2-Hexenal, (E)-

Formula: C₆H₁₀O
Molecular weight: 98.1430
IUPAC Standard InChI: InChI=1S/C6H10O/c1-2-3-4-5-6-7/h4-6H,2-3H2,1H3/b5-4+
IUPAC Standard InChIKey: MBDOYVRWFFCFHM-SNAWJCMRSA-N
CAS Registry Number: 6728-26-3
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:
- Hexenal
Isotopologues:
- 2E-hexenal-d3
Stereoisomers:
Other names: (E)-2-Hexenal; n-Hex-trans-2-enal; trans-Hex-2-enal; trans-2-Hexen-1-al; trans-2-Hexenal; Leaf aldehyde; 2-trans-Hexenal; (2E)-2-Hexenal; 2-(E)-Hexenal; (E)-2-Hexanal; (E)-2-Hexen-1-al; (E)-Hex-2-en-1-al; (E)-Hex-2-enal; Hex-2(E)-enal; Hex-trans-2-enal; t-2-Hexenal; 2-Hexenal, (2E)-
Information on this page:
Other data available:
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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	VF-5 MS	HP-5 MS	HP-5	DB-5 MS
Column length (m)	30.	30.	30.	30.	25.
Carrier gas	Helium	Helium	Helium	Helium	Helium
Substrate
Column diameter (mm)	0.25	0.25	0.25	0.252	0.30
Phase thickness (μm)	0.25	0.25	0.25	0.25	0.25
T_start (C)	60.	40.	40.	60.	50.
T_end (C)	240.	250.	260.	240.	240.
Heat rate (K/min)	3.	5.	4.	3.	3.
Initial hold (min)		3.
Final hold (min)		3.	5.
I	855.	859.	851.	847.	852.
Reference	Fraternale, Ricci, et al., 2011	Liu, Lu, et al., 2011	Miyazawa, Marumoto, et al., 2011	Cavar, Maksimovic, et al., 2010	Chalchat, Figueredo, 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 MS	HP-5 MS	DB-1	DB-5 MS	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	0.32	0.25
Phase thickness (μm)	0.25	0.25	0.25	0.25	0.25
T_start (C)	60.	70.	50.	40.	35.
T_end (C)	220.	290.	220.	230.	195.
Heat rate (K/min)	5.	5.	4.	6.	2.
Initial hold (min)	10.		2.	2.	5.
Final hold (min)		10.	2.	20.	30.
I	854.	854.	823.	848.	850.
Reference	Ogunwande, Flamini, et al., 2010	Radulovic, Blagojevic, et al., 2010	Xu, Tang, et al., 2010	Chen, Song, et al., 2009	Kim and Chung, 2009
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	HP-5 MS	Mega 5 MS	HP-5 MS	HP-5MS	HP-5 MS
Column length (m)	30.	60.	30.	30.	30.
Carrier gas	Helium	Helium	Helium	Helium	Helium
Substrate
Column diameter (mm)	0.25	0.25	0.32	0.25	0.25
Phase thickness (μm)	0.25	0.25	0.50	0.25	0.25
T_start (C)	40.	40.	50.	50.	50.
T_end (C)	250.	240.	250.	240.	280.
Heat rate (K/min)	4.	3.	5.	5.	4.
Initial hold (min)	2.	2.
Final hold (min)	5.		5.
I	821.	821.	819.	850.	851.
Reference	Raffo, Kelderer, et al., 2009	Romeo, Verzera, et al., 2009	Sylla, Berge, et al., 2009	Wannes, Mhamdi, et al., 2009	Zhao, Zeng, et al., 2009
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	HP-1	HP-5	HP-5 MS	SPB-1	DB-1
Column length (m)	50.	30.	30.	30.	30.
Carrier gas	Helium	N2	Helium	Helium	He
Substrate
Column diameter (mm)	0.20	0.25	0.25	0.25	0.25
Phase thickness (μm)	0.33	0.25	0.25	1.0	0.25
T_start (C)	60.	60.	50.	60.	30.
T_end (C)	250.	220.	230.	250.	210.
Heat rate (K/min)	2.	5.	4.	5.	5.
