Benzaldehyde

Formula: C₇H₆O
Molecular weight: 106.1219
IUPAC Standard InChI: InChI=1S/C7H6O/c8-6-7-4-2-1-3-5-7/h1-6H
IUPAC Standard InChIKey: HUMNYLRZRPPJDN-UHFFFAOYSA-N
CAS Registry Number: 100-52-7
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.
Other names: Artificial Almond Oil; Benzaldehyde FFC; Benzenecarbonal; Benzenecarboxaldehyde; Benzoic aldehyde; Phenylmethanal; Almond artificial essential oil; Phenylmethanal benzenecarboxaldehyde; NCI-C56133; Oil of Bitter Almond; Artificial essential oil of almond; Benzene carbaldehyde; NA 1989; Artifical essential oil of almond; Artificial bitter almond oil; Benzenemethylal; Benzoyl hydride; Ethereal oil of bitter almonds; Benzylaldehyde; NSC 7917; Benzyaldehyde
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Information on this page:
Other data available:
Data at other public NIST sites:
- Gas Phase Kinetics Database
- X-ray Photoelectron Spectroscopy Database, version 5.0
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Normal alkane RI, non-polar column, custom temperature program

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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	TR-5 MS	TR-5 MS	SLB-5 MS	SLB-5 MS	Polydimethyl siloxane with 5 % Ph groups
Column length (m)	15.	15.	30.	30.
Carrier gas	Helium	Helium	Helium	Helium
Substrate
Column diameter (mm)	0.25	0.25	0.25	0.25
Phase thickness (μm)	0.25	0.25	0.25	0.25
Program	35 0C (3 min) 2 0C/min -> 60 0C (3 min) 2 0C/min -> 80 0C (3 min) 4 0C/min -> 120 0C (3 min) 5 0C/min -> 150 0C (3 min) 15 0C/min -> 240 0C (10 min)	35 0C (3 min) 2 0C/min -> 60 0C (3 min) 2 0C/min -> 80 0C (3 min) 4 0C/min -> 120 0C (3 min) 5 0C/min -> 150 0C (3 mion) 15 0C/min -> 240 0C (10 min)	not specified	not specified	not specified
I	952.	969.	960.	967.	969.
Reference	Kurashov, Mitrukova, et al., 2014	Kurashov, Krylova, et al., 2013	Mondello, 2012	Mondello, 2012	Robinson, Adams, et al., 2012
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	Polydimethyl siloxane with 5 % Ph groups	Siloxane, 5 % Ph		DB-5	5 % Phenyl polydimethyl siloxane
Column length (m)				30.
Carrier gas				Helium
Substrate
Column diameter (mm)				0.25
Phase thickness (μm)				0.25
Program	not specified	not specified	not specified	not specified	not specified
I	972.	956.	960.	960.	961.
Reference	Robinson, Adams, et al., 2012	VOC BinBase, 2012	Brandi, Bar, et al., 2011	Cao, Li, et al., 2011	Chaverri, Diaz, et al., 2011
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	Polydimethyl siloxane, 5 % phenyl	ZB-1 MS
Column length (m)	30.	30.	60.		30.
Carrier gas	Hydrogen	Helium	Helium		Helium
Substrate
Column diameter (mm)	0.25	0.32	0.25		0.25
Phase thickness (μm)	0.25	0.25	1.00		0.25
Program	30 0C 3 0C/min -> 150 0C 20 0C/min -> 220 0C	not specified	40 0C 4 0C/min -> 230 0C 100 0C/min -> 260 0C (11.7 min)	not specified	50 0C 3 0C/min -> 150 0C (10 min) 10 0C/min -> 250 0C
I	963.	960.	985.	956.	982.
Reference	de Freitas, Garruti, et al., 2011	Kahriman, Tosun, et al., 2011	Miyazaki, Plotto, et al., 2011	Skogerson, Wohlgemuth, et al., 2011	Al-Reza, Rahman, et al., 2010
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	HP-5 MS	DB-1	ZB-1 MS
Column length (m)	30.	30.	30.	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
Program	Multi-rise program	not specified	not specified	not specified	50 0C 3 0C/min -> 150 0C (10 min) 10 0C/min -> 250 0C
I	965.	960.	960.	961.	982.
Reference	Di Giusto, Bessiere, et al., 2010	Kahriman, Tosun, et al., 2010	Pino, Marquez, et al., 2010	Xu, Tang, et al., 2010	Al-Reza, Rahman, et al., 2009
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	DB-1	HP-5 MS	HP-5 MS	DB-1	DB-1
Column length (m)	60.	30.	30.	30.	30.
Carrier gas	Helium	Helium	Helium	Hydrogen	Hydrogen
Substrate
Column diameter (mm)	0.25	0.25	0.25	0.25	0.25
Phase thickness (μm)	0.25	0.25	0.25	0.25	0.25
Program	50 0C (5 min) 3 0C/min -> 120 0C 5 0C/min -> 250 0C (3 min) 15 0C/min -> 300 0C (20 min)	40 0C (3 min) 3 0C/min -> 160 0C (2 min) 8 0C/min -> 220 0C (3 min)	40 0C (5 min) 2 0C/min -> 270 0C -> 260 0C (20 min)	45 0C 3 0C/min -> 175 0C 15 0C/min -> 300 0C (10 min)	45 0C 3 0C/min -> 175 0C 15 0C/min -> 300 0C (10 min)
I	934.	962.	963.	927.	927.
Reference	Delort and Jaquier, 2009	Fan, Lu, et al., 2009	Mancini, Arnold, et al., 2009	Mendes, Trindade, et al., 2009	Mendes, Trindade, et al., 2009, 2
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	HP-5	HP-5	ZB-5	DB-5	CP-Sil 5 Cb
Column length (m)	50.	60.	30.	30.	50.
Carrier gas	Helium	Helium	Helium	Helium	Nitrogen
Substrate
Column diameter (mm)	0.32	0.25	0.25	0.25	0.32
Phase thickness (μm)	1.05	0.25	0.25	0.25	1.20
Program	not specified	30 0C (2 min) 2 0Cmin -> 60 0C 10 0C/min -> 100 0C 20 0C/min -> 140 0C 10 0C/min -> 200 0C (10 min)	45 0C 3 0C/min -> 230 0C (10 min) 10 0C/min -> 270 0C (21 min)	not specified	40 0C 20 0C/min -> 85 0C 1 0C/min -> 145 0C 3 0C/min -> 250 0C (30 min)
I	965.	969.	962.	961.	930.
Reference	Pugliese, Sirtori, et al., 2009	Rotsatschakul, Visesanguan, et al., 2009	de Simon, Estruelas, et al., 2009	Bastos, Ishimoto, et al., 2008	Collin, Nizet, 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	SLB-5 MS	CP Sil 8 CB	HP-5	HP-5
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
Program	50 0C 3 0C/min -> 250 0C (1 min) 10 0C/min -> 300 0C (5 min)	not specified	60C => 2.5C/min => 170C => 10C/min => 250C (5min)	40 0C (3 min) 3 0C/min -> 160 0C (2 min) 8 0C/min -> 220 0C (3 min)	not specified
I	960.	952.	961.	958.	968.
Reference	Costa, De Fina, et al., 2008	Costa, De Fina, et al., 2008	Kristiawan, Sobolik, et al., 2008	Qiao, Xie, et al., 2008	Qiao, Xie, et al., 2008
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	SLB-5MS	DB-5 MS	HP-5 MS	HP-5 MS	HP-5
Column length (m)	10.	30.	30.	30.	30.
Carrier gas	Helium	Helium	Helium	Helium
Substrate
Column diameter (mm)	0.18	0.32	0.25	0.25	0.25
Phase thickness (μm)	0.18	1.0	0.25	0.25	0.25
Program	not specified	-10 0C (3 min) 50 0C/min -> 40 0C 5 0C/min -> 290 0C (5 min)	40 0C (2 min) 4 0C/min -> 220 0C 20 0C/min -> 280 0C	40 0C (2 min) 4 0C/min -> 220 0C 20 0C/min -> 280 0C	40 0C (2 min) 5 0C/min -> 80 0C 7 oC/min -> 160 0C 9 0C/min -> 200 0C 20 0C/min -> 280 0C (10 min)
