1H-Cyclopenta[1,3]cyclopropa[1,2]benzene, octahydro-7-methyl-3-methylene-4-(1-methylethyl)-, [3aS-(3aα,3bβ,4β,7α,7aS*)]-

Formula: C₁₅H₂₄
Molecular weight: 204.3511
IUPAC Standard InChI: InChI=1S/C15H24/c1-9(2)12-6-5-11(4)15-8-7-10(3)13(15)14(12)15/h9,11-14H,3,5-8H2,1-2,4H3/t11-,12+,13?,14?,15?/m0/s1
IUPAC Standard InChIKey: FSRZGYRCMPZNJF-PBWBXLIUSA-N
CAS Registry Number: 13744-15-5
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:
- 6-epi-β-Cubebene
Other names: 1H-Cyclopenta[1,3]cyclopropa[1,2]benzene, 2,3,3aα,3bα,4,5,6,7-octahydro-4α-isopropyl-7β-methyl-3-methylene-; β-Cubebene; β-Cuvebene; 1H-Cyclopenta[1,3]cyclopropa[1,2]benzene, octahydro-7-methyl-3-methylene-4-(1-methylethyl)-, (3aα,3bα,4α,7β,7aR*)-; 1H-Cyclopenta[1,3]cyclopropa[1,2]benzene, octahydro-7-methyl-3-methylene-4-(1-methylethyl)-, (3aS,3bR,4S,7R,7aR)-; beta cubebene
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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

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

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	DB-5	DP-5	HP-5 MS	HP-5 MS	HP-5 MS
Column length (m)	30.	30.	30.	30.	30.
Carrier gas	Helium	Helium		Helium	Helium
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)	100.	80.	60.	60.	50.
T_end (C)	260.	300.	300.	220.	180.
Heat rate (K/min)	10.	4.	15.	4.	2.
Initial hold (min)	1.	1.	2.	20.
Final hold (min)	10.	40.	10.	20.
I	1434.	1339.	1383.	1387.	1378.
Reference	Boukhris, Bouaziz, et al., 2012	Vijayakumar, Duraipandiyan, et al., 2012	Xu, Han, et al., 2012	Feizbakhsh and Naeemy, 2011	Hammami, Kamoun, et al., 2011
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	DB-5	VF-5 MS	VF-5 MS	SE-30 MS	DB-5
Column length (m)	30.	60.	60.	30.	30.
Carrier gas	Helium	Helium	Helium	Helium	Helium
Substrate
Column diameter (mm)	0.25	0.32	0.32	0.25	0.25
Phase thickness (μm)	0.25	0.25	0.25	0.25	0.25
T_start (C)	60.	30.	30.	50.	50.
T_end (C)	240.	260.	260.	250.	250.
Heat rate (K/min)	3.	2.	2.	5.	2.
Initial hold (min)				5.
Final hold (min)		28.	28.	10.
I	1390.	1390.	1390.	1392.	1388.
Reference	Karimi, Farmani, et al., 2011	Leffingwell and Alford, 2011	Leffingwell and Alford, 2011	Menichini, Tundis, et al., 2011	Ho, Wang, et al., 2010
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	HP-5	HP-5	HP-5 MS	HP-5	DB-1
Column length (m)	30.	30.	30.	30.	60.
Carrier gas	Helium	Helium	Helium	Hydrogen	Nitrogen
Substrate
Column diameter (mm)	0.32	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.	40.	60.	70.	60.
T_end (C)	240.	260.	220.	290.	250.
Heat rate (K/min)	3.	4.	5.	5.	4.
Initial hold (min)	2.		10.		1.
Final hold (min)		5.			10.
I	1387.	1394.	1391.	1397.	1389.
Reference	Kahriman, Tosun, et al., 2010	Miyazawa, Kawauchi, et al., 2010	Ogunwande, Flamini, et al., 2010	Radulovic, Dordevic, et al., 2010	Safaei-Ghomi, Meshkatalsadat, et al., 2010
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	SLB-5 MS	DB-5	DB-5 MS	CP Sil 5 CB	SE-54
Column length (m)	10.	30.	30.	25.	30.