Initial hold (min)		10.	4.	5.
Final hold (min)	20.		10.
I	824.	856.	855.	829.	825.
Reference	Breme, Langle, et al., 2008	Flamini, Tebano, et al., 2008	Forero, Quijano, et al., 2008	Frerot, Velluz, et al., 2008	Kumazawa, Itobe, 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	HP-5	HP-5 MS	DB-5	DB-5
Column length (m)	30.	10.	30.	30.	60.
Carrier gas	Helium	Helium	Helium	He	Helium
Substrate
Column diameter (mm)	0.25	0.10	0.25	0.25	0.32
Phase thickness (μm)	0.25	0.40	0.25	0.25	1.0
T_start (C)	50.	40.	50.	35.	35.
T_end (C)	250.	280.	230.	220.	240.
Heat rate (K/min)	3.	20.	3.	3.	15.
Initial hold (min)	2.	1.	10.		7.
Final hold (min)	10.	1.	10.	40.	10.
I	849.	861.	855.	842.	854.
Reference	Lo Presti, Sciarrone, et al., 2008	Mildner-Szkudlarz and Jelen, 2008	Adams, Beauchamp, et al., 2007	El-Ghorab A., El-Massry K.F., et al., 2007	Gogus, Ozel, et al., 2007
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	CP Sil 8 CB	DB-5	DB-5	HP-5	HP-5
Column length (m)	30.	30.	30.	25.	25.
Carrier gas	Helium	Helium
Substrate
Column diameter (mm)	0.25	0.25	0.25	0.2	0.2
Phase thickness (μm)	0.25	0.25	0.25	0.32	0.32
T_start (C)	50.	60.	40.	40.	40.
T_end (C)	280.	220.	210.	250.	250.
Heat rate (K/min)	5.	4.	2.	5.	5.
Initial hold (min)	3.			1.	1.
Final hold (min)			33.
I	860.	857.	855.	857.	861.
Reference	Marques, Wendler, et al., 2007	Morteza-Semnani, Saeedi, et al., 2007	Sylvestre, Longtin, et al., 2007	Tapia, Perich, et al., 2007	Tapia, Perich, et al., 2007
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	Elite-5MS	HP-5 MS	HP-1	Ultra-2	DB-1
Column length (m)	30.	30.	50.	25.	60.
Carrier gas	He	Helium	N2	H2	Nitrogen
Substrate
Column diameter (mm)	0.32	0.25	0.2	0.25	0.25
Phase thickness (μm)	0.5	0.25	0.33	0.33
T_start (C)	40.	60.	60.	40.	40.
T_end (C)	280.	280.	250.	280.	200.
Heat rate (K/min)	4.	3.	2.	3.	2.
Initial hold (min)	5.			2.	1.
Final hold (min)	10.		20.	10.	9.
I	852.	855.	825.	853.	826.
Reference	Tava, Pecetti, et al., 2007	Tsokou, Georgopoulos, et al., 2007	Berlioz, Cordella, et al., 2006	Ceva-Antunes, Bizzo, et al., 2006	Chen, Sheu, et al., 2006
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	HP-5MS	HP-5	HP-5	DB-5	SPB-5
Column length (m)	30.	30.	30.	30.	30.
Carrier gas		He	Helium	He	Helium
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)	60.	50.	40.	60.	60.
T_end (C)	280.	300.	240.	220.	250.
Heat rate (K/min)	4.	5.	4.	4.	4.
Initial hold (min)		5.		5.	2.
Final hold (min)		5.	5.		20.
I	856.	852.	871.	856.	853.
Reference	Ebrahim Sajjadi and Mehregan, 2006	Figuérédo, Cabassu, et al., 2006	Miyazawa and Kawata, 2006	Morteza-Semnani K., Saeedi M., et al., 2006	Pino, Marquez, 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	HP-5	ZB-5	DB-5 MS
Column length (m)	30.	30.	30.	30.	30.
Carrier gas	Hydrogen	Hydrogen	H2	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)	70.	70.	50.	40.	40.
