2-Hexanone

Formula: C₆H₁₂O
Molecular weight: 100.1589
IUPAC Standard InChI: InChI=1S/C6H12O/c1-3-4-5-6(2)7/h3-5H2,1-2H3
IUPAC Standard InChIKey: QQZOPKMRPOGIEB-UHFFFAOYSA-N
CAS Registry Number: 591-78-6
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.
Isotopologues:
- 2-Hexanone, 1,1,1,3,3-d5-
Other names: n-Butyl methyl ketone; Butyl methyl ketone; Hexan-2-one; Methyl butyl ketone; Methyl n-butyl ketone; 2-Oxohexane; n-C4H9COCH3; Hexanone-2; Ketone, butyl methyl; MBK; MNBK; Propylacetone
Permanent link for this species. Use this link for bookmarking this species for future reference.
Information on this page:
Other data available:
Data at other public NIST sites:
- Gas Phase Kinetics Database
Options:
- Switch to SI units

Data at NIST subscription sites:

NIST / TRC Web Thermo Tables, professional edition (thermophysical and thermochemical data)

NIST subscription sites provide data under the NIST Standard Reference Data Program, but require an annual fee to access. The purpose of the fee is to recover costs associated with the development of data collections included in such sites. Your institution may already be a subscriber. Follow the links above to find out more about the data in these sites and their terms of usage.

Gas phase ion energetics data

Go To: Top, Gas Chromatography, References, Notes

Data evaluated as indicated in comments:
L - Sharon G. Lias

Data compiled as indicated in comments:
B - John E. Bartmess
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron
LBLHLM - Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard

Quantity	Value	Units	Method	Reference	Comment
IE (evaluated)	9.35 ± 0.06	eV	N/A	N/A	L

Ionization energy determinations

IE (eV)	Method	Reference	Comment
9.24 ± 0.02	PE	Ashmore and Burgess, 1978	LLK
9.331 ± 0.005	PE	Hernandez, Masclet, et al., 1977	LLK
9.2	EI	McLafferty, Bente, et al., 1973	LLK
9.36 ± 0.02	PE	Cocksey, Eland, et al., 1971	LLK
9.37 ± 0.02	PI	Murad and Inghram, 1964	RDSH
9.34 ± 0.03	PI	Watanabe, Nakayama, et al., 1962	RDSH
9.44 ± 0.03	PI	Vilesov, 1960	RDSH
9.38	PE	Benoit and Harrison, 1977	Vertical value; LLK

Appearance energy determinations

Ion	AE (eV)	Other Products	Method	Reference	Comment
C₂H₃O⁺	11.65	?	EI	Potzinger and Bunau, 1969	RDSH
C₂H₃O⁺	10.8	?	PI	Murad and Inghram, 1964	RDSH
C₃H₆O⁺	10.1 ± 0.1	C₃H₆	EI	Burgers and Holmes, 1982	LBLHLM
C₃H₆O⁺	10.04	C₃H₆	EI	Holmes and Lossing, 1980	LLK
C₃H₆O⁺	10.00	C₃H₆	PI	Murad and Inghram, 1964	RDSH
C₄H₇O⁺	10.03	C₂H₅	PI	Murad and Inghram, 1964	RDSH
C₄H₉⁺	11.92	?	EI	Potzinger and Bunau, 1969	RDSH
C₅H₉O⁺	9.4	CH₃	EI	McLafferty, Bente, et al., 1973	LLK
C₅H₉O⁺	9.66	CH₃	PI	Murad and Inghram, 1964	RDSH

De-protonation reactions

C₆H₁₁O^- + = 2-Hexanone

By formula: C₆H₁₁O^- + H⁺ = C₆H₁₂O

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	365.8 ± 2.1	kcal/mol	TDEq	Burkell, Fridgen, et al., 2003	gas phase; B
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	358.7 ± 2.0	kcal/mol	TDEq	Burkell, Fridgen, et al., 2003	gas phase; B

Gas Chromatography

Go To: Top, Gas phase ion energetics data, References, Notes

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

Kovats' RI, non-polar column, isothermal

View large format table.

