Aromadendrene

Formula: C₁₅H₂₄
Molecular weight: 204.3511
IUPAC Standard InChI: InChI=1S/C15H24/c1-9-6-8-12-14(15(12,3)4)13-10(2)5-7-11(9)13/h10-14H,1,5-8H2,2-4H3/t10?,11-,12+,13+,14+/m0/s1
IUPAC Standard InChIKey: ITYNGVSTWVVPIC-ZPJPVDRXSA-N
CAS Registry Number: 109119-91-7
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:
Other names: Aromadendren
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Other data available:
- 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	DB-5	HP-5 MS	DB-1	HP-5 MS
Column length (m)	30.	30.	30.	30.	30.
Carrier gas	Helium	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)	60.	100.	50.	40.	50.
T_end (C)	240.	260.	250.	210.	180.
Heat rate (K/min)	3.	10.	7.	5.	2.
Initial hold (min)		1.	1.
Final hold (min)		10.	5.
I	1440.	1467.	1466.	1443.	1430.
Reference	Rodriques, Amorim, et al., 2013	Boukhris, Bouaziz, et al., 2012	Zouari, Ayadi, et al., 2012	Fathi, Sahari, et al., 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	HP-5	DB-5	HP-5	ZB-5	ZB-5
Column length (m)	30.	30.	30.	30.	30.
Carrier gas	Helium	Helium	Nitrogen	Nitrogen	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.	60.	50.	40.	40.
T_end (C)	240.	240.	280.	200.	200.
Heat rate (K/min)	3.	3.	5.	5.	5.
Initial hold (min)	2.		1.	5.	5.
Final hold (min)			1.		5.
I	1441.	1439.	1440.	1451.	1452.
Reference	Kahriman, Tosun, et al., 2011	Karimi, Farmani, et al., 2011	Tekaya-Karoui, Boughalleb, et al., 2011	Vazques, Aimar, et al., 2011	Vazquez, Demmel, et al., 2011
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	HP-5	HP-5 MS	HP-5	HP-5 MS	DB-5 MS
Column length (m)	30.	30.	30.	30.	30.
Carrier gas	Helium	Helium	Hydrogen	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.	60.	70.	70.	60.
T_end (C)	240.	220.	290.	290.	240.
Heat rate (K/min)	3.	5.	5.	5.	3.
Initial hold (min)	5.	10.
Final hold (min)				10.
I	1442.	1441.	1448.	1440.	1438.
Reference	Monsef-Esfahani, Miri, et al., 2010	Ogunwande, Flamini, et al., 2010	Radulovic, Dordevic, et al., 2010	Radulovic, Dordevic, et al., 2010, 2	Silva, Pott, et al., 2010
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	DB-5	DB-5	RTX-1	RTX-1	5 % Phenyl methyl siloxane
Column length (m)	30.	30.	60.	60.	60.
Carrier gas	Helium	Helium	Helium	Helium	Helium
Substrate
Column diameter (mm)	0.25	0.25	0.22	0.22	0.25
Phase thickness (μm)	0.25	0.25	0.25	0.25	0.25
T_start (C)	40.	60.	60.	60.	90.
T_end (C)	250.	210.	230.	230.	225.
Heat rate (K/min)	10.	3.	2.	2.	3.
Initial hold (min)	1.
Final hold (min)	3.		30.	30.	3.
I	1439.	1443.	1436.	1443.	1443.
Reference	Yang, Zhang, et al., 2010	Jaimand, Rezaee, et al., 2009	Museli, Pau, et al., 2009	Museli, Pau, et al., 2009	Retta, Gattuso, et al., 2009
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-5 MS	HP-5	HP-5
Column length (m)	30.	30.	30.	30.	30.
Carrier gas	Nitrogen	Helium		Nitrogen	Helium
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)	40.	50.	60.	50.	100.
T_end (C)	230.	280.	280.	280.	240.
Heat rate (K/min)	2.	9.	3.	5.	5.
Initial hold (min)		3.		1.	2.
Final hold (min)		3.		1.	5.
I	1445.	1440.	1437.	1449.	1439.