T_end (C)	280.	280.	280.	300.	200.
Heat rate (K/min)	4.	4.	4.	2.	8.
Initial hold (min)	4.	4.	2.		3.
Final hold (min)			10.		20.
I	854.	854.	854.	853.	844.
Reference	Pino, Marbot, et al., 2006	Pino, Marbot, et al., 2006	Pino, Sauri-Duch, et al., 2006	Sari M., Biondi D.M., et al., 2006	Schirack, Drake, et al., 2006
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	HP-1	BPX5	DB-5	DB-5	HP-5
Column length (m)	50.	25.	50.	30.	30.
Carrier gas	He	He		He	He
Substrate
Column diameter (mm)	0.2	0.20	0.3	0.25	0.25
Phase thickness (μm)	0.5	0.13	0.25	0.25	0.25
T_start (C)	60.	50.	60.	60.	50.
T_end (C)	250.	230.	240.	300.	300.
Heat rate (K/min)	2.	3.	2.	3.	5.
Initial hold (min)		2.		3.	5.
Final hold (min)	60.				5.
I	825.	850.	833.	864.	852.
Reference	Bendimerad and Bendiab, 2005	Boustie, Rapior, et al., 2005	Chagonda and Chalchat, 2005	Ferraz, Limberger, et al., 2005	Figuérédo, Cabassu, 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	BPX-5	MDN-5	DB-5	HP-5MS
Column length (m)	30.	30.	60.	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)	45.	40.	40.	60.	60.
T_end (C)	200.	200.	270.	220.	280.
Heat rate (K/min)	3.	5.	4.	4.	4.
Initial hold (min)	5.	8.	4.	4.
Final hold (min)		10.	5.
I	851.	855.	853.	855.	852.
Reference	Holland, Larkov, et al., 2005	Kalua, Allen, et al., 2005	van Loon, Linssen, et al., 2005	Morteza-Semnani and Saeedi, 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	DB-1	HP-5MS	HP-1	DB-5	DB-5
Column length (m)	30.	30.	50.	30.	25.
Carrier gas	He	He	N2	He	Nitrogen
Substrate
Column diameter (mm)	0.25	0.25	0.2	0.25	0.25
Phase thickness (μm)	0.25	0.25	0.33	0.25	0.25
T_start (C)	50.	60.	60.	60.	60.
T_end (C)	265.	280.	250.	240.	240.
Heat rate (K/min)	2.5	3.	2.	2.	3.
Initial hold (min)	1.	5.
Final hold (min)	20.		20.
I	824.	854.	827.	855.	840.
Reference	Sarkhail, Amin, et al., 2005	Setzer, Noletto, et al., 2005	Cavalli, Fernandez, et al., 2004	Cicció, 2004	JAvidnia, Mojab, et al., 2004
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	SE-54	DB-1	DB-1	DB-1	HP-5
Column length (m)	30.	60.	60.	30.	25.
Carrier gas	He	He	He	He	N2
Substrate
Column diameter (mm)	0.25	0.32	0.32	0.25	0.2
Phase thickness (μm)	0.25	0.25	0.25	0.25	0.5
T_start (C)	60.	35.	35.	50.	30.
T_end (C)	260.	230.	230.	265.	280.
Heat rate (K/min)	2.	2.	2.	2.5	3.
Initial hold (min)	5.	4.	4.	1.
Final hold (min)		25.	25.	20.
I	848.	822.	822.	824.	851.
Reference	Kilic, Hafizoglu, et al., 2004	Park, Lee, et al., 2004	Park, Lee, et al., 2004	Sarkhail, Amin, et al., 2004	Shafi, Nambiar, et al., 2004
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	SE-54	HP-5	DB-5	HP-5MS	RSL-200
Column length (m)	30.	25.	60.	30.	30.
Carrier gas	N2	He	He	He	H2
Substrate
Column diameter (mm)	0.25	0.2	0.25	0.25	0.32
Phase thickness (μm)	0.25	0.33	0.25	0.25	0.25
T_start (C)	40.	40.	35.	60.	40.
T_end (C)	200.	190.	280.	275.	280.