Carrier gas	Helium	Helium	Helium		Helium
Substrate
Column diameter (mm)	0.10	0.25	0.25	0.25	0.25
Phase thickness (μm)	0.10	0.25	0.25	0.15	0.25
T_start (C)	50.	60.	60.	50.	60.
T_end (C)	250.	240.	240.	230.	260.
Heat rate (K/min)	10.	3.	3.	3.	2.
Initial hold (min)					5.
Final hold (min)					999.
I	1390.	1391.	1386.	1390.	1383.
Reference	Scandinaro, Tranchida, et al., 2010	Scherer, Wagner, et al., 2010	Silva, Pott, et al., 2010	Usman, Zubair, et al., 2010	Dayisoylu and Alma, 2009
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	ZB-5	DB-5	DB-5 MS	DB-5 MS	HP-5 MS
Column length (m)	30.	30.	30.	30.	30.
Carrier gas	Helium	Nitrogen	Helium	Helium	Helium
Substrate
Column diameter (mm)	0.25	0.25	0.25	0.25	0.25
Phase thickness (μm)	0.25	0.25	0.25	0.25	0.25
T_start (C)	50.	40.	50.	40.	60.
T_end (C)	240.	230.	220.	250.	300.
Heat rate (K/min)	3.	2.	3.	4.	15.
Initial hold (min)			2.	2.	2.
Final hold (min)	1.		70.	2.	10.
I	1437.	1388.	1383.	1380.	1383.
Reference	Gardini, Beletti, et al., 2009	Scrivanti, Anton, et al., 2009	Shimizu, Imayoshi, et al., 2009	Su, Wang, et al., 2009	Xu, Han, 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	SLB-5 MS	HP-5	HP-5 MS	DB-5MS
Column length (m)	30.	30.	30.	30.	30.
Carrier gas	N2	Helium	Nitrogen	Helium	He
Substrate
Column diameter (mm)	0.25	0.25	0.25	0.25	0.25
Phase thickness (μm)	0.25	0.25	0.25	0.25	0.25
T_start (C)	60.	50.	50.	50.	60.
T_end (C)	220.	250.	280.	230.	240.
Heat rate (K/min)	5.	3.	5.	3.	3.
Initial hold (min)	10.	2.	1.	10.
Final hold (min)		10.	1.	10.
I	1390.	1390.	1395.	1387.	1389.
Reference	Flamini, Tebano, et al., 2008	Lo Presti, Sciarrone, et al., 2008	Saidana, Mahjoub, et al., 2008	Adams, Beauchamp, et al., 2007	Andrade, Oliveira, 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	HP-5	DB-5	DB-1
Column length (m)	30.	30.	30.	30.	60.
Carrier gas	He	He	N2	Helium	Nitrogen
Substrate
Column diameter (mm)	0.25	0.26	0.25	0.26	0.25
Phase thickness (μm)	0.25	0.25	0.25	0.25	0.25
T_start (C)	60.	60.	50.	60.	60.
T_end (C)	240.	240.	240.	290.	250.
Heat rate (K/min)	3.	3.	5.	3.	4.
Initial hold (min)			1.		1.
Final hold (min)			4.		10.
I	1388.	1387.	1390.	1387.	1384.
Reference	Argyropoulou, Daferera, et al., 2007	Bos, Woerdenbag, et al., 2007	Cheraif, Ben Jannet, et al., 2007	Elfami, Bos, et al., 2007	Ghasempour, Shirinpour, et al., 2007
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	DB-5	DB-1	DB-1	DB-5	Elite-5MS
Column length (m)	30.	50.	60.	30.	30.
Carrier gas	Helium	He	Nitrogen	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	0.5
T_start (C)	60.	95.	60.	60.	40.
T_end (C)	220.	240.	250.	320.	280.
Heat rate (K/min)	4.	4.	4.	10.	4.
Initial hold (min)			1.		5.
Final hold (min)			10.	4.	10.
I	1378.	1382.	1384.	1388.	1391.
