0.25	0.25	0.39	0.39	0.25
T_start (C)	50.	50.	60.	60.	60.
T_end (C)	270.	250.	285.	285.	220.
Heat rate (K/min)	5.5	2.5	4.3	4.3	5.
Initial hold (min)	1.	5.
Final hold (min)					15.
I	1433.	1422.	1419.	1424.	1420.
Reference	Thangadurai, Anitha, et al., 2002	Yáñez, Pinzón, et al., 2002	Gudzic, Dordevic, et al., 2001	Gudzic, Dordevic, et al., 2001	Jain, Aggarwal, et al., 2001
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	BP-1	HP-5	DB-1	DB-1	HP-1
Column length (m)	25.	25.	28.	50.	50.
Carrier gas	N2	H2	He	N2	He
Substrate
Column diameter (mm)	0.55	0.32	0.25	0.25	0.25
Phase thickness (μm)	0.25	0.52	0.25	0.25	0.25
T_start (C)	60.	40.	50.	80.	100.
T_end (C)	220.	240.	270.	225.	250.
Heat rate (K/min)	5.	4.	4.5	4.	5.
Initial hold (min)			1.		7.
Final hold (min)	15.
I	1405.	1418.	1420.	1408.	1419.
Reference	Jain, Srivastava, et al., 2001	Kitic, Palic, et al., 2001	Nagalakshmi, Thangadurai, et al., 2001	Palá-Paúl, Velasco-Negueruela, et al., 2001	Raina, Srivastava, et al., 2001
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	BP-1	HP-1	DB-1	HP-5	SE-54
Column length (m)	25.	25.	30.	30.	30.
Carrier gas	N2	He	He	He	He
Substrate
Column diameter (mm)	0.55	0.2	0.25	0.25	0.26
Phase thickness (μm)	0.25	0.25	0.25	0.25	0.25
T_start (C)	60.	100.	40.	60.	60.
T_end (C)	220.	220.	260.	280.	246.
Heat rate (K/min)	5.	4.	2.	3.	3.
Initial hold (min)			5.
Final hold (min)	15.		20.
I	1417.	1420.	1407.	1418.	1418.
Reference	Raina, Srivastava, et al., 2001, 2	Rajeswara Rao, 2001	Senatore and Rigano, 2001	Tzakou and Couladis, 2001	Adams, 2000
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	DB-5	SE-54	DB-5	SE-30	PTE-5
Column length (m)	30.	30.	30.	25.	60.
Carrier gas	He		He	He	H2
Substrate
Column diameter (mm)	0.26	0.26	0.26	0.22	0.32
Phase thickness (μm)	0.25	0.25	0.25	0.25	0.3
T_start (C)	60.	60.	60.	70.	60.
T_end (C)	240.	246.	246.	220.	285.
Heat rate (K/min)	3.	3.	3.	5.	4.3
Initial hold (min)
Final hold (min)
I	1418.	1418.	1418.	1414.	1418.
Reference	Adams, 2000, 2	Adams, 2000, 3	Adams, 2000, 4	Kardali, Velasco-Negueruela, et al., 2000	Mitic and Dordevic, 2000
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	BP-1	DB-5	BP-1	HP-5MS	DB-5
Column length (m)	25.	30.	25.	30.	30.
Carrier gas	N2	He	N2	He
Substrate
Column diameter (mm)	0.5	0.25	0.50	0.25	0.32
Phase thickness (μm)			0.25	0.25
T_start (C)	60.	60.	60.	60.	50.
T_end (C)	220.	180.	220.	280.	250.
Heat rate (K/min)	5.	2.	5.	3.	3.
Initial hold (min)					5.
Final hold (min)	10.		10.
I	1422.	1418.	1422.	1418.	1424.
Reference	Rao, Kaul, et al., 2000	Rao, Rout, et al., 2000	Rao, Sastry, et al., 2000	Roussis, Tsoukatou, et al., 2000	Tzakou, Harvala, et al., 2000