Heat rate (K/min)	5.	4.	5.	4.	6.
Initial hold (min)	4.		2.		5.
Final hold (min)	10.	5.	4.		5.
I	855.	837.	850.	850.	829.
Reference	Tura, Prenzler, et al., 2004	Azodanlou, Darbellay, et al., 2003	Dhanda, Pegg, et al., 2003	Ghannadi, Aghazari, et al., 2003	Jirovetz, Buchbauer, et al., 2003
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	MDN-5	HP-5	DB-5	DB-5	DB-5
Column length (m)	30.	30.	30.	30.	30.
Carrier gas	He	Helium	H2	He	H2
Substrate
Column diameter (mm)	0.25	0.32	0.25	0.25	0.3
Phase thickness (μm)	0.25		0.25	0.25	0.25
T_start (C)	40.	70.	60.	60.	35.
T_end (C)	280.	210.	280.	240.	240.
Heat rate (K/min)	20.	2.	4.	3.	8.
Initial hold (min)	1.		10.		2.5
Final hold (min)	1.	60.	40.		2.
I	861.	852.	854.	851.	850.
Reference	Mildner-Szkudlarz, Jelen, et al., 2003	Mookdasanit, Tamura, et al., 2003	Pino, Marbot, et al., 2003	da Silva, Luz, et al., 2003	Triqui and Bouchriti, 2003
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	HP-1	SPB-1	SPB-1	SPB-1	HP-5
Column length (m)	50.	30.	30.	30.	30.
Carrier gas	He	He	He	He	H2
Substrate
Column diameter (mm)	0.2	0.25	0.25	0.25	0.32
Phase thickness (μm)	0.5	0.25	0.25	0.25	0.25
T_start (C)	60.	40.	40.	40.	45.
T_end (C)	220.	200.	200.	200.	230.
Heat rate (K/min)	2.	3.	3.	3.	3.
Initial hold (min)		10.	10.	10.	1.
Final hold (min)	40.				10.
I	823.	824.	824.	824.	881.
Reference	Valette, Fernandez, et al., 2003	Vichi, Castellote, et al., 2003	Vichi, Pizzale, et al., 2003	Vichi, Pizzale, et al., 2003, 2	Darriet, Pons, 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	RSL-200	RSL-200	DB-5	DB-5
Column length (m)	30.	30.	30.	30.	30.
Carrier gas	He	H2	H2	He	He
Substrate
Column diameter (mm)	0.25	0.32	0.25	0.25	0.32
Phase thickness (μm)	0.25	0.25	0.25	0.25	0.25
T_start (C)	60.	40.	40.	60.	40.
T_end (C)	240.	280.	280.	240.	290.
Heat rate (K/min)	3.	6.	6.	3.	7.
Initial hold (min)		5.	2.
Final hold (min)		5.	10.
I	854.	830.	830.	853.	852.
Reference	Flamini, Ertugrul, et al., 2002	Jirovetz, Buchbauer, et al., 2002	Jirovetz, Smith, et al., 2002	Kobaisy, Tellez, et al., 2002	Lin, Rouseff, 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	SPB-5	DB-5	HP-5	HP-5
Column length (m)	30.	30.	30.	30.	30.
Carrier gas	He	Helium	He	N2	N2
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)	40.	60.	60.	60.	60.
T_end (C)	290.	250.	240.	220.	220.
Heat rate (K/min)	7.	4.	3.	5.	5.
Initial hold (min)		2.		10.	10.
Final hold (min)		20.
I	852.	854.	851.	854.	854.
Reference	Lin, Rouseff, et al., 2002	Pino, Marbot, et al., 2002	Tellez, Khan, et al., 2002	Campeol, Flamini, 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	RTX-1	OV-101	DB-5	BP-1	HP-5
Column length (m)	30.	50.	30.	25.	30.
Carrier gas	N2	N2	H2	N2	He
Substrate
Column diameter (mm)	0.25	0.25	0.32	0.33	0.25
Phase thickness (μm)	0.25		0.5	1.0	0.25
T_start (C)	60.	80.	60.	60.	60.
T_end (C)	300.	200.	245.	275.	275.