Column type	Active phase	Temperature (C)	I	Reference	Comment
Capillary	OV-1	333.	767.9	Hu, Lu, et al., 2006
Capillary	DB-1	313.	767.07	Ciaznska-Halarewicz and Kowalska, 2003	30. m/0.32 mm/1. μm
Capillary	DB-1	323.	766.66	Ciaznska-Halarewicz and Kowalska, 2003	30. m/0.32 mm/1. μm
Capillary	DB-1	333.	765.86	Ciaznska-Halarewicz and Kowalska, 2003	30. m/0.32 mm/1. μm
Capillary	DB-1	343.	766.82	Ciaznska-Halarewicz and Kowalska, 2003	30. m/0.32 mm/1. μm
Capillary	DB-1	353.	767.68	Ciaznska-Halarewicz and Kowalska, 2003	30. m/0.32 mm/1. μm
Capillary	DB-1	363.	768.37	Ciaznska-Halarewicz and Kowalska, 2003	30. m/0.32 mm/1. μm
Capillary	DB-1	373.	768.70	Ciaznska-Halarewicz and Kowalska, 2003	30. m/0.32 mm/1. μm
Capillary	DB-1	383.	769.32	Ciaznska-Halarewicz and Kowalska, 2003	30. m/0.32 mm/1. μm
Capillary	DB-1	393.	769.68	Ciaznska-Halarewicz and Kowalska, 2003	30. m/0.32 mm/1. μm
Capillary	DB-1	403.	771.05	Ciaznska-Halarewicz and Kowalska, 2003	30. m/0.32 mm/1. μm
Capillary	DB-1	413.	772.24	Ciaznska-Halarewicz and Kowalska, 2003	30. m/0.32 mm/1. μm
Capillary	DB-1	423.	774.21	Ciaznska-Halarewicz and Kowalska, 2003	30. m/0.32 mm/1. μm
Capillary	DB-5	313.	788.05	Ciaznska-Halarewicz and Kowalska, 2003	30. m/0.32 mm/1. μm
Capillary	DB-5	323.	787.01	Ciaznska-Halarewicz and Kowalska, 2003	30. m/0.32 mm/1. μm
Capillary	DB-5	333.	787.84	Ciaznska-Halarewicz and Kowalska, 2003	30. m/0.32 mm/1. μm
Capillary	DB-5	343.	789.11	Ciaznska-Halarewicz and Kowalska, 2003	30. m/0.32 mm/1. μm
Capillary	DB-5	353.	789.29	Ciaznska-Halarewicz and Kowalska, 2003	30. m/0.32 mm/1. μm
Capillary	DB-5	363.	789.92	Ciaznska-Halarewicz and Kowalska, 2003	30. m/0.32 mm/1. μm
Capillary	DB-5	373.	790.50	Ciaznska-Halarewicz and Kowalska, 2003	30. m/0.32 mm/1. μm
Capillary	DB-5	383.	791.67	Ciaznska-Halarewicz and Kowalska, 2003	30. m/0.32 mm/1. μm
Capillary	DB-5	393.	792.39	Ciaznska-Halarewicz and Kowalska, 2003	30. m/0.32 mm/1. μm
Capillary	DB-5	403.	793.70	Ciaznska-Halarewicz and Kowalska, 2003	30. m/0.32 mm/1. μm
Capillary	DB-5	413.	795.42	Ciaznska-Halarewicz and Kowalska, 2003	30. m/0.32 mm/1. μm
Capillary	DB-5	423.	797.53	Ciaznska-Halarewicz and Kowalska, 2003	30. m/0.32 mm/1. μm
Capillary	DB-1	50.	769.69	Ciazynska-Halarewicz, Borucka, et al., 2002	30. m/0.32 mm/1. μm, He
Capillary	DB-1	75.	770.63	Ciazynska-Halarewicz, Borucka, et al., 2002	30. m/0.32 mm/1. μm, He
Capillary	DB-1	100.	770.60	Ciazynska-Halarewicz, Borucka, et al., 2002	30. m/0.32 mm/1. μm, He
Capillary	DB-1	125.	767.41	Ciazynska-Halarewicz, Borucka, et al., 2002	30. m/0.32 mm/1. μm, He
Capillary	DB-1	150.	765.83	Ciazynska-Halarewicz, Borucka, et al., 2002	30. m/0.32 mm/1. μm, He
Capillary	DB-5	50.	790.62	Ciazynska-Halarewicz, Borucka, et al., 2002	30. m/0.32 mm/1. μm, He
Capillary	DB-5	75.	791.12	Ciazynska-Halarewicz, Borucka, et al., 2002	30. m/0.32 mm/1. μm, He
Capillary	DB-5	100.	791.21	Ciazynska-Halarewicz, Borucka, et al., 2002	30. m/0.32 mm/1. μm, He
Capillary	DB-5	125.	790.92	Ciazynska-Halarewicz, Borucka, et al., 2002	30. m/0.32 mm/1. μm, He
Capillary	DB-5	150.	792.67	Ciazynska-Halarewicz, Borucka, et al., 2002	30. m/0.32 mm/1. μm, He
Capillary	HP-1	110.	769.0	Héberger, Görgényi, et al., 2002	50. m/0.32 mm/1.05 μm
Capillary	HP-1	30.	766.9	Héberger, Görgényi, et al., 2002	50. m/0.32 mm/1.05 μm
Capillary	HP-1	40.	766.8	Héberger, Görgényi, et al., 2002	50. m/0.32 mm/1.05 μm
Capillary	HP-1	50.	766.97	Héberger, Görgényi, et al., 2002	50. m/0.32 mm/1.05 μm
Capillary	HP-1	60.	767.1	Héberger, Görgényi, et al., 2002	50. m/0.32 mm/1.05 μm
Capillary	HP-1	70.	767.3	Héberger, Görgényi, et al., 2002	50. m/0.32 mm/1.05 μm
Capillary	HP-1	90.	768.04	Héberger, Görgényi, et al., 2002	50. m/0.32 mm/1.05 μm
Capillary	HP-101	60.	767.70	Garay, 2000	50. m/0.2 mm/0.2 μm, H2
Capillary	HP-1	110.	769.	Héberger and Görgényi, 1999	50. m/0.32 mm/1.05 μm, N2
Capillary	HP-1	50.	767.	Héberger and Görgényi, 1999	50. m/0.32 mm/1.05 μm, N2
Capillary	HP-1	70.	767.	Héberger and Görgényi, 1999	50. m/0.32 mm/1.05 μm, N2
Capillary	HP-1	90.	768.	Héberger and Görgényi, 1999	50. m/0.32 mm/1.05 μm, N2
Capillary	SE-30	100.	775.	Golovnya, Syomina, et al., 1997	25. m/0.32 mm/1. μm, He
Capillary	SE-30	110.	777.	Golovnya, Syomina, et al., 1997	25. m/0.32 mm/1. μm, He
Capillary	SE-30	80.	774.	Golovnya, Syomina, et al., 1997	25. m/0.32 mm/1. μm, He
Capillary	SE-30	90.	774.	Golovnya, Syomina, et al., 1997	25. m/0.32 mm/1. μm, He
Capillary	OV-101	150.	766.6	Cha and Lee, 1994	Column length: 20. m; Column diameter: 0.5 mm
Capillary	OV-101	180.	772.0	Cha and Lee, 1994	Column length: 20. m; Column diameter: 0.5 mm
Packed	C78, Branched paraffin	130.	731.4	Reddy, Dutoit, et al., 1992	Chromosorb G HP; Column length: 3.3 m
Capillary	SE-54	110.	791.3	Grigor'eva, Vasil'ev, et al., 1989	15. m/0.28 mm/2.5 μm, Ar
Capillary	SE-54	130.	792.3	Grigor'eva, Vasil'ev, et al., 1989	15. m/0.28 mm/2.5 μm, Ar
Capillary	SE-54	150.	794.3	Grigor'eva, Vasil'ev, et al., 1989	15. m/0.28 mm/2.5 μm, Ar
Capillary	Apiezon L + KF	60.	770.	Svetlova, Samusenko, et al., 1986	30. m/0.25 mm/0.06 μm
Packed	Apiezon L	70.	742.	Jaworski, 1982	Column length: 1.8 m
Packed	SE-30	150.	773.	Haken, Nguyen, et al., 1979	Celatom AW silanized; Column length: 3.7 m
Packed	Apiezon L	120.	751.	Bogoslovsky, Anvaer, et al., 1978	Celite 545
Packed	Apiezon L	160.	759.	Bogoslovsky, Anvaer, et al., 1978	Celite 545
Packed	Apiezon L	130.	747.	Bogoslovsky, Anvaer, et al., 1978
Packed	Squalane	100.	763.	Evans and Newton, 1976	N2, Chromosorb G; Column length: 2. m
Packed	Squalane	100.	764.	Evans and Newton, 1976	N2, Chromosorb G; Column length: 2. m
Packed	Squalane	100.	764.	Evans and Newton, 1976	N2, Chromosorb G; Column length: 2. m
Packed	Apolane	190.	738.0	Riedo, Fritz, et al., 1976	He, Chromosorb; Column length: 2.4 m
Capillary	Squalane	60.	728.	Ryba, 1976	Column length: 50. m; Column diameter: 0.25 mm
Capillary	Squalane	60.	736.	Ryba, 1976	Column length: 50. m; Column diameter: 0.25 mm
Packed	SE-30	150.	778.	Haken, Ho, et al., 1975	Column length: 3.7 m
Capillary	Squalane	100.	745.6	Schomburg and Dielmann, 1973	Column length: 100. m; Column diameter: 0.25 mm
Packed	Squalane	50.	726.	Mira and Sanchez, 1970	Chromosorb G
Packed	Squalane	70.	727.	Mira and Sanchez, 1970	Chromosorb G
Packed	Apiezon L	100.	745.	Brown, Chapman, et al., 1968	N2, DCMS-treated Chromosorb W; Column length: 2.3 m
Packed	Apiezon L	150.	752.	Brown, Chapman, et al., 1968	N2, DCMS-treated Chromosorb W; Column length: 2.3 m
Packed	Apiezon L	130.	747.	Wehrli and Kováts, 1959	Celite; Column length: 2.25 m
Packed	Apiezon L	190.	752.	Wehrli and Kováts, 1959	Celite; Column length: 2.25 m