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	BP-5	DB-5	DB-5	SE-30	SPB-1
Column length (m)	25.	30.	30.	25.	30.
Carrier gas	He	He		He	He
Substrate
Column diameter (mm)	0.25	0.26	0.25	0.2	0.32
Phase thickness (μm)	0.25	0.25	0.25		0.25
T_start (C)	60.	60.	50.	60.	50.
T_end (C)	200.	246.	235.	180.	250.
Heat rate (K/min)	3.	3.	15.	3.	2.
Initial hold (min)			2.	10.	3.
Final hold (min)			2.		5.
I	1420.	1418.	1455.	1405.	1414.
Reference	Weissbecker B., Van Loon J.J.A., et al., 2000	Adams, 1999	Dickens, 1999	Jantan I. and Ahmad A.S., 1999	John, Rao, et al., 1999
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	OV-101	DB-5	DB-5	HP-5MS	DB-5
Column length (m)	25.	30.	30.	30.	30.
Carrier gas			He	He	He
Substrate
Column diameter (mm)	0.32	0.25	0.25	0.32	0.25
Phase thickness (μm)			0.33	0.25	0.25
T_start (C)	50.	60.	40.	70.	60.
T_end (C)	200.	240.	260.	250.	240.
Heat rate (K/min)	5.	3.	2.	3.	3.
Initial hold (min)			5.	5.
Final hold (min)			20.
I	1429.	1418.	1399.	1417.	1419.
Reference	Kuiate, Zollo, et al., 1999	Lopes, Kato, et al., 1999	Senatore and de Feo, 1999	Siani, Ramos, et al., 1999	da Silva, Andrade, 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	BP-1	BP-1	DB-5	CP Sil 5 CB
Column length (m)	30.	50.	50.	30.	25.
Carrier gas	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.	60.	40.	60.
T_end (C)	240.	260.	260.	250.	280.
Heat rate (K/min)	4.	2.	2.	2.	5.
Initial hold (min)				5.
Final hold (min)				20.
I	1420.	1424.	1428.	1390.	1417.
Reference	da Silva, Zoghbi, et al., 1999	Vera and Chane-Ming, 1999	Vera and Chane-Ming, 1999	de Feo, Porta, et al., 1998	Kaul and Vats, 1998
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	BP-1	Methyl Silicone	CP Sil 5 CB	CP Sil 8 CB	DB-5
Column length (m)	25.	25.	30.	25.	30.
Carrier gas	N2	N2	Ar	Ar	He
Substrate
Column diameter (mm)	0.25	0.5	0.25	0.15	0.25
Phase thickness (μm)			0.25	0.12	0.25
T_start (C)	60.	60.	60.	60.	60.
T_end (C)	220.	220.	220.	220.	240.
Heat rate (K/min)	5.	5.	3.	3.	4.
Initial hold (min)
Final hold (min)
I	1422.	1422.	1418.	1418.	1421.
Reference	Kulkarni, Mallavarapu, et al., 1998	Mallavarapu, Rao, et al., 1998	Szafranek, Malinski, et al., 1998	Szafranek, Malinski, et al., 1998	Zoghbi, Andrade, et al., 1998
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	DB-1	BPX-5	SPB-1	DB-5	DB-5
Column length (m)	30.	50.	30.	30.	30.
Carrier gas	He	N2	He	He	He
Substrate
Column diameter (mm)	0.23	0.22	0.32	0.25	0.25
Phase thickness (μm)		0.25	0.25	0.25	0.25
T_start (C)	50.	60.	60.	40.	60.
T_end (C)	200.	185.	250.	250.	240.
Heat rate (K/min)	3.	2.	5.	2.	3.