Reference	Scrivanti, Anton, et al., 2009	Aicha, Ines, et al., 2008	Baziou, Couladis, et al., 2008	Bousaada, Ammar, et al., 2008	Lago, Romoff, et al., 2008
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	SLB-5 MS	RTX-1	Elite-1	HP-5 MS	BPX-5
Column length (m)	30.	60.	30.	30.	7.5
Carrier gas	Helium	He	Helium	Helium	Helium
Substrate
Column diameter (mm)	0.25	0.22	0.32	0.25	0.10
Phase thickness (μm)	0.25	0.25	0.25	0.25	10.
T_start (C)	50.	60.	60.	50.	60.
T_end (C)	250.	230.	246.	240.	240.
Heat rate (K/min)	3.	2.	3.	3.	3.
Initial hold (min)	2.
Final hold (min)	10.	35.
I	1441.	1436.	1443.	1472.	1443.
Reference	Lo Presti, Sciarrone, et al., 2008	Paolini, Tomi, et al., 2008	Raj, Baby, et al., 2008	Sarikurkcu, Tepe, et al., 2008	Shellie, 2008
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-5MS	DB-5MS	DB-5
Column length (m)	30.	30.	30.	30.	30.
Carrier gas	He	N2	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.	60.	60.	60.	35.
T_end (C)	240.	300.	280.	240.	220.
Heat rate (K/min)	3.	4.	3.	3.	3.
Initial hold (min)
Final hold (min)					40.
I	1469.	1442.	1429.	1441.	1442.
Reference	Argyropoulou, Daferera, et al., 2007	Baran, von Reuss, et al., 2007	Basta, Pavlovic, et al., 2007	Da Silva J.K.R., Sousa P.J.C., et al., 2007	El-Ghorab A., El-Massry K.F., 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	RTX-5 MS	DB-5	ZB-5	DB-5
Column length (m)	30.	30.	30.	30.	30.
Carrier gas	He	He	He		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)	60.	45.	60.	60.	60.
T_end (C)	250.	210.	300.	220.	220.
Heat rate (K/min)	2.	3.	3.	4.	4.
Initial hold (min)	8.			5.
Final hold (min)	15.			20.
I	1435.	1438.	1426.	1436.	1443.
Reference	Ferhat, Tigrine-Kordjani, et al., 2007	Hudaib and Aburjai, 2007	Limberger, Scopel, et al., 2007	Mohottalage, Tabacchi, et al., 2007	Morteza-Semnani, Saeedi, 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 MS	HP-5 MS	SPB-1	SPB-5
Column length (m)	30.	25.	25.	30.	30.
Carrier gas	He	Helium	Helium	He	He
Substrate
Column diameter (mm)	0.25	0.25	0.25	0.2	0.25
Phase thickness (μm)	0.32	0.25	0.25	0.2	0.25
T_start (C)	50.	100.	100.	70.	50.
T_end (C)	250.	280.	280.	220.	250.
Heat rate (K/min)	5.	4.	4.	3.	2.
Initial hold (min)		3.	3.
Final hold (min)		5.	5.	15.
I	1426.	1446.	1465.	1429.	1438.
Reference	Nori-Shargh, Raftari, et al., 2007	Phutdhawong, Kawaree, et al., 2007	Phutdhawong, Kawaree, et al., 2007	Pinto, Salgueiro, et al., 2007	Raal, Orav, et al., 2007
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	BPX-5	DB-1	DB-5	HP-5 MS	HP-5 MS
Column length (m)	50.	60.	30.	30.	30.
Carrier gas	He	Nitrogen		Helium	Helium
Substrate
Column diameter (mm)	0.22	0.25	0.25	0.25	0.25
Phase thickness (μm)	1.	0.25	0.25	0.25	0.25
T_start (C)	50.	60.	40.	60.	60.
T_end (C)	300.	250.	250.	280.	280.
Heat rate (K/min)	4.	5.	2.	3.	3.
Initial hold (min)	1.
Final hold (min)	10.	10.	33.
I	1486.	1449.	1437.	1439.	1441.
Reference	Rali, Wossa, et al., 2007	Sonboli, Kanani, et al., 2007	Sylvestre, Pichette, et al., 2007	Tsokou, Georgopoulos, 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	HP-5	HP-5	HP-5	DB-5	DB-5
Column length (m)	30.	30.	30.	30.	30.
Carrier gas		N2	N2	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)	40.	50.	50.	60.	60.
T_end (C)	240.	280.	280.	300.	300.