I	960.	970.	958.	961.	959.
Reference	Risticevic, Carasek, et al., 2008	Watanabe, Ueda, et al., 2008	Xie, Sun, et al., 2008	Xie, Sun, et al., 2008	Zhao, Li, et al., 2008
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	HP-5	DB-5 MS	DB-5 MS	HP-1	DB-5
Column length (m)	30.	30.	30.	50.	30.
Carrier gas		Helium	Helium	He
Substrate
Column diameter (mm)	0.25	0.25	0.25	0.2	0.25
Phase thickness (μm)	0.25	0.25	0.25	0.33	0.25
Program	not specified	50 0C (2.8 min) 5.5 0C/min -> 140 0C (1 min) 4.5 oC/min -> 220 0C -> 225 0C (2 min) 3.4 0C/min -> 265 0C (5 min)	50 0C (2.8 min) 5.5 0C/min -> 140 0C (1 min) 4.5 oC/min -> 220 0C -> 225 0C (2 min) 3.4 0C/min -> 265 0C (5 min)	40C(2min) => 2C/min => 200C => 15C/min => 250C (30min)	50C(1min) => 5C/min => 100C => 10C/min => 250C (9min)
I	986.	920.	960.	930.	962.
Reference	Zhao, Li, et al., 2008	Zhu, Li, et al., 2008	Zhu, Li, et al., 2008	Barra, Baldovini, et al., 2007	Beaulieu and Lancaster, 2007
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	DB-5 MS	DB-5 MS	HP-5MS	HP-5 MS	HP-5MS
Column length (m)	30.	30.	30.	30.	30.
Carrier gas	Helium	Helium	He	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
Program	45 0C (0.75 min) 10 0C/min -> 200 0C 30 0C/min -> 245 0C (1.25 min)	45 0C (0.75 min) 10 0C/min -> 200 0C 30 0C/min -> 245 0C (1.25 min)	40C => 3C/min => 100C => 5C/min => 230C(2min)	40 0C (5 min) 2 0C/min -> 250 0C (15 min) 10 0C/min -> 270 0C	50C(2min) => 20C/min => 80C (1min) => 20C/min => 100C(1min) => 30C/min => 230C(3min)
I	972.	972.	958.	963.	956.
Reference	Cajka, Hajslova, et al., 2007	Cajka, Hajslova, et al., 2007	Chokeprasert P., Charles A.L., et al., 2007	Formisano, Rigano, et al., 2007	Ho, Wan Aida, et al., 2007
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	DB-1	DB-5 MS	DB-5	CP Sil 8 CB	HP-1
Column length (m)	60.	60.	30.	30.	30.
Carrier gas	N2	Helium	He	He	He
Substrate
Column diameter (mm)	0.25	0.32	0.25	0.25	0.2
Phase thickness (μm)	0.25	1.0	0.25	0.25	0.33
Program	40C(1min) => 5C/min => 150C => 10C/min => 200C(9min)	40 0C (2 min) 6 0C/min -> 100 0C 4 0C/min -> 180 0C 8 0C/min -> 250 0C (12 min)	not specified	50C(3min) => 3C/min => 100C => 2.7C/min => 140C => 2.4C/min => 180C => 6C/min => 250C	60C(5min) => 3C/min => 180C => 20C/min => 280C(10min)
I	921.	973.	961.	963.	966.
Reference	Lin, Peng, et al., 2007	Liu, Xu, et al., 2007	Machado, Bastos, et al., 2007	Meekijjaroenroj, Bessière, et al., 2007	Merle, Verdeguer, 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	HP-5MS	HP-5
Column length (m)	50.	30.		30.	26.
Carrier gas	Helium	Helium	He	He	He
Substrate
Column diameter (mm)	0.32	0.25		0.25	0.2
Phase thickness (μm)	0.25				0.25
Program	60 0C (1 min) 5 0C/min -> 160 0C 10 0C/min -> 250 0C	40 0C (10 min) 3 oC/min -> 200 0C 2 0C/min -> 220 0C	50C => 3C/min => 200C(10min) => 10C/min => 290C(10min)	40C(10min) => 3C/min => 200C => 2C/min => 220C	60C(5min) => 6C/min => 200C => 15C/min => 250C(5min)
I	960.	968.	949.	973.	938.
Reference	Nivinsliene, Butkiene, et al., 2007	Setzer, Stokes, et al., 2007	Splivallo, Bossi, et al., 2007	Takaku, Haber, et al., 2007	Baroni, Nores, 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	Ultra-2	OV-101	BP-5	HP-5 MS
Column length (m)	30.	25.		30.	30.
Carrier gas		H2		He	Helium
Substrate
Column diameter (mm)	0.25	0.25		0.25	0.25
Phase thickness (μm)	0.75	0.33		1.	0.25
Program	50C(1min) => 5C/min => 100C => 10C/min => 190C => 30C/min => 250C(1min)	not specified	not specified	40C(2min) => 4C/min => 150C => 8C/min => 250C (15min)	40 0C (10 min) 3 0C/min -> 200 0C 2 0C/min -> 220 0C
I	966.	961.	951.	964.	961.
Reference	Beaulieu J.C. and Lea J.M., 2006	Ceva-Antunes, Bizzo, et al., 2006	Ebrahimi and Hadjmohammadi, 2006	Helsper, Bücking, et al., 2006	Schmidt, Noletto, et al., 2006
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	SE-52	RTX-5	RTX-5	HP-5MS	DB-5MS
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)	0.15	0.25	0.25	0.25	0.25
Program	45C => 1C/min => 100C => 5C/min => 250C (10min)	not specified	not specified	40C(3min) => 2C/min => 180C => 10C/min => 250C(5min)	70C(2min) => 10C/min => 150C(15min) => 5C/min => 240C
I	963.	965.	968.	962.	989.
Reference	Tognolini, Barocelli, et al., 2006	Ádámová, Orinák, et al., 2005	Ádámová, Orinák, et al., 2005	Alissandrakis, Kibaris, et al., 2005	Bagci and Baser, 2005
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	Methyl Silicone	DB-1	CP-Sil5 CB MS	Polydimethyl siloxane with 5 % Ph groups	HP-5
Column length (m)	60.	60.	50.
Carrier gas	Helium	He
Substrate
Column diameter (mm)	0.32	0.32	0.32
Phase thickness (μm)	1.0	0.25	1.2
Program	-50 0C (2 min) 8 0C/min -> 200 0C (7.75 min) 25 0C -> 225 0C (8 min)	33C(5min) => 2C/min => 50c => 5C/min => 225C	36C(2min) => 20C/min => 85C => 1C/min => 145C => 3C/min => 250C(30min)	not specified	not specified
I	940.	917.	930.	960.	953.
Reference	Blunden, Aneja, et al., 2005	Cramer, Mattinson, et al., 2005	Iraqi, Vermeulen, et al., 2005	Pino, Marbot, et al., 2005	Riu-Aumatell, Lopez-Tamames, et al., 2005
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	HP-5 MS	CP Sil 5 CB	SPB-5	HP-5	DB-5
Column length (m)	30.	50.	30.	50.	50.
Carrier gas	Helium		He
Substrate
Column diameter (mm)	0.25	0.32	0.25	0.32	0.32
Phase thickness (μm)	0.25	1.2	0.25	1.05	1.05
Program	35 0C (1 min) 120 0C/min -> 60 0C 1.5 0C/min -> 100 0C 5 0C/min -> 280 0C	36C => 20C/min => 85C => 1C/min => 145C => 3C/min => 250C(30min)	30C(3min) => 5C/min => 80C => 4C/min => 95C => 5C/min => 115C => 10C/min => 200C	40C(10min) => 5C/min => 200C => 20C/min => 250C(5min)	40C(10min) => 5C/min => 200C => 20C/min => 250C (5min)
I	962.	933.	974.	970.	970.
Reference	Turchini, Giani, et al., 2005	Counet, Ouwerx, et al., 2004	Crook, Boylston, et al., 2004	Garcia-Estaban, Ansorena, et al., 2004	Garcia-Estaban, Ansorena, et al., 2004, 2
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	MDN-5	SE-30	DB-1	SPB-5	DB-5
Column length (m)	30.		30.	60.	60.
Carrier gas	Helium		H2
Substrate
Column diameter (mm)	0.25		0.25	0.32	0.25
Phase thickness (μm)	0.25		0.25	1.	0.25
Program	35 0C (1 min) 120 0C/min -> 60 0C 2 0C/min -> 280 0C	not specified	40C(10min) => 2C/min => 110C => 5C/min => 200C(10min)	not specified	35C => 5C/min => 120C => 2C/min => 160C => 7C/min => 250C