Heat rate (K/min)	4.	2.	3.	4.	4.
Initial hold (min)			3.
Final hold (min)			20.
I	831.	827.	854.	853.	853.
Reference	Kalemba, Marschall, et al., 2001	Yang, 2001	Kotseridis and Baumes, 2000	Mohagheghzadeh, Shams-Ardakani, et al., 2000	Mohagheghzadeh, Shams-Ardakani, et al., 2000, 2
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	OV-101	DB-5	HP-1	OV-101	DB-5
Column length (m)	50.	30.	25.	50.	30.
Carrier gas	Nitrogen	He	H2	N2	He
Substrate
Column diameter (mm)	0.25	0.25	0.32	0.2	0.25
Phase thickness (μm)		0.25	0.17		0.25
T_start (C)	40.	60.	40.	80.	60.
T_end (C)	200.	240.	260.	200.	240.
Heat rate (K/min)	2.	3.	3.	1.	3.
Initial hold (min)	10.		5.
Final hold (min)				20.
I	826.	853.	829.	830.	854.
Reference	Tamura, Boonbumrung, et al., 2000	Tellez, Dayan, et al., 2000	Lopes, Koketsu, et al., 1999	Menon, Chacko, et al., 1999	Tellez, Canel, et al., 1999
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	SE-54	CBP-1	HP-1	HP-1	Ultra-1
Column length (m)	25.	30.	25.	25.	50.
Carrier gas		He			He
Substrate
Column diameter (mm)	0.31	0.25	0.32	0.32	0.2
Phase thickness (μm)
T_start (C)	35.	60.	35.	35.	40.
T_end (C)	250.	240.	250.	250.	240.
Heat rate (K/min)	4.	4.	4.	4.	4.
Initial hold (min)	3.
Final hold (min)					10.
I	844.	854.	832.	824.	844.
Reference	Ding, Deng, et al., 1998	Lamarque, Maestri, et al., 1998	Ong and Acree, 1998	Ong, Acree, et al., 1998	Hashizume and Samuta, 1997
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	DB-5	OV-101	SPB-1	OV-101	OV-101
Column length (m)	30.	50.	50.	15.	15.
Carrier gas	Helium	He	He	He	He
Substrate
Column diameter (mm)	0.25	0.25	0.2	0.32	0.32
Phase thickness (μm)	0.25		0.33
T_start (C)	60.	50.	40.	35.	35.
T_end (C)	240.	250.	200.	250.	250.
Heat rate (K/min)	3.	2.	3.	6.	6.
Initial hold (min)			3.	3.	3.
Final hold (min)			30.
I	855.	828.	822.	826.	828.
Reference	Tellez, Estell, et al., 1997	Orav, Kailas, et al., 1996	Wong and Lai, 1996	Chisholm, Guiher, et al., 1995	Chisholm, Guiher, et al., 1995
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	DB-5 MS	HP-101	OV-101	DB-1	DB-1
Column length (m)	30.	50.	50.	30.	30.
Carrier gas	Helium	H2		He	He
Substrate
Column diameter (mm)	0.25	0.32	0.22	0.25	0.25
Phase thickness (μm)		0.3		0.25	0.25
T_start (C)	50.	65.	80.	50.	50.
T_end (C)	250.	300.	200.	240.	240.
Heat rate (K/min)	4.	2.	2.	5.	5.
Initial hold (min)		5.		3.	3.
Final hold (min)
I	848.	823.	832.	825.	826.
Reference	Gomez and Ledbetter, 1994	Demarne and van der Walt, 1993	Egolf and Jurs, 1993	Shiota, 1993	Shiota, 1993
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	OV-101	OV-101	DB-1	DB-5	DB-5
Column length (m)	50.	50.	60.	60.	60.
Carrier gas					He
Substrate
Column diameter (mm)	0.25	0.25	0.32	0.25	0.25
Phase thickness (μm)				0.25
T_start (C)	80.	80.	30.	40.	40.
T_end (C)	200.	200.	200.	250.	160.
Heat rate (K/min)	2.	2.	4.	2.	2.