Kovats' RI, non-polar column, temperature ramp

View large format table.

Column type	Active phase	I	Reference	Comment
Capillary	CBP-1	772.	Shimadzu, 2003	25. m/0.2 mm/0.25 μm, He, 50. C @ 5. min, 4. K/min; T_end: 200. C
Capillary	DB-1	761.	Takeoka, Perrino, et al., 1996	60. m/0.25 mm/0.25 μm, 30. C @ 4. min, 2. K/min; T_end: 220. C
Capillary	DB-1	770.	Takeoka, Perrino, et al., 1996	60. m/0.25 mm/0.25 μm, 30. C @ 4. min, 2. K/min; T_end: 220. C
Capillary	DB-1	770.	Takeoka, Flath, et al., 1990	60. m/0.32 mm/0.25 μm, He, 30. C @ 4. min, 2. K/min; T_end: 210. C
Capillary	DB-1	771.	Takeoka, Flath, et al., 1990	60. m/0.32 mm/0.25 μm, He, 30. C @ 4. min, 2. K/min; T_end: 210. C
Capillary	SE-54	788.	Rembold, Wallner, et al., 1989	30. m/0.25 mm/0.25 μm, He, 0. C @ 12. min, 12. K/min; T_end: 250. C
Capillary	OV-101	768.	Ohnishi and Shibamoto, 1984	2. K/min; Column length: 50. m; Column diameter: 0.23 mm; T_start: 80. C; T_end: 200. C
Capillary	OV-101	775.	Ohnishi and Shibamoto, 1984	2. K/min; Column length: 50. m; Column diameter: 0.23 mm; T_start: 80. C; T_end: 200. C