Heat rate (K/min)	5.	9.	9.	3.	3.
Initial hold (min)	3.	3.	3.
Final hold (min)	10.	3.	3.
I	1439.	1432.	1447.	1428.	1432.
Reference	Wenguang, Wenlai, et al., 2007	Abdelwahed, Hayder, et al., 2006	Abdelwahed, Hayder, et al., 2006	Apel, Sobral, et al., 2006	Apel, Sobral, et al., 2006, 2
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	DB-5	AT-5	BP-1	HP-5MS	Ultra-2
Column length (m)	30.	60.	50.	30.	25.
Carrier gas	He	He		He	H2
Substrate
Column diameter (mm)	0.25	0.25	0.22	0.25	0.25
Phase thickness (μm)	0.25	0.25	0.25	0.25	0.33
T_start (C)	40.	60.	60.	60.	40.
T_end (C)	260.	200.	220.	280.	280.
Heat rate (K/min)	4.	4.	2.	3.	3.
Initial hold (min)	5.				2.
Final hold (min)		20.	20.		10.
I	1433.	1437.	1447.	1440.	1426.
Reference	Askari and Sefidkon, 2006	Borges, Rojas, et al., 2006	Boti, Yao, et al., 2006	Bozin, Mimicá-Dukic, et al., 2006	Ceva-Antunes, Bizzo, et al., 2006
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	DB-5	DB-5
Column length (m)	60.	30.	30.	30.	30.
Carrier gas	Nitrogen	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
T_start (C)	40.	60.	50.	40.	60.
T_end (C)	200.	246.	300.	210.	240.
Heat rate (K/min)	2.	3.	5.	2.	5.
Initial hold (min)	1.		5.	2.	2.
Final hold (min)	9.		5.	33.
I	1432.	1440.	1439.	1436.	1439.
Reference	Chen, Sheu, et al., 2006	Coronel, Cerda-Garcia-Rojas, et al., 2006	Figuérédo, Cabassu, et al., 2006	Garneau F.X., Collin G., et al., 2006	Gohari, Hadjiakhoondi, 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	DB-5	Methyl Silicone	HP-5	RTX-1
Column length (m)	30.	30.	25.	30.	30.
Carrier gas	He	He	He	Helium	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.	50.	90.	60.	60.
T_end (C)	240.	250.	220.	260.	300.
Heat rate (K/min)	5.	3.	7.	5.	4.
Initial hold (min)	2.		2.	2.
Final hold (min)		10.		13.
I	1439.	1439.	1443.	1442.	1442.
Reference	Gohari A.R., Hadjiakhoondi A., et al., 2006	Havlik, Kokoska, et al., 2006	Kitchlu, Bakshi, et al., 2006	Kucuk, Gulec, et al., 2006	Kula, Izydorczyk, et al., 2006
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	5 % Phenyl methyl siloxane	DB-5	DB-5	CP-Sil 5 CB	NB-30
Column length (m)	30.	30.	30.	25.	30.
Carrier gas	Helium	He	He	Hydrogen	He
Substrate
Column diameter (mm)	0.25	0.25	0.25	0.25	0.2
Phase thickness (μm)	0.25	0.25	0.25	0.15	0.25
T_start (C)	60.	60.	50.	50.	50.
T_end (C)	280.	220.	250.	230.	250.
Heat rate (K/min)	3.	4.	4.	3.	2.
Initial hold (min)		5.
Final hold (min)	30.
I	1415.	1443.	1443.	1442.	1441.
Reference	Marongiu, Piras, et al., 2006	Morteza-Semnani K., Saeedi M., et al., 2006	Najafpour Navaei, Mirza, et al., 2006	Olawore, Usman, et al., 2006	Orav, Raal, et al., 2006
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	DB-1	HP-5	DB-5	DB-5	DB-5
Column length (m)	50.	25.	30.	30.	30.
Carrier gas	N2	H2	He	He	N2
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)	95.	60.	60.	40.	60.
T_end (C)	240.	240.	200.	260.	240.
Heat rate (K/min)	4.	3.	2.	2.	4.
Initial hold (min)				5.
Final hold (min)			60.	20.
I	1442.	1443.	1444.	1440.	1434.