I	945.	947.	969.	964.	966.
Reference	Turchimi, Mentasti, et al., 2004	Vinogradov, 2004	Alves and Franco, 2003	Begnaud, Pérès, et al., 2003	Chung, Heymann, 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	SE-54			CP Sil 5 CB
Column length (m)	30.	50.			50.
Carrier gas		H2
Substrate
Column diameter (mm)	0.25	0.20			0.32
Phase thickness (μm)	0.25	0.25			1.2
Program	40C(6min) => 2.5C/min => 150C => 90C/min => 250C	50 0C (8 min) 1 0C/min -> 75 0C 2 0C/min -> 110 0C 5 0C/min -> 200 0C	not specified	not specified	36C => 20C/min => 85C => 1C/min => 145C=3C/min => 250C(30min)
I	962.	969.	925.	926.	935.
Reference	Jordán, Margaría, et al., 2003	Bastos, Franco, et al., 2002	Bruce, Cork, et al., 2002	Bruce, Cork, et al., 2002	Counet, Callemien, 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	CP Sil 5 CB	HP-5	HP-5	Methyl phenyl siloxane (not specified)
Column length (m)		50.	30.	30.
Carrier gas		He
Substrate
Column diameter (mm)		0.32	0.25	0.25
Phase thickness (μm)		1.2	0.25	0.25
Program	not specified	36C => 20C/min => 85C => 1C/min => 145C => 3C/min => 250C	not specified	not specified	not specified
I	937.	933.	962.	954.	966.
Reference	Fu, Yoon, et al., 2002	Guyot-Declerck, Renson, et al., 2002	Jordán, Goodner, et al., 2002	Jordán, Goodner, et al., 2002	Poligne, Collignan, 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	DB-5	DB-5	DB-5	HP-5MS
Column length (m)	30.	30.	30.		30.
Carrier gas					He
Substrate
Column diameter (mm)	0.20	0.20	0.20		0.25
Phase thickness (μm)	1.0	1.0	1.0		0.25
Program	not specified	not specified	not specified	not specified	40C (10min) => 3C/min => 120C => 10C/min => 250C (5min)
I	953.	953.	953.	968.	959.
Reference	Rapior, Breheret, et al., 2002	Rapior, Breheret, et al., 2002	Rapior, Breheret, et al., 2002	Staples E.S., 2002	Ansorena, Gimeno, 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	Methyl Silicone	CP Sil 8 CB	DB-5 MS	BPX-5
Column length (m)	50.		60.	30.	30.
Carrier gas	He			Helium	He
Substrate
Column diameter (mm)	0.25		0.25	0.25	0.25
Phase thickness (μm)	1.		0.25	1.0	0.25
Program	-50C => 49.9C/min => 5C(3min) => 3C/min => 50C => 5C/min => 220C(20 min)	not specified	not specified	not specified	50C(2min) => 10C/min => 110C => 5.7C/min => 200C => 40C/min => 250C(5min)
I	920.42	965.	983.	972.	986.
Reference	Cooke, Hassoun, et al., 2001	N/A	Duckham, Dodson, et al., 2001	Luo and Agnew, 2001	Sides, Robards, et al., 2001
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	HP-1	OV-101	HP-5	BPX-5	CP Sil 5 CB
Column length (m)	50.	50.	30.	50.	50.
Carrier gas	N2	N2	He	Helium	He
Substrate
Column diameter (mm)	0.32	0.25	0.25	0.32	0.32
Phase thickness (μm)	0.52		0.25	0.50
Program	40C => 2C/min => 130C => 4C/min => 250C	not specified	40C (10min) => 3C/min => 120C => 10C/min => 250C (5min)	40 0C (5 min) 20 0C/min -> 60 0C (5 min) 4 0C/min -> 250 0C (10 min)	30C => 55C/min => 85C => 1C/min => 145C => 3C/min => 250C
I	928.	947.	959.	982.	940.
Reference	Teai, Claude-Lafontaine, et al., 2001	Yang, 2001	Ansorena, Astiasarán, et al., 2000	Madruga, Arruda, et al., 2000	Guyot, Scheirman, 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	SE-54	CP Sil 5 CB	DB-5	HP-1
Column length (m)	25.	25.	50.	30.	25.
Carrier gas			He	He
Substrate
Column diameter (mm)	0.31	0.31	0.32	0.32	0.32
Phase thickness (μm)			1.2	0.25
Program	not specified	not specified	30C => 55C/min => 85C => 1C/min => 145C => 3C/min => 250C	35C(1min) => 40C/min => 60C (1min) => 6C/min => 230C	not specified
I	955.	956.	939.	959.	926.
Reference	Ding, Deng, et al., 1998	Ding, Deng, et al., 1998	Guyot, Bouseta, et al., 1998	Matsui, Guth, et al., 1998	Ong, Acree, et al., 1998
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	HP-5	SPB-1	DB-5	DB-5	DB-5
Column length (m)	50.	60.	50.	50.	50.
Carrier gas	He	He	He	He	He
Substrate
Column diameter (mm)	0.32	0.53	0.32	0.32	0.32
Phase thickness (μm)	0.52	5.	0.25	0.25	0.25
Program	35 0C 10 0C/min -> 200 0C (20 min) 5 0C/min -> 230 0C (50 min)	40C(6min) => 5C/min => 80C => 10C/min => 200C	40C(10min) => 3C/min => 95C => 10C/min => 270C(10min)	40C (10min) => 3C/min => 95C => 10C/min => 270C (10min)	40C (10min) => 3C/min => 95C => 10C/min => 270C (10min)
I	961.	948.	973.	971.	972.
Reference	Timón, Ventanas, et al., 1998	Flanagan, Streete, et al., 1997	Mateo, Aguirrezábal, et al., 1997	Mateo and Zumalacárregui, 1996	Mateo and Zumalacárregui, 1996
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	RSL-150	DB-1	DB-5	DB-1	SPB-1
Column length (m)	60.	60.	30.	60.	60.
Carrier gas	He				Helium
Substrate
Column diameter (mm)	0.32	0.32	0.25	0.32	0.53
Phase thickness (μm)	0.25	0.25		0.25	5.0
Program	30c (1.5min) => 20C/min => 55C => 6C/min => 200C(10min)	not specified	not specified	3 min at 5 C; 5 - 50 C at 3 deg/min; 50 - 220 C at 5 deg/min	40 0C (6 min) 5 0C/min -> 80 0C 10 0C/min -> 200 0C
I	931.	924.	960.	924.	948.
Reference	Buchbauer, Nikiforov, et al., 1994	Ciccioli, Cecinato, et al., 1994	Garneau, Bouhajib, et al., 1994	Ciccioli, Brancaleoni, et al., 1993	Strete, Ruprah, et al., 1992
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	SPB-1	SE-54	DB-1	DB-1	DB-1
Column length (m)	60.	50.	60.	30.	30.
Carrier gas	Helium	He		H2	H2
Substrate
Column diameter (mm)	0.53	0.32	0.32	0.25	0.25
Phase thickness (μm)	5.0			0.25	0.25
Program	not specified	35 0C (5 min) 8 0C/min -> 200 0C 2 0C/min -> 250 0C	not specified	30C (2min) => 2C/min => 150C => 4C/min => 250C	30C (2min) => 2C/min => 150C => 4C/min => 250C
I	956.	976.	926.	917.	926.
Reference	Strete, Ruprah, et al., 1992	Um, Bailey, et al., 1992	Binder, Flath, et al., 1989	Takeoka, Flath, et al., 1988	Takeoka, Flath, et al., 1988
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary
Active phase	OV-101	OV-1, SE-30, Methyl silicone, SP-2100, OV-101, DB-1, etc.	OV-1, SE-30, Methyl silicone, SP-2100, OV-101, DB-1, etc.	OV-1
Column length (m)		50.	50.
Carrier gas		Hydrogen	Hydrogen
Substrate
Column diameter (mm)		0.32	0.32
Phase thickness (μm)
Program	not specified	not specified	not specified	not specified
I	947.	929.	961.	947.
Reference	Shibamoto, 1987	Waggott and Davies, 1984	Waggott and Davies, 1984	Ramsey and Flanagan, 1982
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