Initial hold (min)		10.	2.	5.
Final hold (min)			5.	20.
I	1418.	1405.	1425.	1390.	1419.
Reference	Fiorini, Fourasté, et al., 1997	Fournier, Hadjiakhoondi, et al., 1997	Jayaprakasha, Jaganmohan Rao, et al., 1997	Senatore, Urrunaga Soria, et al., 1997	Tellez, Estell, et al., 1997
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	OV-1	SE-30	OV-101	DB-1	DB-1
Column length (m)	30.	25.	50.	60.	60.
Carrier gas	He	N2	N2
Substrate
Column diameter (mm)	0.31	0.2	0.25	0.25	0.25
Phase thickness (μm)	3.		0.2	0.25	0.25
T_start (C)	70.	60.	80.	30.	30.
T_end (C)	280.	180.	200.	220.	220.
Heat rate (K/min)	10.	3.	2.	2.	2.
Initial hold (min)		10.		4.	4.
Final hold (min)		1.	60.
I	1425.	1403.	1426.	1410.	1415.
Reference	Afsharypuor, Asgary, et al., 1996	Jantan, Ahmad, et al., 1996	Padrayuttawat, Tamura, et al., 1996	Takeoka, Perrino, et al., 1996	Takeoka, Perrino, et al., 1996
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	SE-30	DB-5	DB-5	DB-5	OV-101
Column length (m)	25.	30.	30.	30.	25.
Carrier gas	N2
Substrate
Column diameter (mm)	0.2				0.25
Phase thickness (μm)
T_start (C)	60.	40.	40.	40.	50.
T_end (C)	180.	210.	210.	210.	200.
Heat rate (K/min)	3.	2.	2.	2.	5.
Initial hold (min)	10.	2.	2.	2.
Final hold (min)	1.	120.	120.	120.
I	1403.	1412.	1412.	1413.	1426.
Reference	Jantan, Ali, et al., 1995	Loayza, Abujder, et al., 1995	Loayza, Abujder, et al., 1995	Loayza, Abujder, et al., 1995	Menut, Lamaty, et al., 1995
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	OV-101	DB-1	HP-1	SPB-1	BP-1
Column length (m)	25.	28.	15.	50.	50.
Carrier gas	N2	He		He	He
Substrate
Column diameter (mm)	0.25	0.25	0.32	0.20
Phase thickness (μm)		0.25
T_start (C)	50.	50.	40.	35.	-100.
T_end (C)	200.	270.	240.	200.	200.
Heat rate (K/min)	5.	4.	6.	3.	2.
Initial hold (min)		1.		5.
Final hold (min)			10.	20.
I	1424.	1420.	1424.	1440.	1408.
Reference	Menut, Molangui, et al., 1995	Saad, El-Sharkawy, et al., 1995	Raharivelomanana, Cambon, et al., 1993	Wong and Tie, 1993	Bartley, 1988
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	OV-1	BP-1	OV-101	OV-101	OV-101
Column length (m)	23.	50.	100.	80.	80.
Carrier gas	H2	H2	H2	N2	N2
Substrate
Column diameter (mm)	0.32	0.33	0.3	0.28	0.28
Phase thickness (μm)	0.3		0.15
T_start (C)	50.	65.	90.	80.	80.
T_end (C)	200.	220.	220.	200.	200.
Heat rate (K/min)	3.	5.	2.	1.	1.
Initial hold (min)		2.
Final hold (min)
I	1411.	1430.	1426.	1442.	1446.
Reference	Bicchi, Frattini, et al., 1988	Ekundayo, Laakso, et al., 1988	Gaydou, Randriamiharisoa, et al., 1986	Shibamoto, Kamiya, et al., 1981	Shibamoto, Kamiya, et al., 1981
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