Reference	Pala-Paul J., Perez-Alonso M.J., et al., 2006	Potzernheim, Bizzo, et al., 2006	Rout, Naik, et al., 2006	Senatore, Landolfi, et al., 2006	Trilles, Bombarda, 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-1	HP-5MS	SPB-5	DB-1
Column length (m)	30.	50.	30.	60.	60.
Carrier gas	He	He	He	He	N2
Substrate
Column diameter (mm)	0.25	0.2	0.25	0.32	0.25
Phase thickness (μm)	0.25	0.33	0.25	1.	0.25
T_start (C)	60.	50.	60.	40.	60.
T_end (C)	250.	220.	275.	230.	250.
Heat rate (K/min)	10.	4.	4.	3.	5.
Initial hold (min)	2.	1.		5.
Final hold (min)	10.	10.			10.
I	1481.	1432.	1444.	1451.	1452.
Reference	Wang, Yang, et al., 2006	Wong, Lim, et al., 2006	Asadipour, Mehrabani, et al., 2005	Cornu, Kondjoyan, et al., 2005	Fakhari A.R., Sonboli A., 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	DB-5	DB-5MS	DB-5	CP Sil 5 CB
Column length (m)	30.	30.	30.	30.	25.
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	0.15
T_start (C)	60.	60.	60.	60.	50.
T_end (C)	300.	230.	280.	220.	230.
Heat rate (K/min)	3.	3.	3.	4.	3.
Initial hold (min)	3.		30.	5.
Final hold (min)
I	1429.	1434.	1424.	1441.	1442.
Reference	Ferraz, Limberger, et al., 2005	Limberger, Sobral, et al., 2005	Marongiu, Piras, et al., 2005	Morteza-Semnani, Akbarzadeh, et al., 2005	Ogunwande, Olawore, 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	DB-1	DB-5	DB-1	DB-5
Column length (m)	30.	50.	30.	30.	30.
Carrier gas	He	N2	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
T_start (C)	40.	95.	60.	50.	40.
T_end (C)	220.	240.	220.	265.	240.
Heat rate (K/min)	4.	4.	3.	2.5	4.
Initial hold (min)	1.		4.	1.
Final hold (min)				20.
I	1435.	1433.	1441.	1424.	1438.
Reference	de Oliveira, Dias, et al., 2005	Pala-Paul, Perez-Alonso, et al., 2005	Salehi, Sefidkon, et al., 2005	Sarkhail, Amin, et al., 2005	Sefidkon and Jamzad, 2005
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	DB-5	RTX-1	HP-5 MS	DB-5	DB-1
Column length (m)	30.	60.	30.	30.	30.
Carrier gas	He	He	He	H2	N2
Substrate
Column diameter (mm)	0.25	0.25	0.25	0.25	0.25
Phase thickness (μm)	0.25	0.25	0.50	0.25	0.25
T_start (C)	40.	60.	60.	50.	50.
T_end (C)	260.	25.	260.	290.	200.
Heat rate (K/min)	2.	5.	3.	4.	5.
Initial hold (min)	5.
Final hold (min)	20.	10.	20.
I	1440.	1445.	1460.	1434.	1436.
Reference	Senatore, Apostolides Arnold, et al., 2005	Sonboli, Salehi, et al., 2005	Topçu, Barla, et al., 2005	Abreu, Reis, et al., 2004	Fekam Boyom, Fotio, et al., 2004
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	DB-5	RTX-1	DB-5	RTX-1	DB-5
Column length (m)	60.	30.	30.	30.	30.
Carrier gas	He	N2	He	N2
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)	40.	60.	60.	60.	40.
T_end (C)	280.	300.	300.	300.	210.
Heat rate (K/min)	4.	4.	3.	4.	2.
Initial hold (min)	4.				2.
Final hold (min)					33.
I	1439.	1444.	1426.	1440.	1437.
Reference	Kalvandi, Sefidkon, et al., 2004	Kalemba and Thiem, 2004	Limberger, Sobral, et al., 2004	Lis, Boczek, et al., 2004	Lopez Arze, Collin, 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	HP-5MS	DB-1	DB-5
Column length (m)	60.	30.	30.	30.	30.
Carrier gas	He	Helium	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.	50.	60.
T_end (C)	200.	200.	280.	265.	300.
Heat rate (K/min)	4.	4.	4.	2.5	3.