References

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

Kurashov, Mitrukova, et al., 2014
Kurashov, E.A.; Mitrukova, G.G.; Krylova, Yu.V., Variations in the component composition of essential oil of Ceratophyllum demersum (Ceratophyllaceae) during vegetation (in press), Plant Resources (Rastitel'nye Resursy), 2014, 1, 000-000. [all data]

Kurashov, Krylova, et al., 2013
Kurashov, E.A.; Krylova, Yu.V.; Mitrukova, G.G., Variations in component composition of essential oil of Potamogeton pusillus (Potamogetonaceae) dirong vegetation, Plant Resources (Rastitel'nye Resursy), 2013, 000-000. [all data]

Mondello, 2012
Mondello, L., HS-SPME-GCxGC-MS analysis of Yerba Mate (Ilex paraguariensis) in Shimadzu GC-GC application compendium of comprehensive 2D GC, Vol. 1-5, Shimadzu Corp., 2012, 1-29. [all data]

Robinson, Adams, et al., 2012
Robinson, A.L.; Adams, D.O.; Boss, P.K.; Heymann, H.; Solomon, P.S.; Trengove, R.D., Influence of geographic origine on the sensory characteristics and wine composition of Vitus viniferas cv. Cabernet Sauvignon wines from Australia (Supplemental data), Am. J. Enol. Vitic., 2012, 64, 4, 467-476, https://doi.org/10.5344/ajev.2012.12023 . [all data]

VOC BinBase, 2012
VOC BinBase, The volatile compound BinBase (VOC BinBase), 2012, retrieved from http://fiehnlab.ucdavis.edu/projects/VocBinBase and http://binbase.sourceforge.net. [all data]

Brandi, Bar, et al., 2011
Brandi, F.; Bar, E.; Mourgues, F.; Horvath, G.; Turcsi, E.; Giuliano, G.; Liverani, A.; Tartarini, S.; Lewinsohn, E.; Rosati, C., Study of Redhaven peach and its white-fleshed mutant suggests a key role of CCD4 carotenoid dioxygenase in carotenoid and norisoprenoid volatile metabolism, BMC Plant Biol., 2011, 11, 24, 1-14. [all data]

Cao, Li, et al., 2011
Cao, H.; Li, Z.; Chen, X., QSRR study of GC retention indices of volatile compounds emitted from Mosla chinensis Maxim. by multiply linear regression, Chin. J. Chem., 2011, 29, 10, 2187-2196, https://doi.org/10.1002/cjoc.201180379 . [all data]

Chaverri, Diaz, et al., 2011
Chaverri, C.; Diaz, C.; Cicco, J.F., Chemical analysis of essential oils from Ocotea gomezii W.C. Burger and Ocotea morae Gomez-Laur. (Lauraceae) collected at Reserva biologica Alberto M. Brenes in Costa Rica and their cytotoxic activity on Tumor cell lines, J. Braz. Chem. Soc., 2011, 22, 4, s1-s4, https://doi.org/10.1590/S0103-50532011000400018 . [all data]

de Freitas, Garruti, et al., 2011
de Freitas, V.M.; Garruti, D. dosS.; Souza Neto, M.A.; Facundo, H.V. daV.; Correia, J.M., Stability of volatile profile and sensory properties of passion fruit during storage in glass bottles, Ciencia e Tecnologia de Alimentos, Campinas, 2011, 31, 2, 349-354, https://doi.org/10.1590/S0101-20612011000200011 . [all data]

Kahriman, Tosun, et al., 2011
Kahriman, N.; Tosun, G.; Terzioglu, S.; Karaoglu, S.A.; Yayh, N., Chemical composition and antimicrobial activity of the essential oils from the flower, leaf, and stem of Senecio pandurifolis, Rec. Nat. Prod., 2011, 5, 2, 82-91. [all data]

Miyazaki, Plotto, et al., 2011
Miyazaki, T.; Plotto, A.; Goodner, K.; Gmitter F.G., Distribution of aroma volatile compounds in tangerine hybrids and proposed inheritance, J. Sci. Food Agric., 2011, 91, 3, 449-460, https://doi.org/10.1002/jsfa.4205 . [all data]

Skogerson, Wohlgemuth, et al., 2011
Skogerson, K.; Wohlgemuth, G.; Fiehn, O., VocBinNase, 2011, retrieved from http://fiehnlab.ucdavis.edu/projects//VocBinBase. [all data]

Al-Reza, Rahman, et al., 2010
Al-Reza, S.M.; Rahman, A.; Lee, J.; Kang, S.C., Potential roles of essential oil and organic extracts of Zizyphus jujuba in inhibiting food-borne pathogens, Food Chem., 2010, 119, 3, 981-986, https://doi.org/10.1016/j.foodchem.2009.07.059 . [all data]

Di Giusto, Bessiere, et al., 2010
Di Giusto, B.; Bessiere, J.-M.; Gueroult, M.; Lim, L.B.L.; Marshall, D.J.; Hossaert-McKey, M.; Gaume, L., Flower-scent mimicry masks a deadly trap in the carnivorous plant Nepenthes raffesiana, J. Ecology, 2010, 98, 4, 845-856, https://doi.org/10.1111/j.1365-2745.2010.01665.x . [all data]

Kahriman, Tosun, et al., 2010
Kahriman, N.; Tosun, G.; Genc, H.; Yayli, N., Comparative essential oil analysis of Geranium sylvaticum estracted by hydrodistillation and microwave distillation, Turk. J. Chem., 2010, 34, 969-976. [all data]

Pino, Marquez, et al., 2010
Pino, J.A.; Marquez, E.; Quijano, C.E.; Castro, D., Volatile compounds in noni (Morinda citrifolia L.) at two ripening stages, Ciencia e Technologia de Alimentos, 2010, 30, 1, 183-187, https://doi.org/10.1590/S0101-20612010000100028 . [all data]

Xu, Tang, et al., 2010
Xu, X.; Tang, Z.; Liang, Y., Comparative analysis of plant essential oils by GC-MS coupled with integrated chemometric resolution methods, Anal. Methods, 2010, 2, 4, 359-367, https://doi.org/10.1039/b9ay00213h . [all data]

Al-Reza, Rahman, et al., 2009
Al-Reza, S.M.; Rahman, A.; Kang, S.C., Chemical composition and inhibitory effect of essentiasl oil and organic extracts of Cestrum nocturnum L. om food-borne pathogens, Int. J. Food Sci. Technol., 2009, 44, 6, 1176-1182, https://doi.org/10.1111/j.1365-2621.2009.01939.x . [all data]

Delort and Jaquier, 2009
Delort, E.; Jaquier, A., Novel terpenyl esters from Australian finger lime (Citrus australasica) peel extract, Flav. Fragr. J., 2009, 24, 3, 123-132, https://doi.org/10.1002/ffj.1922 . [all data]

Fan, Lu, et al., 2009
Fan, G.; Lu, W.; Yao, X.; Zhang, Y.; Wang, K.; Pan, S., effect of fermentation on free and bound volatile compounds of orange juice, Flavour Fragr. J., 2009, 24, 5, 219-229, https://doi.org/10.1002/ffj.1931 . [all data]

Mancini, Arnold, et al., 2009
Mancini, E.; Arnold, N.A.; De Martino, L.; De Feo, V.; Formisano, C.; Rigano, D.; Senatore, F., Chemical composition and phytotoxic effects of essential oils of Salvia hierosolymitana Boiss. and Salvia multicaulis Vahl. var. simplicifolia Boiss. growing wild in Lebanon, Molecules, 2009, 14, 11, 4725-4736, https://doi.org/10.3390/molecules14114725 . [all data]

Mendes, Trindade, et al., 2009
Mendes, M.D.; Trindade, H.; Figueiredo, A.C.; Pedro, L.G.; Barroso, J.G., Chaerophyllum azoricun Trel. grown in the Azores archipelago, Portugal: evaluation of the genetic diversity using molecular markers and comparison with volatile oils profiles, Flavour Fragr. J., 2009, 24, 5, 259-265, https://doi.org/10.1002/ffj.1939 . [all data]