Reference	Morteza-Semnani, Saeedi, et al., 2007	Pala-Paul, Brophy, et al., 2007	Reza, Ebrahim, et al., 2007	Smelcerovic, Spiteller, et al., 2007	Tava, Pecetti, et al., 2007
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	HP-5MS	HP-5MS	HP-5	HP-5MS	HP-5MS
Column length (m)	30.	30.	30.	30.	30.
Carrier gas	He	He		He	He
Substrate
Column diameter (mm)	0.25	0.25	0.25	0.25	0.25
Phase thickness (μm)	0.25	0.25	0.25	0.25	0.25
T_start (C)	60.	40.	40.	40.	60.
T_end (C)	280.	250.	240.	260.	280.
Heat rate (K/min)	3.	3.	5.	4.	3.
Initial hold (min)		5.	3.
Final hold (min)		10.	10.
I	1350.	1377.	1387.	1385.3	1390.
Reference	Tzakou, Bazos, et al., 2007	Vichi, Riu-Aumatell, et al., 2007	Wenguang, Wenlai, et al., 2007	Zizovic, Stamenic, et al., 2007	Bozin, Mimicá-Dukic, 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	HP-5	DB-5	HP-5	HP-5
Column length (m)	30.	25.	30.	30.	30.
Carrier gas	Helium	He	Helium	He	Helium
Substrate
Column diameter (mm)	0.20	0.25	0.26	0.25	0.32
Phase thickness (μm)	0.20	0.25	0.25	0.25	0.25
T_start (C)	70.	50.	60.	50.	60.
T_end (C)	220.	300.	290.	300.	260.
Heat rate (K/min)	3.	5.	3.	5.	5.
Initial hold (min)		5.		5.	2.
Final hold (min)	15.			5.	13.
I	1380.	1390.	1387.	1387.	1392.
Reference	Cavaleiro, Pinto, et al., 2006	Champagnat, Figueredo, et al., 2006	Elfami, Komar, et al., 2006	Figuérédo, Cabassu, et al., 2006	Kucuk, Gulec, 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 5 CB	DB-5	BP-1	DB-5	HP-5
Column length (m)	30.	30.	25.	25.	30.
Carrier gas	N2	Helium	He	N2	He
Substrate
Column diameter (mm)	0.32	0.25	0.3	0.25	0.25
Phase thickness (μm)	0.25	0.25		0.15	0.25
T_start (C)	50.	50.	70.	50.	60.
T_end (C)	300.	250.	220.	200.	220.
Heat rate (K/min)	4.	3.	4.	4.	5.
Initial hold (min)		5.	2.	3.	10.
Final hold (min)			10.
I	1382.	1389.	1381.	1395.	1381.
Reference	Lis and Milczarek, 2006	Mirza, Navaei, et al., 2006	Moody, Gundidza, et al., 2006	Ouamba, Ouabonzi, et al., 2006	Pintore G., Chessa M., 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	SPB-5	Methyl Silicone	DB-1	DB-5
Column length (m)	30.		25.	50.	50.
Carrier gas	H2	He	N2	N2
Substrate
Column diameter (mm)	0.25		0.3	0.25	0.3
Phase thickness (μm)	0.25		0.15	0.25	0.25
T_start (C)	50.	50.	50.	90.	60.
T_end (C)	280.	250.	210.	240.	240.
Heat rate (K/min)	4.	5.	2.	4.	2.
Initial hold (min)	2.	3.	5.
Final hold (min)	10.	15.
I	1390.	1390.	1394.	1372.	1388.
Reference	Pino, Sauri-Duch, et al., 2006	Stojanovic, Palic, et al., 2006	Tonzibo, Coffy, et al., 2006	Velasco-Negueruela, Pérez-Alonso, et al., 2006	Chagonda and Chalchat, 2005
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	DB-5	DB-5	CP Sil 8 CB	HP-5MS	HP-5MS
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
T_start (C)	60.	60.	80.	60.	50.
T_end (C)	240.	240.	200.	200.	250.
Heat rate (K/min)	3.	3.	3.	4.	3.