Initial hold (min)	1.	1.		1.
Final hold (min)	20.	20.		20.
I	1440.	1440.	1437.	1424.	1427.
Reference	Rojas, Usubillaga, et al., 2004	Royas, Usubillaga, et al., 2004	Sajjadi and Shahpiri, 2004	Sarkhail, Amin, et al., 2004	Suyenaga, Apel, et al., 2004
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	BPX-5	DB-5	HP-5MS	DB-1	HP-5MS
Column length (m)	25.	30.	30.	30.	30.
Carrier gas	He	He	He	N2	He
Substrate
Column diameter (mm)	0.22	0.249	0.25	0.25	0.25
Phase thickness (μm)	1.	0.25	0.25	0.25	0.25
T_start (C)	60.	60.	60.	50.	60.
T_end (C)	250.	300.	280.	200.	275.
Heat rate (K/min)	3.	3.	3.	5.	4.
Initial hold (min)	5.
Final hold (min)	10.
I	1462.	1439.	1436.	1447.	1438.
Reference	Vilaseca, Guy, et al., 2004	Woerdenbag, Windono, et al., 2004	Couladis, Özcan, et al., 2003	Fekam Boyom, Ngouana, et al., 2003	Ghannadi, Aghazari, 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	RSL-200	DB-5	HP-5	DB-5
Column length (m)	30.	30.	30.	30.	30.
Carrier gas	He	H2	He	He	N2
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.	60.	60.	40.
T_end (C)	280.	280.	250.	280.	230.
Heat rate (K/min)	4.	6.	3.	3.	2.
Initial hold (min)		5.
Final hold (min)		5.
I	1439.	1441.	1432.	1420.	1439.
Reference	Ghasemi, Asghari, et al., 2003	Jirovetz, Buchbauer, et al., 2003	Limberger, Simões-Pires, et al., 2003	Pitarokili, Tzakou, et al., 2003	Rotman, Ahumada, 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	HP-5	HP-5	HP-5
Column length (m)	30.	30.	60.	25.	25.
Carrier gas	He	He		H2	H2
Substrate
Column diameter (mm)	0.25	0.25	0.25	0.32	0.32
Phase thickness (μm)	0.25	0.25	0.25	0.53	0.53
T_start (C)	60.	60.	40.	40.	40.
T_end (C)	275.	240.	250.	280.	280.
Heat rate (K/min)	4.	3.	5.	4.	4.
Initial hold (min)			15.
Final hold (min)
I	1449.	1443.	1435.	1435.	1441.
Reference	Sadraei, Ghannadi, et al., 2003	da Silva, Luz, et al., 2003	Stashenko, Jaramillo, et al., 2003	Velickovic, Randjelovic, et al., 2003	Velickovic, Randjelovic, 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	DB-5	OV-101	DB-5
Column length (m)	25.	25.	30.	25.	30.
Carrier gas	Helium	Helium	He		He
Substrate
Column diameter (mm)	0.32	0.32	0.25	0.32	0.25
Phase thickness (μm)	0.53	0.53	0.25		0.25
T_start (C)	40.	40.	60.	50.	60.
T_end (C)	280.	280.	240.	200.	280.
Heat rate (K/min)	4.	4.	3.	5.	3.
Initial hold (min)
Final hold (min)					30.
I	1436.	1439.	1440.	1463.	1427.
Reference	Velickovic, Ristic, et al., 2003	Velickovic, Ristic, et al., 2003	Zoghbi, Andrade, et al., 2003	Boyom, Keumedjio, et al., 2002	Caredda, Marongiu, 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	BPX-5	DB-5	HP-5	PTE-5
Column length (m)	30.		30.	30.	60.
Carrier gas	He		N2	N2	H2
Substrate
Column diameter (mm)	0.25		0.25	0.25	0.32
Phase thickness (μm)	0.25		0.25	0.25	0.30
T_start (C)	60.	40.	50.	50.	60.
T_end (C)	280.	260.	250.	250.	285.
Heat rate (K/min)	3.	5.	4.	4.	4.3
Initial hold (min)				5.
Final hold (min)
I	1439.	1443.	1439.	1440.	1439.