Mendes, Trindade, et al., 2009, 2
Mendes, M.D.; Trindade, H.; Figueiredo, A.C.; Barroso, J.G.; Fontinha, S.S.; Pedro, L.G., Volatile and molecular characterization of two Portuguese endemic species: Angelica lignescens and Melanoselinium decipiens, Biochen. Systematics Ecol., 2009, 37, 2, 98-105, https://doi.org/10.1016/j.bse.2008.12.006 . [all data]

Pugliese, Sirtori, et al., 2009
Pugliese, C.; Sirtori, F.; Ruiz, J.; Martin, D.; Parenti, S.; Franci, O., Effect of pasture on chestnut or acorn on fatty acid composition and aromatic profile of fat of China Senece dry-cured ham, Gracas y Aceites, 2009, 60, 3, 271-276, https://doi.org/10.3989/gya.130208 . [all data]

Rotsatschakul, Visesanguan, et al., 2009
Rotsatschakul, P.; Visesanguan, W.; Smitinont, T.; Chaiseri, S., Changes in volatile compounds during fermentation of nham (Thai fermented sausage), Int. Food Res. J., 2009, 16, 391-414. [all data]

de Simon, Estruelas, et al., 2009
de Simon, B.F.; Estruelas, E.; Munoz, A.M.; Cadahia, E.; Sanz, M., Volatile compounds in acacia, chestnut, cherry, ash, and oak woods, with a view to their use in cooperage, J. Agric. Food Chem., 2009, 57, 8, 3217-3227, https://doi.org/10.1021/jf803463h . [all data]

Bastos, Ishimoto, et al., 2008
Bastos, D.H.M.; Ishimoto, E.Y.; Marques, O.M.; Ferri, A.F.; Torres, E.A.F.S., Essential Oil and Antioxidant Activity of Green Mate and Mate Tea (Ilex paraguariensis) Infusions, 2008, retrieved from http://www.aseanfood.info/Articles/11016488.pdf. [all data]

Collin, Nizet, et al., 2008
Collin, S.; Nizet, S.; Muls, S.; Iraqi, R.; Bouseta, A., Characterization of odor-active compounds in extracts obtained by simultaneous extraction/distillation from Moroccan black olives, J. Agric. Food Chem., 2008, 56, 9, 3273-3278, https://doi.org/10.1021/jf073488x . [all data]

Costa, De Fina, et al., 2008
Costa, R.; De Fina, M.R.; Valentino, M.R.; Rustaiyan, A.; Dugo, P.; Dugo, G.; Mondello, L., An investigation on the volatile composition of some Artemisia species from Iran, Flavour Fragr. J., 2008, 24, 2, 75-82, https://doi.org/10.1002/ffj.1919 . [all data]

Kristiawan, Sobolik, et al., 2008
Kristiawan, M.; Sobolik, V.; Al-Haddad, M.; Allaf, K., Effect of pressure-drop rate on the isolation of cananga oil using instantaneous controlled pressure-drop process, Chem. Eng. Processing, 2008, 47, 1, 66-75, https://doi.org/10.1016/j.cep.2007.08.011 . [all data]

Qiao, Xie, et al., 2008
Qiao, Y.; Xie, B.J.; Zhang, Y.; Zhang, Y.; FAn, G.; Yao, X.L.; Pan, S.Y., Characterization of aroma active compounds in fruit juice and peel oil of Junchen sweet orange fruit (Citrus sinensis (L.) Osbeck) by GC-MS and GC-O, Molecules, 2008, 13, 6, 1333-1344, https://doi.org/10.3390/molecules13061333 . [all data]

Risticevic, Carasek, et al., 2008
Risticevic, S.; Carasek, E.; Pawliszyn, J., Headspace solid-phase microextraction-gas chromatographic-time-of-flight mass spectrometric methodology for geographical origin verification of coffee, Anal. Chim. Acta, 2008, 617, 1-2, 72-84, https://doi.org/10.1016/j.aca.2008.04.009 . [all data]

Watanabe, Ueda, et al., 2008
Watanabe, A.; Ueda, Y.; Higuchi, M.; Shiba, N., Analysis of volatile compounds in beef fat by dinamic-headspace solid phase microextraction combined with gas chromatography - mass spectrometry, J. Food Sci., 2008, 73, 5, 420-425, https://doi.org/10.1111/j.1750-3841.2008.00764.x . [all data]

Xie, Sun, et al., 2008
Xie, J.; Sun, B.; Zheng, F.; Wang, S., Volatile flavor constituents in roasted pork of mini-pig, Food Chem., 2008, 109, 3, 506-514, https://doi.org/10.1016/j.foodchem.2007.12.074 . [all data]

Zhao, Li, et al., 2008
Zhao, Y.; Li, J.; Xu, Y.; Duan, H.; Fan, W.; Zhao, G., EXtraction, preparation and identification of volatile compounds in Changyu XO brandy, Chinese J. Chromatogr., 2008, 26, 2, 212-222, https://doi.org/10.1016/S1872-2059(08)60014-0 . [all data]

Zhu, Li, et al., 2008
Zhu, M.; Li, E.; He, H., Determination of volatile chemical constitutes in tea by simultaneous distillation extraction, vacuum hydrodistillation and thermal desrption, Chromatographia, 2008, 68, 7/8, 603-610, https://doi.org/10.1365/s10337-008-0732-1 . [all data]

Barra, Baldovini, et al., 2007
Barra, A.; Baldovini, N.; Loiseau, A.-M.; Albino, L.; Lesecq, C.; Cuvelier, L.L., Chemical analysis of French beans (Phaseolus vulgaris L.) by headspace solid phase microextraction (HS-SPME) and simultaneous distillation/extraction (SDE), Food Chem., 2007, 101, 3, 1279-1284, https://doi.org/10.1016/j.foodchem.2005.12.027 . [all data]

Beaulieu and Lancaster, 2007
Beaulieu, J.C.; Lancaster, V.A., Correlating Volatile Compounds, Sensory Attributes, and Quality Parameters in Stored Fresh-Cut Cantaloupe, J. Agric. Food Chem., 2007, 55, 23, 9503-9513, https://doi.org/10.1021/jf070282n . [all data]

Cajka, Hajslova, et al., 2007
Cajka, T.; Hajslova, J.; Cochran, J.; Holadova, K.; Klimankova, E., Solid phase microextraction - comprehensive two dimensional gas chromatography - time-of-flight mass spectrometry for the analysis of honey volatiles, J. Sep. Sci., 2007, 30, 4, 534-546, https://doi.org/10.1002/jssc.200600413 . [all data]

Chokeprasert P., Charles A.L., et al., 2007
Chokeprasert P.; Charles A.L.; Sue K.H.; Huang T.C., Volatile components of the leaves, fruits and seeds of wampee [Clausena lansium (Lour.) Skeels], J. Food Comp. Anal., 2007, 20, 1, 52-56, https://doi.org/10.1016/j.jfca.2006.07.002 . [all data]

Formisano, Rigano, et al., 2007
Formisano, C.; Rigano, D.; Napolitano, F.; Senatore, F.; Arnold, N.A.; Piozzi, F.; Rosselli, S., Volatile constituents of Calamintha ariganifolia Boiss. growing wild in Lebanon, Natural Product Communications, 2007, 2, 12, 1253-1256. [all data]

Ho, Wan Aida, et al., 2007
Ho, C.W.; Wan Aida, W.M.; Maskat, M.Y.; Osman, H., Changes in volatile compounds of palm sap (Arenga pinnata) during the heating process for production of palm sugar, Food Chem., 2007, 102, 4, 1156-1162, https://doi.org/10.1016/j.foodchem.2006.07.004 . [all data]

Lin, Peng, et al., 2007
Lin, L.-Y.; Peng, C.-H.; Wang, H.-E.; Wu, T.-H.; Chen, C.-C.; Yu, T.-H.; Wu, C.-M.; Peng, R.Y., Factors affecting solid phase microextraction (SPME) to concentrate the odorants of Chinese white salted noodles for GC-MS analysis, Flavour Fragr. J., 2007, 22, 4, 274-279, https://doi.org/10.1002/ffj.1792 . [all data]

Liu, Xu, et al., 2007
Liu, Y.; Xu, X.-L.; Zhou, G.-H., Comparative study of volatile compounds in traditional Chinese Nanjing marinated duck by different extraction techniques, Int. J. Food Sci. Technol., 2007, 42, 5, 543-550, https://doi.org/10.1111/j.1365-2621.2006.01264.x . [all data]