Initial hold (min)			25.	5.	5.
Final hold (min)			20.
I	827.	827.	822.	856.	860.
Reference	Tamura, Yang, et al., 1993	Tamura, Yang, et al., 1993	Hansen, Buttery, et al., 1992	Lee, Macku, et al., 1991	Macku and Shibamoto, 1991
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	DB-1	DB-1	DB-1	DB-1	DB-1
Column length (m)	60.		60.	60.	60.
Carrier gas					He
Substrate
Column diameter (mm)	0.32		0.32		0.25
Phase thickness (μm)
T_start (C)	50.	50.	50.	30.	30.
T_end (C)	230.	230.	230.	200.	200.
Heat rate (K/min)	4.	4.	4.	4.	4.
Initial hold (min)				25.	25.
Final hold (min)	10.	10.	10.	30.	5.
I	822.	822.	823.	844.	822.
Reference	Binder, Benson, et al., 1990	Binder, Turner, et al., 1990	Binder, Turner, et al., 1990, 2	Buttery, Takeoka, et al., 1990	Buttery, Teranishi, et al., 1990
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	OV-101	OV-101	OV-101	OV-101	DB-1
Column length (m)	50.	50.	50.	50.	60.
Carrier gas	Nitrogen	Nitrogen	N2	N2
Substrate
Column diameter (mm)	0.25	0.25	0.25	0.25	0.32
Phase thickness (μm)
T_start (C)	70.	80.	80.	80.	50.
T_end (C)	200.	200.	200.	200.	250.
Heat rate (K/min)	2.	2.	2.	2.	4.
Initial hold (min)
Final hold (min)					5.
I	826.	830.	827.	827.	823.
Reference	Sugisawa, Nakamura, et al., 1990	Sugisawa, Nakamura, et al., 1990	Yang and Sugisawa, 1990	Yang and Sugisawa, 1990	Binder, Flath, et al., 1989
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	DB-1	OV-101	OV-101	OV-101	DB-1
Column length (m)	60.	50.	50.	50.	60.
Carrier gas		N2	N2	N2	He
Substrate
Column diameter (mm)	0.32	0.25	0.25	0.25	0.315
Phase thickness (μm)					0.25
T_start (C)	50.	80.	80.	80.	50.
T_end (C)	250.	200.	200.	200.	250.
Heat rate (K/min)	4.	2.	2.	2.	4.
Initial hold (min)	0.1
Final hold (min)	5.
I	824.	827.	825.	827.	822.
Reference	Binder and Flath, 1989	Sugisawa, Yamamoto, et al., 1989	Sugisawa, Yang, et al., 1989	Sugisawa, Yang, et al., 1989	Engel, Flath, et al., 1988
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	OV-1	OV-3	DB-1	OV-101	OV-101
Column length (m)	50.	150.	50.	50.	50.
Carrier gas	Hydrogen
Substrate
Column diameter (mm)	0.20	0.66	0.32	0.32	0.32
Phase thickness (μm)
T_start (C)	50.	20.	0.	40.	50.
T_end (C)	200.	170.	250.	225.	225.
Heat rate (K/min)	1.	1.	3.	4.	4.
Initial hold (min)				0.1	0.1
Final hold (min)	35.			30.	30.
I	817.	880.	824.	824.	823.
Reference	Wu, Liou, et al., 1987	Buttery, Xu, et al., 1985	Habu, Flath, et al., 1985	Stern, Flath, et al., 1985	Stern, Flath, et al., 1985
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary
Active phase	OV-101	SE-30
Column length (m)	50.	50.
Carrier gas	He
Substrate
Column diameter (mm)	0.31	0.5
Phase thickness (μm)
T_start (C)	0.	40.
T_end (C)	225.	170.
Heat rate (K/min)	3.	3.
Initial hold (min)	1.	3.
Final hold (min)
I	825.	825.
Reference	del Rosario, de Lumen, et al., 1984	Heydanek and McGorrin, 1981
Comment	MSDC-RI	MSDC-RI