Reference	Congiu, Falconieri, et al., 2002	Diaz and Kite, 2002	Farah, Fechtal, et al., 2002	Farah, Fechtal. M., 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	CP Sil 8 CB	HP-5	DB-5	DB-5	HP-5
Column length (m)	30.	30.	30.	30.	30.
Carrier gas	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)	50.	100.	60.	60.	60.
T_end (C)	220.	240.	250.	240.	240.
Heat rate (K/min)	3.	5.	3.	3.	3.
Initial hold (min)	2.	2.
Final hold (min)		5.
I	1445.	1434.	1434.	1438.	1446.
Reference	Juteau, Masotti, et al., 2002	Lago, Reis, et al., 2002	Limberger, Simões-Pires, et al., 2002	Maia, da Silva, et al., 2002	Novak, Langbehn, et al., 2002
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	HP-5	DB-5MS
Column length (m)	50.	25.	60.	30.	30.
Carrier gas	N2	He	He	H2	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)	90.	60.	40.	40.	60.
T_end (C)	220.	220.	280.	280.	270.
Heat rate (K/min)	3.	3.	4.	4.	3.
Initial hold (min)			5.
Final hold (min)
I	1432.	1441.	1430.	1439.	1440.
Reference	Priestap, van Baren, et al., 2002	Schwob, Bessière, et al., 2002	Sefidkon, Jalili, et al., 2002	Velickovic, Randjelovic, et al., 2002	Zoghbi, Andrade, 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	OV-1	RSL-200	RTX-1	DB-5
Column length (m)	30.	30.	30.	30.	30.
Carrier gas	He	H2	H2	N2	H2
Substrate
Column diameter (mm)	0.25	0.32	0.32	0.25	0.25
Phase thickness (μm)	0.25	0.3	0.25	0.25	0.25
T_start (C)	60.	50.	40.	60.	60.
T_end (C)	240.	250.	280.	300.	285.
Heat rate (K/min)	3.	3.	6.	4.	3.
Initial hold (min)		1.	5.
Final hold (min)		20.	5.
I	1441.	1414.	1454.	1441.	1436.
Reference	Zoghbi, Andrade, et al., 2002, 2	Gallori, Bilia, et al., 2001	Jirovetz L., Buchbauer G., et al., 2001	Kalemba, Marschall, et al., 2001	Santos-Gomes and Fernandes-Ferreira, 2001
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	DB-5	DB-1	HP-5	HP-5	OV-101
Column length (m)	30.	25.	30.	30.	25.
Carrier gas	He	Nitrogen	He	He	N2
Substrate
Column diameter (mm)	0.25	0.50	0.25	0.25	0.25
Phase thickness (μm)	0.25	0.25	0.25	0.25
T_start (C)	60.	60.	60.	40.	50.
T_end (C)	240.	220.	275.	240.	200.
Heat rate (K/min)	3.	5.	4.	3.	5.
Initial hold (min)				5.
Final hold (min)
I	1437.	1445.	1435.	1468.	1440.
Reference	Tellez M., Estell R., et al., 2001	Mallavarapu, Rao, et al., 2000	Mohagheghzadeh, Shams-Ardakani, et al., 2000	Novak, Novak, et al., 2000	Ayedoun, Adéoti, et al., 1999
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	Ultra-2	CP Sil 5 CB	CP Sil 5 CB	DB-1	DB-5
Column length (m)	50.	25.	25.	50.	30.
Carrier gas		He	He	He	He
Substrate
Column diameter (mm)	0.32	0.25	0.25	0.25	0.25
Phase thickness (μm)				0.25	0.25
T_start (C)	32.	50.	50.	70.	40.
T_end (C)	250.	230.	230.	240.	250.
Heat rate (K/min)	4.	3.	3.	4.	2.
Initial hold (min)	5.				5.
Final hold (min)					60.
I	1446.	1440.	1475.	1411.	1440.
Reference	Khalilov L.M., Khalilova A.Z., et al., 1999	Oyedeji, Olawore, et al., 1999	Oyedeji, Olawore, et al., 1999	Palá-Paúl, Pérez-Alonso, et al., 1999	Porta, Porcedda, et al., 1999
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-1	DB-1	HP-1
Column length (m)	60.	30.	60.	60.	60.
Carrier gas	He	He	He	He	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
T_start (C)	40.	40.	50.	60.	50.
T_end (C)	280.	220.	220.	230.	280.