Machado, Bastos, et al., 2007
Machado, C.C.B.; Bastos, D.H.M.; Janzantti, N.S.; Facanali, R.; Marques, M.M.; Franco, M.R.B., Determinação do perfil de compostos voláteis e avaliação do sabor e aroma de bebidas produzidas a partir da erva-mate (Ilex paraguariensis), Quim. Nova, 2007, 30, 3, 513-518, https://doi.org/10.1590/S0100-40422007000300002 . [all data]

Meekijjaroenroj, Bessière, et al., 2007
Meekijjaroenroj, A.; Bessière, J.-M.; Anstett, M.-C., Chemistry of floral scents in four Licuala species (Arecaceae), Flavour Fragr. J., 2007, 22, 4, 300-310, https://doi.org/10.1002/ffj.1797 . [all data]

Merle, Verdeguer, et al., 2007
Merle, H.; Verdeguer, M.; Blázquez, M.A.; Boira, H., Chemical composition of the essential oils from Eriocephalus africanus L. var. africanus populations growing in Spain, Flavour Fragr. J., 2007, 22, 6, 461-464, https://doi.org/10.1002/ffj.1821 . [all data]

Nivinsliene, Butkiene, et al., 2007
Nivinsliene, O.; Butkiene, R.; Gudalevic, A.; Mockute, D.; Meskauskiene, V.; Grigaliunaite, B., Influence of urban environment on chemical composition of Tilia cordata essential oil, Chemija, 2007, 18, 1, 44-49. [all data]

Setzer, Stokes, et al., 2007
Setzer, W.N.; Stokes, S.L.; Penton, A.F.; Takaku, S.; Haber, W.A.; Hansell, E.; Caffrey, C.R.; McKerrow, J.H., Cruzain inhibitory activity of leaf essential oils of neotropical Lauraceae and essential oil components, Natural Product Communications, 2007, 2, 12, 1203-1210. [all data]

Splivallo, Bossi, et al., 2007
Splivallo, R.; Bossi, S.; Maffei, M.; Bonfante, P., Discrimination of truffle fruiting body versus mycelial aromas by stir bar sorptive extraction, Phytochemistry, 2007, 68, 20, 2584-2598, https://doi.org/10.1016/j.phytochem.2007.03.030 . [all data]

Takaku, Haber, et al., 2007
Takaku, S.; Haber, W.A.; Setzer, W.N., Leaf essential oil composition of 10 species of Ocotea (Lauraceae) from Monteverde, Costa Rica, Biochem. Syst. Ecol., 2007, 35, 8, 525-532, https://doi.org/10.1016/j.bse.2007.02.003 . [all data]

Baroni, Nores, et al., 2006
Baroni, M.V.; Nores, M.L.; Diaz, M.D.P.; Chiabrando, G.A.; Fassano, J.P.; Costa, C.; Wunderlin, D.A., Determination of Volatile Organic Compound Patterns Characteristic of Five Unifloral Honey by Solid-Phase Microextraction-Gas Chromatography-Mass Spectrometry Coupled to Chemometrics, J. Agric. Food Chem., 2006, 54, 19, 7235-7241, https://doi.org/10.1021/jf061080e . [all data]

Beaulieu J.C. and Lea J.M., 2006
Beaulieu J.C.; Lea J.M., Characterization and semiquantitative analysis of volatiles in seedless watermelon varieties using solid-phase microextraction, J. Agric. Food Chem., 2006, 54, 20, 7789-7793, https://doi.org/10.1021/jf060663l . [all data]

Ceva-Antunes, Bizzo, et al., 2006
Ceva-Antunes, P.M.N.; Bizzo, H.R.; Silva, A.S.; Carvalho, C.P.S.; Antunes, O.A.C., Analysis of volatile composition of siriguela (Spondias purpurea L.) by solid phase microextraction (SPME), LWT, 2006, 39, 4, 437-443, https://doi.org/10.1016/j.lwt.2005.02.007 . [all data]

Ebrahimi and Hadjmohammadi, 2006
Ebrahimi, P.; Hadjmohammadi, M.R., Simultaneous modeling of the Kovats retention indices on phenyl OV stationary phases with different polarity using MLR and ANN, QSAR Comb. Sci., 2006, 25, 10, 836-845, https://doi.org/10.1002/qsar.200530145 . [all data]

Helsper, Bücking, et al., 2006
Helsper, J.P.F.G.; Bücking, M.; Muresan, S.; Blaas, J.; Wietsma, W.A., Identification of the volatile component(s) causing the characteristic foxy odor in various cultivars of Fritillaria imperialis L. (Liliaceae), J. Agric. Food Chem., 2006, 54, 14, 5087-5091, https://doi.org/10.1021/jf0605594 . [all data]

Schmidt, Noletto, et al., 2006
Schmidt, J.M.; Noletto, J.A.; Vogler, B.; Setzer, W.N., Abaco Bush Medicine: Chemical composition of the essential oils of four aromatic medicinal plants from Abaco Island, Bahamas, J. Herbs, Spices Medicinal Plants, 2006, 12, 3, 43-65, https://doi.org/10.1300/J044v12n03_04 . [all data]

Tognolini, Barocelli, et al., 2006
Tognolini, M.; Barocelli, E.; Ballabeni, V.; Bruni, R.; Bianchi, A.; Chiavarini, M.; Impicciatore, M., Comparative screening of plant essential oils: Phenylpropanoid moiety as basic core for antiplatelet activity, Life Sciences, 2006, 78, 13, 1419-1432, https://doi.org/10.1016/j.lfs.2005.07.020 . [all data]

Ádámová, Orinák, et al., 2005
Ádámová, M.; Orinák, A.; Halás, L., Retention indices as identification tool in pyrolysis-capillary gas chromatography, J. Chromatogr. A, 2005, 1087, 1-2, 131-141, https://doi.org/10.1016/j.chroma.2005.01.003 . [all data]

Alissandrakis, Kibaris, et al., 2005
Alissandrakis, E.; Kibaris, A.C.; Tarantilis, P.A.; Harizanis, P.C.; Polissiou, M., Flavour compounds of Greek cotton honey, J. Sci. Food Agric., 2005, 85, 9, 1444-1452, https://doi.org/10.1002/jsfa.2124 . [all data]

Bagci and Baser, 2005
Bagci, E.; Baser, K.H.C., Study of the essential oils of Thymus haussknechtii Velen and Thymus kotschyanus Boiss. et Hohen var. kotschyanus (Lamiaceae) taxa from the eastern Anatolian region in Turkey, Flavour Fragr. J., 2005, 20, 2, 199-202, https://doi.org/10.1002/ffj.1397 . [all data]

Blunden, Aneja, et al., 2005
Blunden, J.; Aneja, V.P.; Lonneman, W.A., Characterization of non-methane volatile organic compounds at swine facilities in eastern North Carolina, Atm. Environ., 2005, 39, 36, 6707-6718, https://doi.org/10.1016/j.atmosenv.2005.03.053 . [all data]

Cramer, Mattinson, et al., 2005
Cramer, A.-C.J.; Mattinson, D.S.; Fellman, J.K.; Baik, B.-K., Analysis of volatile compounds from various types of barley cultivars, J. Agric. Food Chem., 2005, 53, 19, 7526-7531, https://doi.org/10.1021/jf0506939 . [all data]

Iraqi, Vermeulen, et al., 2005
Iraqi, R.; Vermeulen, C.; Benzekri, A.; Bouseta, A.; Collin, S., Screening for key odorants in Moroccan green olives by gas chromatography-olfactometry/aroma extract dilution analysis, J. Agric. Food Chem., 2005, 53, 4, 1179-1184, https://doi.org/10.1021/jf040349w . [all data]

Pino, Marbot, et al., 2005
Pino, J.A.; Marbot, R.; Rosado, A.; Vázquez, C., Volatile constituents of Malay rose apple [Syzygium malaccense (L.) Merr. Perry], Flavour Fragr. J., 2005, 20, 98-100. [all data]

Riu-Aumatell, Lopez-Tamames, et al., 2005
Riu-Aumatell, M.; Lopez-Tamames, E.; Buxaderas, S., Assessment of the Volatile Composition of Juices of Apricot, Peach, and Pear According to Two Pectolytic Treatments, J. Agric. Food Chem., 2005, 53, 20, 7837-7843, https://doi.org/10.1021/jf051397z . [all data]