References

Go To: Top, Kovats' RI, non-polar column, temperature ramp, Notes

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Palmeira, Moura, et al., 2004
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Schwob, Bessiere, et al., 2004
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Siani, Garrido, et al., 2004
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Velasco-Negueruela, Sanz, et al., 2004
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Amparo Blázquez, Pérez, et al., 2003
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Baranauskiene, Venskutonis, et al., 2003
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Baranauskiene, Venskutonis, et al., 2003, 2
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Bouzouita, Kachouri, et al., 2003
Bouzouita, N.; Kachouri, F.; Hamdi, M.; Chaabouni, M.M., Antimicrobial activity of essential oils from Tunisian aromatic plants, Flavour Fragr. J., 2003, 18, 5, 380-383, https://doi.org/10.1002/ffj.1200 . [all data]

Couladis, Chinou, et al., 2003
Couladis, M.; Chinou, I.B.; Tzakou, O.; Petrakis, P.V., Composition and antimicrobial activity of the essential oil of Hypericum rumeliacum subsp. apollinis (Boiss. Heldr.), Phytother. Res., 2003, 17, 2, 152-154, https://doi.org/10.1002/ptr.1093 . [all data]

Lucero, Estell, et al., 2003
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Marongiu, Piras, et al., 2003
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Ogunwande, Olawore, et al., 2003
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Ogunwande, Olawore, et al., 2003, 2
Ogunwande, I.A.; Olawore, N.O.; Kasali, A.A.; König, W.A., Chemical composition of the leaf volatile oils of Callitris intratropica R.T. Baker H.G. Smith from Nigeria, Flavour Fragr. J., 2003, 18, 5, 387-389, https://doi.org/10.1002/ffj.1214 . [all data]

Özcan, Tzakou, et al., 2003
Özcan, M.; Tzakou, O.; Couladis, M., Essential oil composition of Turkish herbal tea (Salvia aucheri Bentham var. canescens Boiss. Heldr.), Flavour Fragr. J., 2003, 18, 4, 325-327, https://doi.org/10.1002/ffj.1229 . [all data]

Raina, Srivastava, et al., 2003
Raina, V.K.; Srivastava, S.K.; Syamasunder, K.V., Essential oil composition of Acorus calamus L. from the lower region of the Himalayas, Flavour Fragr. J., 2003, 18, 1, 18-20, https://doi.org/10.1002/ffj.1136 . [all data]

Viña and Murillo, 2003
Viña, A.; Murillo, E., Essential oil composition from twelve varieties of basil (Ocimum spp) grown in Columbia, J. Braz. Chem. Soc., 2003, 14, 5, 744-749, https://doi.org/10.1590/S0103-50532003000500008 . [all data]

Buchin, Salmon, et al., 2002
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Jayaprakasha, Jena, et al., 2002
Jayaprakasha, G.K.; Jena, B.S.; Negi, P.S.; Sakariah, K.K., Evaluation of antioxidant activities and antimutagenicity of turmeric oil: a byproduct from curcumin production, Z. Naturforsch. C:, 2002, 57c, 828-835, retrieved from http://www.znaturforsch.com/57c/s57c0828.pdf. [all data]

Juliani, Koroch, et al., 2002
Juliani, H.R., Jr.; Koroch, A.R.; Juliani, H.R.; Trippi, V.S.; Zygadlo, J.A., Intraespecific variation in leafoils of Lippia junelliana (mold.) tronc, Biochem. Syst. Ecol., 2002, 30, 2, 163-170, https://doi.org/10.1016/S0305-1978(01)00067-9 . [all data]

Juliani and Simon, 2002
Juliani, H.R.; Simon, J.E., Antioxidant acitivity of basil in Trends in new crops and new uses, Janick,J.; Whipkey,A., ed(s)., ASHA Press, Alexandria, Va, 2002, 575-579. [all data]

Mevy, Bessiere, et al., 2002
Mevy, J.P.; Bessiere, J.-M.; Dherbomez, M.; Viano, J., Composition and some biological activities of the essential oils from an African pasture grass: Elionurus elegans Kunth., J. Agric. Food Chem., 2002, 50, 15, 4240-4243, https://doi.org/10.1021/jf0115140 . [all data]

Mita, Tsitsimpikou, et al., 2002
Mita, E.; Tsitsimpikou, C.; Tsiveleka, L.; Petrakis, P.V.; Ortiz, A.; Vagias, C.; Roussis, V., Seasonal Variation of Oleoresin Terpenoids from Pinus halepensis and Pinus pinea and Host Selection of the Scale Insect Marchalina hellenica (Homoptera, Coccoidea, Margarodidae, Coelostonidiinae), Holzforschung, 2002, 56, 6, 572-578, https://doi.org/10.1515/HF.2002.087 . [all data]

Palá-Paúl, Velasco-Negueruela, et al., 2002
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Raina, Lal, et al., 2002
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Gaydou, E.M.; Randriamiharisoa, R.; Bianchini, J.-P., Composition of the essential oil of ylang-ylang (Canaga odorata Hook Fil. et Thomson forma genuina) from Madagascar, J. Agric. Food Chem., 1986, 34, 3, 481-487, https://doi.org/10.1021/jf00069a028 . [all data]

Shibamoto, Kamiya, et al., 1981
Shibamoto, T.; Kamiya, Y.; Mihara, S., Isolation and identification of volatile compounds in cooked meat: sukiyaki, J. Agric. Food Chem., 1981, 29, 1, 57-63, https://doi.org/10.1021/jf00103a015 . [all data]

Notes

Go To: Top, Kovats' 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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