Heat rate (K/min)	4.	4.	4.	3.	4.
Initial hold (min)	5.	5.			5.
Final hold (min)				5.
I	1452.	1434.	1440.	1442.	1449.
Reference	Sefidkon, Dabiri, et al., 1999	Sefidkon and Khajavi, 1999	Sefidkon and Mirza, 1999	Shafiee, Javidnia, et al., 1999	Stashenko, Cervantes, 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	OV-1	DB-5	DB-5	CBP-1
Column length (m)	25.	30.	30.	30.	25.
Carrier gas		He	Helium	He	He
Substrate
Column diameter (mm)	0.32	0.32	0.25	0.25	0.22
Phase thickness (μm)		0.25	0.25
T_start (C)	50.	40.	60.	60.	60.
T_end (C)	200.	270.	240.	240.	240.
Heat rate (K/min)	5.	2.	3.	4.	5.
Initial hold (min)		4.
Final hold (min)
I	1440.	1413.	1440.	1452.	1439.
Reference	Zollo, Biyiti, et al., 1998	Kökdil, Kurucu, et al., 1997	Tellez, Estell, et al., 1997	Zunino, Novillo-Newton, et al., 1997	Zygadlo, Ariza-Espinar, et al., 1997
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	HP-5	OV-1	DB-1	DB-1	BP-1
Column length (m)		50.	60.	60.	50.
Carrier gas		N2			H2
Substrate
Column diameter (mm)		0.27	0.32	0.32	0.30
Phase thickness (μm)		0.2	0.50
T_start (C)	35.	80.	50.	50.	40.
T_end (C)	200.	240.	225.	250.	250.
Heat rate (K/min)	6.	3.	2.	4.	10.
Initial hold (min)	2.			0.1	1.
Final hold (min)				5.
I	1474.	1435.	1440.	1435.	1444.
Reference	Larsen and Frisvad, 1995	Ramanoelina, Viano, et al., 1994	Sagrero-Nieves, Bartley, et al., 1994	Binder and Flath, 1989	Brophy, Davies, et al., 1989
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	OV-101	OV-101	SE-30	DB-1	SE-30
Column length (m)	50.	50.	30.	10.	30.
Carrier gas	N2	N2		H2
Substrate
Column diameter (mm)	0.25	0.25		0.25
Phase thickness (μm)				0.25
T_start (C)	80.	80.	50.	50.	50.
T_end (C)	200.	200.	240.	250.	240.
Heat rate (K/min)	2.	2.	4.	5.	4.
Initial hold (min)			2.		2.
Final hold (min)			10.		10.
I	1474.	1475.	1455.	1433.	1455.
Reference	Sugisawa, Yang, et al., 1989	Sugisawa, Yang, et al., 1989	Ramaswami, Briscese, et al., 1988	Perry, Baxter, et al., 1986	Ramaswami, Briscese, et al., 1986
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

References

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

Rodriques, Amorim, et al., 2013
Rodriques, K.A. da.F.; Amorim, L.V.; de Oliveira, J.M.G.; Dias, C.N.; Moraes, D.F.C.; Andrade, E.H. deA.; Maia, J.G.S.; Carneiro, S.M.P.; Carvalho, F.A. deA., Eugenia uniflora L. essential oil as a potential anti-Leishmania agent: effect on Leishmania amazonensis and possible mechanism of action, Evidence-Based Complementary and Alternative Medicine, 2013, 2013, 1-10, https://doi.org/10.1155/2013/279726 . [all data]

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Zouari, Ayadi, et al., 2012
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Fathi, Sahari, et al., 2011
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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. Proceedings of the 10th International Congress of Essential Oils, Fragrances and Flavors, Lawrence,B.M.; Mookherjee,B.D.; Willis,B.J., ed(s)., Elsevier, New York, 1988, 951-980. [all data]

Perry, Baxter, et al., 1986
Perry, N.B.; Baxter, A.J.; Brennan, N.J.; van Klink, J.W., Dalmatian Sage. PArt 1. Differing oil yields and compositions from flowering and non-flowering accessions, Flavour Fragr. J., 1986, 11, 4, 231-238, https://doi.org/10.1002/(SICI)1099-1026(199607)11:4<231::AID-FFJ572>3.0.CO;2-0 . [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]

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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