Turchini, Giani, et al., 2005
Turchini, G.M.; Giani, I.; Caprino, F.; Moretti, V.M.M.; Valfre, F., Discrimination of origin og farmed trout by means of biometrical parameters, fillet composition and flavor volatile compounds, Ital. J. Animal Sci., 2005, 3, 123-140. [all data]

Counet, Ouwerx, et al., 2004
Counet, C.; Ouwerx, C.; Rosoux, D.; Collin, S., Relationship between procyanidin and flavor contents of cocoa liquors from different origins, J. Agric. Food Chem., 2004, 52, 20, 6243-6249, https://doi.org/10.1021/jf040105b . [all data]

Crook, Boylston, et al., 2004
Crook, L.R.; Boylston, T.D.; Glatz, B.A., Effect of gas environment and sorbate addition on flavor characteristics of irradiated apple cider during storage, J. Agric. Food Chem., 2004, 52, 23, 6997-7004, https://doi.org/10.1021/jf049454w . [all data]

Garcia-Estaban, Ansorena, et al., 2004
Garcia-Estaban, M.; Ansorena, D.; Astiasaran, I.; Martin, D.; Ruiz, J., Comparison of simultaneous distillation extraction (SDE) and solid-phase microextraction (SPME) for the analysis of volatile compounds in dry-cured ham, J. Sci. Food Agric., 2004, 84, 11, 1364-1370, https://doi.org/10.1002/jsfa.1826 . [all data]

Garcia-Estaban, Ansorena, et al., 2004, 2
Garcia-Estaban, M.; Ansorena, D.; Astiasarán, I.; Ruiz, J., Study of the effect of different fiber coatings and extraction conditions on dry cured ham volatile compounds extracted by solid-phase microextraction (SPME), Talanta, 2004, 64, 2, 458-466, https://doi.org/10.1016/j.talanta.2004.03.007 . [all data]

Turchimi, Mentasti, et al., 2004
Turchimi, G.N.; Mentasti, T.; Carpino, F.; Panseri, S.; Moretti, V.M.; Valfre, F., Effects of dietary lipid sources on flavour volatile compounds of brown trout (Salmo trurra L.) fillet, J. Appl. Ichtyol., 2004, 20, 1, 71-75, https://doi.org/10.1046/j.0175-8659.2003.00522.x . [all data]

Vinogradov, 2004
Vinogradov, B.A., Production, composition, properties and application of essential oils, 2004, retrieved from http://viness.narod.ru. [all data]

Alves and Franco, 2003
Alves, G.L.; Franco, M.R.B., Headspace gas chromatography-mass spectrometry of volatile compounds in murici (Byrsonima crassifolia L. Rich), J. Chromatogr. A, 2003, 985, 1-2, 297-301, https://doi.org/10.1016/S0021-9673(02)01398-5 . [all data]

Begnaud, Pérès, et al., 2003
Begnaud, F.; Pérès, C.; Berdagué, J.-L., Characterization of volatile effluents of livestock buildings by solid-phase microextraction, Int. J. Environ. Anal. Chem., 2003, 83, 10, 837-849, https://doi.org/10.1080/03067310310001603349 . [all data]

Chung, Heymann, et al., 2003
Chung, S.-J.; Heymann, H.; Grün, I.U., Application of GPA and PLSR in correlating sensory and chemical data sets, Food Qual. Pref., 2003, 14, 5-6, 485-495, https://doi.org/10.1016/S0950-3293(03)00010-7 . [all data]

Jordán, Margaría, et al., 2003
Jordán, M.J.; Margaría, C.A.; Shaw, P.E.; Goodner, K.L., Volatile components and aroma active compounds in aqueous essence and fresh pink guava fruid puree (Psidium guajava L.) by GC-MS and multidimensional GC/GC-O, J. Agric. Food Chem., 2003, 51, 5, 1421-1426, https://doi.org/10.1021/jf020765l . [all data]

Bastos, Franco, et al., 2002
Bastos, D.H.M.; Franco, M.R.B.; da Silva, M.A.A.P.; Janzantti, N.S.; Marques, M.O.M., Volatile composition and aroma and flavor profiles of eucalyptus and orange honeys, Cienc. Tecnol. Aliment., 2002, 22, 2, 122-129, https://doi.org/10.1590/S0101-20612002000200004 . [all data]

Bruce, Cork, et al., 2002
Bruce, T.J.; Cork, A.; Hall, D.R.; Dunkelblum, E., Laboratory and field evaluation of floral odours from African marigold, Tagetes erecta, and sweet pea, Lathyrus odoratus, as kairomones for the cotton bollworm Helicoverpa armigera, IOBC wprs Bull., 2002, 25, 1-9. [all data]

Counet, Callemien, et al., 2002
Counet, C.; Callemien, D.; Ouwerx, C.; Collin, S., Use of gas chromatography-olfactometry to identify key odorant compounds in dark chocolate. Comparison of samples before and after conching, J. Agric. Food Chem., 2002, 50, 8, 2385-2391, https://doi.org/10.1021/jf0114177 . [all data]

Fu, Yoon, et al., 2002
Fu, S.-G.; Yoon, Y.; Basemore, R., Aroma-actie components in fermented bamboo shoots, J. Agric. Food Chem., 2002, 50, 3, 549-554, https://doi.org/10.1021/jf010883t . [all data]

Guyot-Declerck, Renson, et al., 2002
Guyot-Declerck, C.; Renson, S.; Bouseta, A.; Collin, S., Floral quality and discrimination of Lavandula stoechas, Lavandula angustifolia, and Lavandula angustifolia × latifolia honeys, Food Chem., 2002, 79, 4, 453-459, https://doi.org/10.1016/S0308-8146(02)00216-9 . [all data]

Jordán, Goodner, et al., 2002
Jordán, M.J.; Goodner, K.L.; Shaw, P.E., Characterization of the aromatic profile in aqueous essence and fruit juice of yellow passion fruit (Passiflora edulis Sims F. Flavicarpa degner) by GC-MS and GC/O, J. Agric. Food Chem., 2002, 50, 6, 1523-1528, https://doi.org/10.1021/jf011077p . [all data]

Poligne, Collignan, et al., 2002
Poligne, I.; Collignan, A.; Trystram, G., Effects of salting, drying, cooking, and smoking operations on volatile compound formation and collor patterns in pork, Food Eng. Physical Properties, 2002, 67, 8, 2976-2986. [all data]

Rapior, Breheret, et al., 2002
Rapior, S.; Breheret, S.; Talou T.; Pelissier, Y.; Bessiere, J.-M., The anise-like odor of Clitocybe odora, Lentinellus cochleatus and Agaricus essettei, Mycologia, 2002, 94, 3, 373-376, https://doi.org/10.2307/3761770 . [all data]

Staples E.S., 2002
Staples E.S., The Chemistry of Black Tea Aroma, EST Internal Report, April, Electronic Sensor Technology, Newbury PAck, CA 91320, 2002, 16, retrieved from http://www.estcal.com/TechPapers/Tea_Samples2.pdf. [all data]

Ansorena, Gimeno, et al., 2001
Ansorena, D.; Gimeno, O.; Astiasarán, I.; Bello, J., Analysis of volatile compounds by GC-MS of a dry fermented sausage: chorizo de Pamplona, Food Res. Int., 2001, 34, 1, 67-75, https://doi.org/10.1016/S0963-9969(00)00133-2 . [all data]

Cooke, Hassoun, et al., 2001
Cooke, K.M.; Hassoun, S.; Sanders, S.M.; Pilling, M.J., Identification and quantification of volatile organic compounds found in a eucalyptus forest during FIELDVOC'94 in Portugal, Chemosphere Global Change Science, 2001, 3, 3, 249-257, https://doi.org/10.1016/S1465-9972(01)00008-3 . [all data]

Duckham, Dodson, et al., 2001
Duckham, S.C.; Dodson, A.T.; Bakker, J.; Ames, J.M., Volatile flavour components of baked potato flesh. A comparison of eleven potato cultivars, Nahrung/Food, 2001, 45, 5, 317-323, https://doi.org/10.1002/1521-3803(20011001)45:5<317::AID-FOOD317>3.0.CO;2-4 . [all data]

Luo and Agnew, 2001
Luo, J.; Agnew, M.P., Gas characteristics before and after biofiltration treating odorous emissions from animal rendering processes, Environ. Technol., 2001, 22, 9, 1091-1103, https://doi.org/10.1080/09593332208618220 . [all data]