Kovats' RI, polar column, isothermal

View large format table.

Column type	Active phase	Temperature (C)	I	Reference	Comment
Capillary	DB-Wax	100.	1098.02	Ciazynska-Halarewicz, Borucka, et al., 2002	30. m/0.32 mm/1. μm, He
Capillary	DB-Wax	125.	1116.32	Ciazynska-Halarewicz, Borucka, et al., 2002	30. m/0.32 mm/1. μm, He
Capillary	HP-Innowax	110.	1113.0	Héberger and Görgényi, 1999	30. m/0.32 mm/0.5 μm
Capillary	HP-Innowax	50.	1097.2	Héberger and Görgényi, 1999	30. m/0.32 mm/0.5 μm
Capillary	HP-Innowax	70.	1102.2	Héberger and Görgényi, 1999	30. m/0.32 mm/0.5 μm
Capillary	HP-Innowax	90.	1107.6	Héberger and Görgényi, 1999	30. m/0.32 mm/0.5 μm

Kovats' RI, polar column, temperature ramp

View large format table.

Column type	Active phase	I	Reference	Comment
Capillary	CBP-20	1082.	Shimadzu, 2003	25. m/0.2 mm/0.25 μm, He, 50. C @ 5. min, 4. K/min; T_end: 200. C

Kovats' RI, polar column, custom temperature program

View large format table.

Column type	Active phase	I	Reference	Comment
Capillary	PEG-20M	1079.	Slizhov and Gavrilenko, 2001	He; Column length: 10. m; Column diameter: 0.2 mm; Program: not specified

Van Den Dool and Kratz RI, non-polar column, temperature ramp

View large format table.

Column type	Active phase	I	Reference	Comment
Capillary	DB-5	790.	Wu, Zorn, et al., 2007	30. m/0.32 mm/0.25 μm, He, 40. C @ 2. min, 5. K/min, 250. C @ 5. min
Capillary	DB-5	788.	Wu, Zorn, et al., 2007	30. m/0.32 mm/0.25 μm, He, 40. C @ 2. min, 5. K/min, 250. C @ 5. min
Capillary	HP-5	802.	Solina, Baumgartner, et al., 2005	25. m/0.2 mm/1. μm, He, 5. K/min, 280. C @ 5. min; T_start: 40. C
Capillary	CP-Sil 8CB-MS	789.	Hierro, de la Hoz, et al., 2004	60. m/0.25 mm/0.25 μm, 40. C @ 2. min, 4. K/min, 280. C @ 5. min
Capillary	DB-1	760.6	Sun and Stremple, 2003	30. m/0.25 mm/0.25 μm, He, 3. K/min; T_start: 40. C; T_end: 325. C
Capillary	DB-5	787.5	Xu, van Stee, et al., 2003	30. m/0.25 mm/1. μm, He, 2.5 K/min; T_start: 50. C; T_end: 200. C
Capillary	BPX-5	802.	Bredie, Mottram, et al., 2002	50. m/0.32 mm/0.5 μm, 60. C @ 5. min, 4. K/min, 250. C @ 20. min
Capillary	DB-5	801.	Venskutonis, Vasiliauskaite, et al., 2002	30. m/0.32 mm/0.25 μm, He, 40. C @ 4. min, 5. K/min; T_end: 260. C
Capillary	SPB-1	771.	Larráyoz, Addis, et al., 2001	30. m/0.32 mm/4. μm, He, 45. C @ 13. min, 5. K/min, 240. C @ 5. min
Capillary	BP-5	792.	Whitfield and Mottram, 2001	4. K/min; Column length: 50. m; Column diameter: 0.32 mm; T_start: 60. C; T_end: 250. C
Capillary	DB-5	792.	Moio, Piombino, et al., 2000	30. m/0.32 mm/1. μm, H2, 3. K/min; T_start: 40. C; T_end: 210. C
Capillary	DB-5	793.	Moio, Piombino, et al., 2000	30. m/0.32 mm/1. μm, H2, 3. K/min; T_start: 40. C; T_end: 210. C
Capillary	DB-5	798.	Madruga and Mottram, 1998	30. m/0.32 mm/1. μm, 60. C @ 5. min, 4. K/min, 250. C @ 20. min
Capillary	DB-5	792.	Moio and Addeo, 1998	30. m/0.32 mm/1. μm, H2, 3. K/min; T_start: 40. C; T_end: 210. C
Capillary	DB-5	793.	Moio and Addeo, 1998	30. m/0.32 mm/1. μm, H2, 3. K/min; T_start: 40. C; T_end: 210. C
Capillary	DB-1	770.	Bartelt, 1997	30. m/0.32 mm/5. μm, He, 35. C @ 1. min, 10. K/min; T_end: 270. C
Capillary	SE-30	760.	Misharina and Golovnya, 1996	50. m/0.32 mm/0.25 μm, 4. K/min; T_start: 50. C; T_end: 250. C
Capillary	DB-5	792.	Moio L., Rillo L., et al., 1996	30. m/0.32 mm/1. μm, H2, 3. K/min; T_start: 40. C; T_end: 220. C
Capillary	DB-5	793.	Moio L., Rillo L., et al., 1996	30. m/0.32 mm/1. μm, H2, 3. K/min; T_start: 40. C; T_end: 220. C
Capillary	DB-5	789.	Gómez, Ledbetter, et al., 1993	He, 4. K/min; Column length: 30. m; Column diameter: 0.25 mm; T_start: 50. C; T_end: 250. C
Capillary	DB-1	763.	Zhang and Ho, 1989	60. m/0.25 mm/0.25 μm, He, 2. K/min, 220. C @ 10. min; T_start: 40. C
Capillary	DB-5	792.	Guichard and Souty, 1988	H2, 30. C @ 5. min, 1.5 K/min; Column length: 0.32 m; Column diameter: 1. mm; T_end: 180. C
Packed	Apiezon M	747.	Golovnya and Uraletz, 1971	N2, Celite 545, 6. K/min; Column length: 1.5 m; T_start: 75. C; T_end: 200. C
Packed	Apiezon M	753.	Golovnya and Uraletz, 1971	N2, Celite 545, 6. K/min; Column length: 1.5 m; T_start: 75. C; T_end: 200. C
Packed	Apiezon M	755.	Golovnya and Uraletz, 1971	N2, Celite 545, 6. K/min; Column length: 1.5 m; T_start: 75. C; T_end: 200. C