Initial hold (min)			5.	30.	3.
Final hold (min)			5.		10.
I	1390.	1391.	1434.	1382.	1409.
Reference	Chaverri and Cicció, 2005	Chaverri and Cicció, 2005	Facey, Porter, et al., 2005	Gauvin and Smadja, 2005	Ghasemi Y., Faridi P., 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	CP Sil 5 CB	HP-5	CP Sil 5 CB	HP-5MS
Column length (m)	30.	30.	25.	25.	30.
Carrier gas	He	N2	H2		He
Substrate
Column diameter (mm)	0.25	0.25	0.32	0.25	0.25
Phase thickness (μm)	0.25	0.25	0.52	0.15	0.25
T_start (C)	60.	60.	40.	50.	60.
T_end (C)	300.	250.	240.	230.	275.
Heat rate (K/min)	3.	5.	4.	3.	4.
Initial hold (min)
Final hold (min)		10.
I	1387.	1397.	1387.	1391.	1390.
Reference	Grombone-Guaratini, Silva-Brandão, et al., 2005	Jassbi, Mehrdad, et al., 2005	Jovanovic, Kitic, et al., 2005	Olawore, Ogunwande, et al., 2005	Sajjadi and Ghannadi, 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	HP-5MS	DB-1	RTX-5
Column length (m)	30.	30.	30.	60.	30.
Carrier gas	He	He	He	He
Substrate
Column diameter (mm)	0.25	0.25	0.25	0.25	0.25
Phase thickness (μm)	0.25	0.25	0.25	0.25	0.25
T_start (C)	60.	60.	60.	60.	60.
T_end (C)	220.	280.	280.	250.	220.
Heat rate (K/min)	3.	3.	3.	5.	3.
Initial hold (min)	4.	5.
Final hold (min)				10.
I	1390.	1390.	1391.	1432.	1390.
Reference	Salehi, Sefidkon, et al., 2005	Setzer, Noletto, et al., 2005	Slavkovska, Couladis, et al., 2005	Sonboli, Salehi, 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	DB-5	HP-5MS	CP Sil 5 CB	RTX-1	SE-54
Column length (m)	30.	30.	30.	30.	30.
Carrier gas	He		N2	N2	He
Substrate
Column diameter (mm)	0.32	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.	40.	50.	60.	60.
T_end (C)	280.	220.	200.	300.	260.
Heat rate (K/min)	3.	3.	5.	4.	2.
Initial hold (min)		5.			5.
Final hold (min)		10.
I	1358.	1377.	1378.	1387.	1384.
Reference	Tzakou and Constantinidis, 2005	Vichi, Riu-Aumatell, et al., 2005	Agnaniet, Menut, et al., 2004	Kalemba and Thiem, 2004	Kilic, Hafizoglu, 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	DB-1	CP Sil 5 CB	DB-5
Column length (m)	30.	50.	50.	20.	30.
Carrier gas	N2	He	N2	He	He
Substrate
Column diameter (mm)	0.32	0.2	0.25	0.25	0.249
Phase thickness (μm)	0.25	0.25	0.25	0.25	0.25
T_start (C)	60.	50.	95.	100.	60.
T_end (C)	300.	250.	240.	270.	300.
Heat rate (K/min)	4.	2.	4.	8.	3.
Initial hold (min)				2.
Final hold (min)
I	1386.	1377.	1382.	1390.	1391.
Reference	Lis, Boczek, et al., 2004	Orav, Stulova, et al., 2004	Palá-Paúl, Velasco-Negueruela, et al., 2004	Thappa, Bakshi, et al., 2004	Woerdenbag, Windono, et al., 2004
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	HP-5	HP-5MS	HP-5	RSL-200	CP Sil 5 CB
Column length (m)	30.	30.	30.	30.	25.
Carrier gas	N2	He	He	H2	He
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	0.39
T_start (C)	60.	60.	60.	40.	60.
T_end (C)	220.	280.	275.	280.	220.
Heat rate (K/min)	5.	3.	4.	6.	5.
Initial hold (min)	10.			5.
Final hold (min)				5.