References

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

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Holland, Larkov, et al., 2005
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Kalua, Allen, et al., 2005
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van Loon, Linssen, et al., 2005
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Morteza-Semnani and Saeedi, 2005
Morteza-Semnani, K.; Saeedi, M., The essential oil composition of Phlomis bruguieri Desf. from Iran, Flavour Fragr. J., 2005, 20, 3, 344-346, https://doi.org/10.1002/ffj.1459 . [all data]

Sajjadi S.E. and Eskandari B., 2005
Sajjadi S.E.; Eskandari B., Chemical constituents of the essential oil of Nepeta oxyodonta, Chem. Nat. Compd. (Engl. Transl.), 2005, 41, 2, 175-177, https://doi.org/10.1007/s10600-005-0106-y . [all data]

Sarkhail, Amin, et al., 2005
Sarkhail, P.; Amin, G.; Surmaghi, M.H.S.; Shafiee, A., Composition of the volatile oils of Phlomis lanceolata Boiss. Hohen., Phlomis anisodonta Boiss. and Phlomis bruguieri Desf. from Iran, Flavour Fragr. J., 2005, 20, 3, 327-329, https://doi.org/10.1002/ffj.1427 . [all data]

Setzer, Noletto, et al., 2005
Setzer, W.N.; Noletto, J.A.; Lawton, R.O.; Haber, W.A., Leaf essential oil composition of five Zanthoxylum species from Monteverde, Costa Rica, Molecular Diversity, 2005, 9, 1-3, 3-13, https://doi.org/10.1007/s11030-005-1298-6 . [all data]

Cavalli, Fernandez, et al., 2004
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Cicció, 2004
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JAvidnia, Mojab, et al., 2004
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Kotseridis and Baumes, 2000
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Tamura, Boonbumrung, et al., 2000
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Tellez, Dayan, et al., 2000
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Menon, Chacko, et al., 1999
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Ong and Acree, 1998
Ong, P.K.C.; Acree, T.E., Gas chromatography/olfactory analysis of lychee (Litchi chinesis Sonn.), J. Agric. Food Chem., 1998, 46, 6, 2282-2286, https://doi.org/10.1021/jf9801318 . [all data]

Ong, Acree, et al., 1998
Ong, P.K.C.; Acree, T.E.; Lavin, E.H., Characterization of volatiles in rambutan fruit (Nephelium lappaceum L.), J. Agric. Food Chem., 1998, 46, 2, 611-615, https://doi.org/10.1021/jf970665t . [all data]

Hashizume and Samuta, 1997
Hashizume, K.; Samuta, T., Green odorants of grape cluster stem and their ability to cause a wine stemmy flavor, J. Agric. Food Chem., 1997, 45, 4, 1333-1337, https://doi.org/10.1021/jf960635a . [all data]

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Wong and Lai, 1996
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Gomez and Ledbetter, 1994
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Demarne and van der Walt, 1993
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Egolf and Jurs, 1993
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Shiota, 1993
Shiota, H., New esteric components in the volatiles of banana fruit (Musa sapientum L.), J. Agric. Food Chem., 1993, 41, 11, 2056-2062, https://doi.org/10.1021/jf00035a046 . [all data]

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Hansen, Buttery, et al., 1992
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Lee, Macku, et al., 1991
Lee, S.-R.; Macku, C.; Shibamoto, T., Isolation and identification of headspace volatiles formed in heated butter, J. Agric. Food Chem., 1991, 39, 11, 1972-1975, https://doi.org/10.1021/jf00011a017 . [all data]

Macku and Shibamoto, 1991
Macku, C.; Shibamoto, T., Headspace volatile compounds formed from heated corn oil and corn oil with glycine, J. Agric. Food Chem., 1991, 39, 7, 1265-1269, https://doi.org/10.1021/jf00007a014 . [all data]

Binder, Benson, et al., 1990
Binder, R.G.; Benson, M.E.; Flath, R.A., Volatile Components of Safflower, J. Agric. Food Chem., 1990, 38, 5, 1245-1248, https://doi.org/10.1021/jf00095a020 . [all data]

Binder, Turner, et al., 1990
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Binder, Turner, et al., 1990, 2
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Buttery, Takeoka, et al., 1990
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Binder, Flath, et al., 1989
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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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Buttery, Xu, et al., 1985
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Habu, Flath, et al., 1985
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Stern, Flath, et al., 1985
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Heydanek and McGorrin, 1981
Heydanek, M.G.; McGorrin, R.J., Gas chromatography-mass spectroscopy identification of volatiles from rancid oat groats, J. Agric. Food Chem., 1981, 29, 5, 1093-1095, https://doi.org/10.1021/jf00107a051 . [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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