Van Den Dool and Kratz RI, non-polar column, custom temperature program

View large format table.

Column type	Active phase	I	Reference	Comment
Capillary	CP-Sil 8CB-MS	792.	Elmore, Mottram, et al., 2000	60. m/0.25 mm/0.25 μm, He; Program: 0C(5min) => 40C/min => 40C (2min) => 4C/min => 280C
Capillary	DB-5	803.	Parker, Hassell, et al., 2000	50. m/0.32 mm/0.5 μm, He; Program: oC(5min) => 60C/min => 60C (5min) => 4C/min => 250C
Capillary	DB-5	750.	Boulanger, Chassagne, et al., 1999	30. m/0.25 mm/0.25 μm, H2; Program: 40C(5min) => 2C/min => 220C => 5C/min => 250C(15min)
Capillary	DB-5	789.	Boulanger, Chassagne, et al., 1999	30. m/0.25 mm/0.25 μm, H2; Program: 40C(5min) => 2C/min => 220C => 5C/min => 250C(15min)
Capillary	BPX-5	807.	Elmore, Mottram, et al., 1999	50. m/0.32 mm/0.5 μm, He; Program: 0C(5min) => 40C/min => 40C(2min) => 4C/min => 280C

Van Den Dool and Kratz RI, polar column, temperature ramp

View large format table.

Column type	Active phase	I	Reference	Comment
Capillary	ZB-Wax	1074.	Wu, Zorn, et al., 2007	30. m/0.32 mm/0.25 μm, He, 40. C @ 2. min, 5. K/min, 250. C @ 5. min
Capillary	ZB-Wax	1077.	Wu, Zorn, et al., 2007	30. m/0.32 mm/0.25 μm, He, 40. C @ 2. min, 5. K/min, 250. C @ 5. min
Capillary	ZB-Wax	1060.	Ledauphin, Basset, et al., 2006	30. m/0.25 mm/0.15 μm, He, 35. C @ 5. min, 5. K/min, 220. C @ 10. min
Capillary	DB-Wax	1124.	Malliaa, Fernandez-Garcia, et al., 2005	60. m/0.32 mm/1. μm, He, 45. C @ 1. min, 5. K/min, 250. C @ 12. min
Capillary	Supelcowax-10	1083.	Chung, Yung, et al., 2002	60. m/0.25 mm/0.25 μm, He, 35. C @ 5. min, 2. K/min, 195. C @ 90. min
Capillary	Supelcowax-10	1083.	Chung, Yung, et al., 2001	60. m/0.25 mm/0.25 μm, He, 35. C @ 5. min, 2. K/min, 195. C @ 90. min
Capillary	Supelcowax-10	1083.	Chung, 1999	60. m/0.25 mm/0.25 μm, He, 35. C @ 5. min, 2. K/min, 195. C @ 90. min
Capillary	FFAP	1094.	Ott, Fay, et al., 1997	30. m/0.25 mm/0.25 μm, He, 20. C @ 1. min, 4. K/min, 200. C @ 1. min
Capillary	Supelcowax-10	1083.	Chung and Cadwallader, 1993	60. m/0.25 mm/0.25 μm, He, 40. C @ 5. min, 2. K/min, 195. C @ 40. min
Capillary	Supelcowax-10	1084.	Matiella and Hsieh, 1990	60. m/0.25 mm/0.25 μm, 40. C @ 5. min, 2. K/min, 175. C @ 20. min
Capillary	Supelcowax-10	1082.	Tanchotikul and Hsieh, 1989	60. m/0.25 mm/0.25 μm, 40. C @ 5. min, 2. K/min, 175. C @ 20. min
Capillary	Supelcowax-10	1089.	Tanchotikul and Hsieh, 1989	60. m/0.25 mm/0.25 μm, 40. C @ 5. min, 2. K/min, 175. C @ 20. min
Capillary	Supelcowax-10	1081.	Vejaphan, Hsieh, et al., 1988	60. m/0.25 mm/0.25 μm, 40. C @ 5. min, 2. K/min, 175. C @ 20. min
Capillary	Supelcowax-10	1089.	Vejaphan, Hsieh, et al., 1988	60. m/0.25 mm/0.25 μm, 40. C @ 5. min, 2. K/min, 175. C @ 20. min