I	1382.	1388.	1395.	1388.	1387.
Reference	Bertoli, Menichini, et al., 2003	Couladis, Özcan, et al., 2003	Ghannadi and Zolfaghari, 2003	Jirovetz, Buchbauer, et al., 2003	Khanavi, Hadjiakhoondi, et al., 2003
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	DB-1	DB-1	CP Sil 5 CB	DB-1	DB-5
Column length (m)	60.	60.	25.	50.	30.
Carrier gas	He	He	H2	N2	H2
Substrate
Column diameter (mm)	0.25	0.25	0.25	0.25	0.25
Phase thickness (μm)	0.25	0.25	0.15	0.25	0.25
T_start (C)	50.	50.	50.	95.	60.
T_end (C)	270.	270.	230.	240.	280.
Heat rate (K/min)	4.	4.	3.	4.	4.
Initial hold (min)					10.
Final hold (min)					40.
I	1423.	1388.	1364.	1386.	1390.
Reference	Mirza and Nik, 2003	Mirza, Nik, et al., 2003	Oyedeji, Ekundayo, et al., 2003	Perez-Alonso, Velasco-Negueruela, et al., 2003	Pino, Marbot, 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	Methyl Silicone	HP-5	HP-5	Cross-Linked Methylsilicone
Column length (m)	30.		60.	60.	25.
Carrier gas	He	He			He
Substrate
Column diameter (mm)	0.25		0.25	0.25	0.2
Phase thickness (μm)	0.25		0.25	0.25	0.33
T_start (C)	60.	35.	40.	40.	70.
T_end (C)	280.	180.	250.	250.	250.
Heat rate (K/min)	3.	4.	5.	5.	4.
Initial hold (min)			15.	15.
Final hold (min)
I	1371.	1385.	1390.	1390.	1372.
Reference	Pitarokili, Tzakou, et al., 2003	Santos and Cordeiro, 2003	Stashenko, Jaramillo, et al., 2003	Stashenko, Jaramillo, et al., 2003	Velasco-Negueruela, Pérez-Alonso, et al., 2003
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	HP-5	HP-5	HP-5	HP-5	HP-5
Column length (m)	25.	25.	25.	25.	30.
Carrier gas	H2	H2	Helium	Helium	He
Substrate
Column diameter (mm)	0.32	0.32	0.32	0.32	0.25
Phase thickness (μm)	0.53	0.53	0.53	0.53	0.32
T_start (C)	40.	40.	40.	40.	60.
T_end (C)	280.	280.	280.	280.	250.
Heat rate (K/min)	4.	4.	4.	4.	5.
Initial hold (min)					30.
Final hold (min)
I	1386.	1388.	1388.	1388.	1390.
Reference	Velickovic, Randjelovic, et al., 2003	Velickovic, Randjelovic, et al., 2003	Velickovic, Ristic, et al., 2003	Velickovic, Ristic, et al., 2003	Yassa, Akhani, 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	DB-5	DB-1	DB-5	OV-101
Column length (m)	30.	25.	60.	30.	25.
Carrier gas	He	N2	He	He
Substrate
Column diameter (mm)	0.25	0.25	0.25	0.249	0.32
Phase thickness (μm)	0.25	0.25	0.25	0.25
T_start (C)	60.	50.	50.	60.	50.
T_end (C)	240.	250.	280.	300.	200.
Heat rate (K/min)	3.	4.	4.	3.	5.
Initial hold (min)
Final hold (min)		10.		5.
I	1352.	1390.	1423.	1390.	1391.
Reference	Zoghbi, Andrade, et al., 2003	Zrira, Elamrani, et al., 2003	Ahmadi, Mirza, et al., 2002	Bos, Koulman, et al., 2002	Boyom, Keumedjio, et al., 2002
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	DB-5	HP-1	5 % Phenyl methyl siloxane	DB-5	PTE-5
Column length (m)	30.	30.	30.	30.	60.
Carrier gas	He	He	He	He	H2
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	0.30
T_start (C)	60.	70.	75.	60.	60.