Sides, Robards, et al., 2001
Sides, A.; Robards, K.; Helliwell, S.; An, M., Changes in the volatile profile of oats induced by processing, J. Agric. Food Chem., 2001, 49, 5, 2125-2130, https://doi.org/10.1021/jf0010127 . [all data]

Teai, Claude-Lafontaine, et al., 2001
Teai, T.; Claude-Lafontaine, A.; Schippa, C.; Cozzolino, F., Volatile compounds in fresh pulp of pineapple (Ananas comosus [L.] Merr.) from French Polynesia, J. Essent. Oil Res., 2001, 13, 5, 314-318, https://doi.org/10.1080/10412905.2001.9712222 . [all data]

Yang, 2001
Yang, R., Analysis of the volatile components in peel oil of Yuzu by gas chromatography/mass spectrometry, Chin. J. Anal. Chem., 2001, 29, 3, 313-316. [all data]

Ansorena, Astiasarán, et al., 2000
Ansorena, D.; Astiasarán, I.; Bello, J., Influence of the simultaneous addition of the protease flavourzyme and the lipase novozyme 677BG on dry fermented sausage compounds extracted by SDE and analyzed by GC-MS, J. Agric. Food Chem., 2000, 48, 6, 2395-2400, https://doi.org/10.1021/jf990931y . [all data]

Madruga, Arruda, et al., 2000
Madruga, M.S.; Arruda, S.G.B.; Narain, N.; Souza, J.G., Castration and slaughter age effects on panel assessment and aroma compounds of the mestico goat meat, Meat Sci., 2000, 56, 2, 117-125, https://doi.org/10.1016/S0309-1740(00)00025-5 . [all data]

Guyot, Scheirman, et al., 1999
Guyot, C.; Scheirman, V.; Collin, S., Floral origin markers of heather honeys: Calluna vulgaris and Erica arborea, Food Chem., 1999, 64, 1, 3-11, https://doi.org/10.1016/S0308-8146(98)00122-8 . [all data]

Ding, Deng, et al., 1998
Ding, Q.; Deng, Y.; Sun, Y.; Huagn, A.; Sun, Y., Analysis of volatile components in ox feces by capillary gas chromatography, Beijing Daxue Xuebao Ziran Kexueban, 1998, 34, 6, 720-725. [all data]

Guyot, Bouseta, et al., 1998
Guyot, C.; Bouseta, A.; Scheirman, V.; Collin, S., Floral origin markers of chestnut and lime tree honeys, J. Agric. Food Chem., 1998, 46, 2, 625-633, https://doi.org/10.1021/jf970510l . [all data]

Matsui, Guth, et al., 1998
Matsui, T.; Guth, H.; Grosch, W., A comparative study of potent odorants in peanut, hazelnut, and pumpkin seed oils on the basis of aroma extract dilution analysis (AEDA) and gas chromatography-olfactometry of headspace samples (GCOH), Lipid - Fett, 1998, 100, 2, 51-56, https://doi.org/10.1002/(SICI)1521-4133(199802)100:2<51::AID-LIPI51>3.0.CO;2-W . [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]

Timón, Ventanas, et al., 1998
Timón, M.L.; Ventanas, J.; Martín, L.; Tejeda, J.F.; García, C., Volatile compounds in supercritical carbon dioxide extracts of Iberian ham, J. Agric. Food Chem., 1998, 46, 12, 5143-5150, https://doi.org/10.1021/jf980652v . [all data]

Flanagan, Streete, et al., 1997
Flanagan, R.J.; Streete, P.J.; Ramsey, J.D., Volatile Substance Abuse, UNODC Technical Series, No 5, United Nations, Office on Drugs and Crime, Vienna International Centre, PO Box 500, A-1400 Vienna, Austria, 1997, 56, retrieved from http://www.odccp.org/pdf/technical_series₁997-01-01₁.pdf. [all data]

Mateo, Aguirrezábal, et al., 1997
Mateo, J.; Aguirrezábal, M.; Domínguez, C.; Zumalacárregui, J.M., Volatile compounds in Spanish paprika, J. Food Comp. Anal., 1997, 10, 3, 225-232, https://doi.org/10.1006/jfca.1997.0535 . [all data]

Mateo and Zumalacárregui, 1996
Mateo, J.; Zumalacárregui, J.M., Volatile compounds in chorizo and their changes during ripening, Meat Sci., 1996, 44, 4, 255-273, https://doi.org/10.1016/S0309-1740(96)00028-9 . [all data]

Buchbauer, Nikiforov, et al., 1994
Buchbauer, G.; Nikiforov, A.; Remberg, B., Headspace constituents of opium, Planta Medica, 1994, 60, 2, 181-183, https://doi.org/10.1055/s-2006-959447 . [all data]

Ciccioli, Cecinato, et al., 1994
Ciccioli, P.; Cecinato, A.; Brancaleoni, E.; Brachetti, A.; Frattoni, M.; Sparapani, R., Composition and Distribution of Polar and Non-Polar VOCs in Urban, Rural, Forest and Remote Areas, Eur Commission EUR, 1994, 549-568. [all data]

Garneau, Bouhajib, et al., 1994
Garneau, F.X.; Bouhajib, M.; Collin, G.J.; Gagnon, M.; ApSimon, J.W., The glycosidically bound volatile compounds of Picea mariana (Mill.) B.S.P., J. Essent. Oil Res., 1994, 6, 1, 43-46, https://doi.org/10.1080/10412905.1994.9698323 . [all data]

Ciccioli, Brancaleoni, et al., 1993
Ciccioli, P.; Brancaleoni, E.; Cecinato, A.; Sparapani, R.; Frattoni, M., Identification and determination of biogenic and anthropogenic volatile organic compounds in forest areas of Northern and Southern Europe and a remote site of the Himalaya region by high-resolution gas chromatography-mass spectrometry, J. Chromatogr., 1993, 643, 1-2, 55-69, https://doi.org/10.1016/0021-9673(93)80541-F . [all data]

Strete, Ruprah, et al., 1992
Strete, P.J.; Ruprah, M.; Ramsey, J.D.; Flanagan, R.J., Detection and identification of volatile substances by headspace capillary gas chromatography to aid the diagnosis of acute poisoning, Analyst, 1992, 117, 7, 1111-1127, https://doi.org/10.1039/an9921701111 . [all data]

Um, Bailey, et al., 1992
Um, K.W.; Bailey, M.E.; Clarke, A.D.; Chao, R.R., Concentration and identification of volatile compounds from heated beef fat using supercritical CO₂ extraction-gas liquid chromatography/mass spectrometry, J. Agric. Food Chem., 1992, 40, 9, 1641-1646, https://doi.org/10.1021/jf00021a033 . [all data]

Binder, Flath, et al., 1989
Binder, R.G.; Flath, R.A.; Mon, T.R., Volatile components of bittermelon, J. Agric. Food Chem., 1989, 37, 2, 418-420, https://doi.org/10.1021/jf00086a032 . [all data]

Takeoka, Flath, et al., 1988
Takeoka, G.R.; Flath, R.A.; Güntert, M.; Jennings, W., Nectarine volatiles: vacuum steam distillation versus headspace sampling, J. Agric. Food Chem., 1988, 36, 3, 553-560, https://doi.org/10.1021/jf00081a037 . [all data]

Shibamoto, 1987
Shibamoto, T., Retention Indices in Essential Oil Analysis in Capillary Gas Chromatography in Essential Oil Analysis, Sandra, P.; Bicchi, C., ed(s)., Hutchig Verlag, Heidelberg, New York, 1987, 259-274. [all data]

Waggott and Davies, 1984
Waggott, A.; Davies, I.W., Identification of organic pollutants using linear temperature programmed retention indices (LTPRIs) - Part II, 1984, retrieved from http://dwi.defra.gov.uk/research/completed-research/reports/dwi0383.pdf. [all data]

Ramsey and Flanagan, 1982
Ramsey, J.D.; Flanagan, R.J., Detection and Identification of Volatile Organic Compounds in Blood by Headspace Gas Chromatography as an Aid to the Diagnosis of Solvent Abuse, J. Chromatogr., 1982, 240, 2, 423-444, https://doi.org/10.1016/S0021-9673(00)99622-5 . [all data]

Notes

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

Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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