Van Den Dool and Kratz RI, polar column, custom temperature program

View large format table.

Column type	Active phase	I	Reference	Comment
Capillary	Supelcowax-10	1082.	Bianchi, Careri, et al., 2007	30. m/0.25 mm/0.25 μm, He; Program: 35C(8min) => 4C/min => 60C => 6C/min => 160C => 20C/min => 200C(1min)
Capillary	Innowax	1092.	Larráyoz, Addis, et al., 2001	60. m/0.22 mm/0.25 μm, He; Program: 35C (1min) => 3C/min => 170C => 4C/min => 200C (20min)
Capillary	CP-Wax 52CB	1095.	Madruga and Mottram, 1998	50. m/0.32 mm/0.21 μm; Program: 0C(5min) => fast => 60C(5min) => 4C/min => 220C(20min)
Capillary	Supelcowax-10	1078.	Baek and Cadwallader, 1996	60. m/0.25 mm/0.25 μm; Program: 40C => (6C/min) => 80C(6min) => (15C/min) => 200C(10min)
Capillary	FFAP	1083.	Yasuhara, 1987	50. m/0.25 mm/0.25 μm, He; Program: 20C (5min) => 2C/min => 70C => 4C/min => 210C

Normal alkane RI, non-polar column, isothermal

View large format table.

Column type	Active phase	Temperature (C)	I	Reference	Comment
Capillary	Polydimethyl siloxane	105.	769.	Tello, Lebron-Aguilar, et al., 2009
Capillary	Polydimethyl siloxane	75.	768.	Tello, Lebron-Aguilar, et al., 2009
Capillary	Polydimethyl siloxane	90.	769.	Tello, Lebron-Aguilar, et al., 2009
Capillary	Methyl Silicone	100.	769.	Lebrón-Aguilar, Quintanilla-López, et al., 2007
Capillary	Methyl Silicone	120.	771.	Lebrón-Aguilar, Quintanilla-López, et al., 2007
Capillary	Methyl Silicone	140.	771.	Lebrón-Aguilar, Quintanilla-López, et al., 2007
Capillary	Methyl Silicone	80.	768.	Lebrón-Aguilar, Quintanilla-López, et al., 2007
Capillary	DB-1	60.	768.	Shimadzu, 2003, 2	60. m/0.32 mm/1. μm, He
Capillary	OV-1	60.	767.	Amboni, Junkes, et al., 2002
Packed	Apieson L	120.	758.	Kurdina, Markovich, et al., 1969	not specified, not specified

Normal alkane RI, non-polar column, temperature ramp

View large format table.