T_end (C)	280.	220.	200.	240.	285.
Heat rate (K/min)	3.	3.	3.	3.	4.3
Initial hold (min)			4.
Final hold (min)	30.	15.	8.
I	1381.	1380.	1388.	1392.	1390.
Reference	Caredda, Marongiu, et al., 2002	Cavaleiro, Salgueiro, et al., 2002	Cicció and Gómez-Laurito, 2002	Flamini, Ertugrul, et al., 2002	Gudzic, Djokovic, 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	RSL-200	DB-1	DB-5	DB-5
Column length (m)	50.	30.	25.	30.	30.
Carrier gas	He	H2	He	He	He
Substrate
Column diameter (mm)	0.25	0.32	0.23	0.25	0.25
Phase thickness (μm)	0.25	0.25	0.20	0.25	0.25
T_start (C)	70.	40.	50.	35.	60.
T_end (C)	240.	280.	200.	280.	250.
Heat rate (K/min)	4.	6.	3.	3.	3.
Initial hold (min)		5.	3.	2.
Final hold (min)		5.	30.	15.
I	1391.	1388.	1380.	1395.	1383.
Reference	Iñigo, Palá-Paúl, et al., 2002	Jirovetz, Buchbauer, et al., 2002	Khallouki, Younos, et al., 2002	Krauze-Baranowska, Mardarowicz, et al., 2002	Limberger, Simões-Pires, 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	OV-101	DB-5	SPB-5	HP-5
Column length (m)	30.	25.	30.	60.	30.
Carrier gas	He	He	He	He	N2
Substrate
Column diameter (mm)	0.25	0.32	0.25	0.32	0.25
Phase thickness (μm)	0.25		0.25		0.25
T_start (C)	60.	50.	60.	40.	60.
T_end (C)	240.	200.	220.	220.	220.
Heat rate (K/min)	3.	5.	4.	3.	5.
Initial hold (min)			5.	5.	10.
Final hold (min)				15.
I	1390.	1387.	1388.	1390.	1390.
Reference	Maia, Zoghbi, et al., 2002	Menut, Bessière, et al., 2002	Morteza-Semnani, Saeedi, et al., 2002	Cornu, Carnat, et al., 2001	Flamini, Cioni, et al., 2001
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	HP-5	Optima-5	RTX-1	DB-5MS	DB-1
Column length (m)	30.	30.	30.	30.	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		0.25	0.25	0.25
T_start (C)	60.	50.	60.	60.	50.
T_end (C)	220.	250.	300.	240.	270.
Heat rate (K/min)	5.	3.	4.	3.	4.
Initial hold (min)	10.	3.
Final hold (min)				30.
I	1391.	1394.	1387.	1351.	1422.
Reference	Gallori, Flamini, et al., 2001	Jacquemond-Collet, Bessière, et al., 2001	Kalemba, Marschall, et al., 2001	Marongiu, Porcedda, et al., 2001	Mirza, Ahmadi, 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	SPB-1	DB-1	OV-1
Column length (m)	30.	25.	30.	25.	25.
Carrier gas	He	He	He	He	H2
Substrate
Column diameter (mm)	0.25	0.25	0.2	0.25	0.25
Phase thickness (μm)	0.25	0.4	0.2	0.25	0.25
T_start (C)	60.	60.	80.	50.	40.
T_end (C)	240.	260.	300.	290.	220.
Heat rate (K/min)	3.	5.	5.	4.	3.
Initial hold (min)		40.	3.		5.
Final hold (min)					5.
I	1389.	1377.	1390.	1390.	1372.
Reference	Tellez M., Estell R., et al., 2001	Baser, Özek, et al., 2000	Fraternale, Giamperi, et al., 2000	Koulman, 1999	Oberhofer, Nikiforov, 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-5	DB-5	DB-5	HP-5
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	0.2
Phase thickness (μm)	0.25	0.25	0.25	0.25	0.33
T_start (C)	40.	40.	60.	60.	70.
T_end (C)	250.	220.	240.	240.	290.
Heat rate (K/min)	2.	4.	3.	3.	3.