Column type	Active phase	I	Reference	Comment
Capillary	Optima-5 MS	786.	Goeminne, Vandendriessche, et al., 2012	30. m/0.25 mm/0.25 μm, Helium, 35. C @ 3. min, 10. K/min, 250. C @ 5. min
Capillary	VF-5 MS	789.	Leffingwell and Alford, 2011	60. m/0.32 mm/0.25 μm, Helium, 2. K/min, 260. C @ 28. min; T_start: 30. C
Capillary	VF-5 MS	791.	Leffingwell and Alford, 2011	60. m/0.32 mm/0.25 μm, Helium, 2. K/min, 260. C @ 28. min; T_start: 30. C
Capillary	OV-101	768.	Zenkevich, Eliseenkov, et al., 2011	25. m/0.20 mm/0.25 μm, Nitrogen, 6. K/min; T_start: 40. C; T_end: 240. C
Capillary	SPB-5	789.	Sivadier, Ratel, et al., 2009	60. m/0.32 mm/1.00 μm, 40. C @ 5. min, 3. K/min, 230. C @ 10. min
Capillary	HP-5	792.	Mildner-Szkudlarz and Jelen, 2008	10. m/0.10 mm/0.40 μm, Helium, 40. C @ 1. min, 20. K/min, 280. C @ 1. min
Capillary	5 % Phenyl methyl siloxane	792.	Ramirez R. and Cava R., 2007	30. m/0.25 mm/1. μm, He, 40. C @ 10. min, 7. K/min, 250. C @ 5. min
Capillary	HP-5	790.	Isidorov, Purzynska, et al., 2006	30. m/0.25 mm/0.25 μm, He, 35. C @ 5. min, 3. K/min; T_end: 200. C
Capillary	MDN-5	787.	van Loon, Linssen, et al., 2005	60. m/0.25 mm/0.25 μm, He, 40. C @ 4. min, 4. K/min, 270. C @ 5. min
Capillary	HP-5	788.	N/A	30. m/0.32 mm/0.25 μm, Helium, 40. C @ 2. min, 5. K/min, 250. C @ 5. min
Capillary	HP-5	790.	N/A	30. m/0.32 mm/0.25 μm, Helium, 40. C @ 2. min, 5. K/min, 250. C @ 5. min
Capillary	DB-5	786.	Dhanda, Pegg, et al., 2003	60. m/0.25 mm/0.25 μm, He, 35. C @ 2. min, 5. K/min, 280. C @ 4. min
Capillary	SPB-5	786.	Sebastian, Viallon-Fernandez, et al., 2003	60. m/0.32 mm/1.0 μm, Helium, 3. K/min; T_start: 30. C; T_end: 230. C
Capillary	DB-5	789.	Joffraud, Leroi, et al., 2001	60. m/0.32 mm/1. μm, He, 40. C @ 5. min, 3. K/min; T_end: 200. C
Capillary	HP-5	789.	García, Martín, et al., 2000	60. m/0.32 mm/1. μm, He, 3. K/min; T_start: 40. C; T_end: 240. C
Capillary	OV-101	761.	Tamura, Boonbumrung, et al., 2000	Nitrogen, 40. C @ 10. min, 2. K/min; Column length: 50. m; Column diameter: 0.25 mm; T_end: 200. C
Capillary	HP-5	800.	Boylston and Viniyard, 1998	50. m/0.32 mm/0.52 μm, 35. C @ 15. min, 2. K/min, 250. C @ 45. min
Capillary	DB-1	770.	Robacker and Bartelt, 1997	30. m/0.32 mm/0.5 μm, He, 35. C @ 1. min, 10. K/min; T_end: 200. C
Capillary	DB-1	761.	Buttery, Stern, et al., 1994	He, 30. C @ 25. min, 4. K/min, 200. C @ 20. min; Column length: 60. m; Column diameter: 0.32 mm
Capillary	Cross-Linked Methylsilicone	765.	Bravo and Hotchkiss, 1993	He, 35. C @ 3. min, 4. K/min; Column length: 25. m; Column diameter: 0.32 mm; T_end: 225. C
Capillary	DB-5	792.	Moio, Dekimpe, et al., 1993	30. m/0.32 mm/1. μm, H2, 3. K/min; T_start: 40. C; T_end: 220. C
Capillary	DB-5	793.	Moio, Dekimpe, et al., 1993	30. m/0.32 mm/1. μm, H2, 3. K/min; T_start: 40. C; T_end: 220. C
Capillary	DB-1	759.	Shiota, 1993	30. m/0.25 mm/0.25 μm, He, 50. C @ 5. min, 3. K/min; T_end: 240. C
Capillary	DB-1	761.	Shiota, 1993	30. m/0.25 mm/0.25 μm, He, 50. C @ 5. min, 3. K/min; T_end: 240. C
Capillary	DB-1	761.	Shiota, 1993	30. m/0.25 mm/0.25 μm, He, 50. C @ 3. min, 5. K/min; T_end: 240. C
Capillary	DB-1	761.	Shiota, 1993	30. m/0.25 mm/0.25 μm, He, 50. C @ 3. min, 5. K/min; T_end: 240. C
Capillary	DB-5	790.	Lee, Macku, et al., 1991	60. m/0.25 mm/0.25 μm, 40. C @ 5. min, 2. K/min; T_end: 250. C
Capillary	DB-5	792.	Macku and Shibamoto, 1991	He, 40. C @ 5. min, 2. K/min; Column length: 60. m; Column diameter: 0.25 mm; T_end: 160. C
Capillary	DB-5	793.	Macku and Shibamoto, 1991, 2	He, 40. C @ 5. min, 2. K/min; Column length: 60. m; Column diameter: 0.25 mm; T_end: 160. C
Capillary	OV-101	747.	Misharina, Golovnya, et al., 1991	50. m/0.32 mm/0.5 μm, He, 4. K/min; T_start: 50. C; T_end: 250. C
Capillary	OV-101	772.	Anker, Jurs, et al., 1990	2. K/min; Column length: 50. m; Column diameter: 0.28 mm; T_start: 80. C; T_end: 200. C
Capillary	DB-1	775.	Habu, Flath, et al., 1985	3. K/min; Column length: 50. m; Column diameter: 0.32 mm; T_start: 0. C; T_end: 250. C
Capillary	OV-101	767.	del Rosario, de Lumen, et al., 1984	He, 0. C @ 1. min, 3. K/min; Column length: 50. m; Column diameter: 0.31 mm; T_end: 225. C
Capillary	SP 2100	760.	Labropoulos, Palmer, et al., 1982	Helium, 10. K/min; Column length: 40. m; Column diameter: 0.20 mm; T_start: 40. C; T_end: 200. C
Capillary	SF-96	779.	Donetzhuber, Johansson, et al., 1976	Nitrogen, 3. K/min, 130. C @ 40. min; Column length: 111. m; Column diameter: 0.76 mm; Initial hold: 8. min

Normal alkane RI, non-polar column, custom temperature program

View large format table.