Initial hold (min)	5.	5.			8.
Final hold (min)	60.				20.
I	1381.	1386.	1389.	1387.	1392.
Reference	Porta, Porcedda, et al., 1999	Sefidkon and Khajavi, 1999	Tellez, Canel, et al., 1999	El-Sakhawy, El-Tantawy, et al., 1998	Poiana, Sicari, et al., 1998
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	OV-101	DB-5	OV-1	DB-1	DB-5
Column length (m)	25.	30.	30.		30.
Carrier gas		He			Helium
Substrate
Column diameter (mm)	0.32	0.25	0.32		0.25
Phase thickness (μm)		0.25	0.25		0.25
T_start (C)	50.	65.	40.	80.	60.
T_end (C)	200.	300.	270.	220.	240.
Heat rate (K/min)	5.	4.	2.	6.	3.
Initial hold (min)		2.	4.
Final hold (min)
I	1388.	1393.	1375.	1385.	1391.
Reference	Zollo, Biyiti, et al., 1998	Elias, Simoneit, et al., 1997	Kökdil, Tanker, et al., 1997	Salgueiro, Vila, 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	DB-5	CBP-1	DB-1	CP Sil 5 CB	SE-54
Column length (m)	30.	25.	60.	25.	30.
Carrier gas	He	He	He		Hydrogen
Substrate
Column diameter (mm)	0.25	0.22	0.25	0.25	0.25
Phase thickness (μm)			0.25		0.25
T_start (C)	60.	60.	50.	60.	60.
T_end (C)	240.	240.	250.	280.	250.
Heat rate (K/min)	4.	5.	2.5	5.	2.
Initial hold (min)			5.		5.
Final hold (min)					2.
I	1390.	1387.	1386.	1389.	1383.
Reference	Zunino, Novillo-Newton, et al., 1997	Zygadlo, Ariza-Espinar, et al., 1997	Stashenko, Puertas, et al., 1996	Kaul, Singh, et al., 1993	Kollmannsberger, Nitz, et al., 1992
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-1	SE-30	OV-101
Column length (m)	60.	25.	60.	30.	50.
Carrier gas
Substrate
Column diameter (mm)	0.32	0.33	0.32		0.30
Phase thickness (μm)
T_start (C)	50.	45.	50.	50.	40.
T_end (C)	230.	180.	250.	240.	230.
Heat rate (K/min)	4.	3.	4.	4.	3.5
Initial hold (min)		3.	0.1	2.	5.
Final hold (min)	10.		5.	10.
I	1384.	1384.	1385.	1381.	1426.
Reference	Binder, Turner, et al., 1990	Wyllie, Brophy, et al., 1990	Binder and Flath, 1989	Ramaswami, Briscese, et al., 1988	Nykanen, 1986
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary
Active phase	DB-1	OV-1	SE-30
Column length (m)	10.	40.	30.
Carrier gas	H2	He
Substrate
Column diameter (mm)	0.25	0.5
Phase thickness (μm)	0.25	0.75
T_start (C)	50.	30.	50.
T_end (C)	250.	220.	240.
Heat rate (K/min)	5.	3.	4.
Initial hold (min)			2.
Final hold (min)			10.
I	1420.	1384.	1381.
Reference	Perry, Baxter, et al., 1986	de Pooter, de Buyck, et al., 1986	Ramaswami, Briscese, et al., 1986
Comment	MSDC-RI	MSDC-RI	MSDC-RI

References

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

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Hammami, Kamoun, et al., 2011
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Radulovic, Dordevic, et al., 2010
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Andrade, Oliveira, et al., 2007
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Bos, Woerdenbag, et al., 2007
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Cheraif, Ben Jannet, et al., 2007
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Ghasempour, Shirinpour, et al., 2007
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Morteza-Semnani, Saeedi, et al., 2007
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Pala-Paul, Brophy, et al., 2007
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Reza, Ebrahim, et al., 2007
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Smelcerovic, Spiteller, et al., 2007
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Tava, Pecetti, et al., 2007
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Tzakou, Bazos, et al., 2007
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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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