Column type	Active phase	I	Reference	Comment
Capillary	TR-5 MS	797.	Kurashov, Mitrukova, et al., 2014	15. m/0.25 mm/0.25 μm, Helium; 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)
Capillary	HP-5	791.	Pugliese, Sirtori, et al., 2009	50. m/0.32 mm/1.05 μm, Helium; Program: not specified
Capillary	Squalane	778.	Chen, 2008	Program: not specified
Capillary	Methyl Silicone	747.	Chen and Feng, 2007	Program: not specified
Capillary	Methyl Silicone	768.	Feng and Mu, 2007	Program: not specified
Capillary	DB-5 MS	795.	Liu, Xu, et al., 2007	60. m/0.32 mm/1.0 μm, Helium; Program: 40 0C (2 min) 6 0C/min -> 100 0C 4 0C/min -> 180 0C 8 0C/min -> 250 0C (12 min)
Capillary	HP-5MS	791.	Mallia, Escher, et al., 2007	Program: not specified
Capillary	HP-5	788.	Splivallo, Bossi, et al., 2007	He; Program: 50C => 3C/min => 200C(10min) => 10C/min => 290C(10min)
Capillary	Methyl Silicone	769.	Blunden, Aneja, et al., 2005	60. m/0.32 mm/1.0 μm, Helium; Program: -50 0C (2 min) 8 0C/min -> 200 0C (7.75 min) 25 0C -> 225 0C (8 min)
Capillary	DB-1	756.	Cramer, Mattinson, et al., 2005	60. m/0.32 mm/0.25 μm, He; Program: 33C(5min) => 2C/min => 50c => 5C/min => 225C
Capillary	HP-5	782.	Thierry, Maillard, et al., 2005	60. m/0.32 mm/1. μm; Program: not specified
Capillary	HP-5	791.	Garcia-Estaban, Ansorena, et al., 2004	50. m/0.32 mm/1.05 μm; Program: 40C(10min) => 5C/min => 200C => 20C/min => 250C(5min)
Capillary	DB-5	791.	Garcia-Estaban, Ansorena, et al., 2004, 2	50. m/0.32 mm/1.05 μm; Program: 40C(10min) => 5C/min => 200C => 20C/min => 250C (5min)
Capillary	HP-1	767.	Junkes, Amboni, et al., 2004	Program: not specified
Capillary	SE-30	772.	Vinogradov, 2004	Program: not specified
Capillary	SPB-5	786.	Begnaud, Pérès, et al., 2003	60. m/0.32 mm/1. μm; Program: not specified
Capillary	DB-5	790.	Chung, Heymann, et al., 2003	60. m/0.25 mm/0.25 μm; Program: 35C => 5C/min => 120C => 2C/min => 160C => 7C/min => 250C
Capillary	Polydimethyl siloxane	767.	Junkes, Castanho, et al., 2003	Program: not specified
Capillary	BPX-5	788.	Machiels, van Ruth, et al., 2003	60. m/0.32 mm/1. μm, He; Program: 40C (4min) => 2C/min => 90C => 4C/min => 130C => 8C/min => 250 C (10min)
Capillary	Methyl phenyl siloxane (not specified)	787.	Poligne, Collignan, et al., 2002	Program: not specified
Capillary	DB-5 MS	806.	Luo and Agnew, 2001	30. m/0.25 mm/1.0 μm, Helium; Program: not specified
Capillary	Methyl Silicone	768.	Estrada and Gutierrez, 1999	Program: not specified
Capillary	SPB-1	771.	Flanagan, Streete, et al., 1997	60. m/0.53 mm/5. μm, He; Program: 40C(6min) => 5C/min => 80C => 10C/min => 200C
Capillary	Polydimethyl siloxanes	768.	Zenkevich and Chupalov, 1996	Program: not specified
Capillary	DB-1	768.	Ciccioli, Cecinato, et al., 1994	60. m/0.32 mm/0.25 μm; Program: not specified
Capillary	DB-1	768.	Ciccioli, Brancaleoni, et al., 1993	60. m/0.32 mm/0.25 μm; Program: 3 min at 5 C; 5 - 50 C at 3 deg/min; 50 - 220 C at 5 deg/min
Capillary	SPB-1	771.	Strete, Ruprah, et al., 1992	60. m/0.53 mm/5.0 μm, Helium; Program: 40 0C (6 min) 5 0C/min -> 80 0C 10 0C/min -> 200 0C
Capillary	SPB-1	787.	Strete, Ruprah, et al., 1992	60. m/0.53 mm/5.0 μm, Helium; Program: not specified
Capillary	DB-1	769.	Takeoka, Flath, et al., 1988	30. m/0.25 mm/0.25 μm, H2; Program: 30C (2min) => 2C/min => 150C => 4C/min => 250C
Capillary	DB-1	769.	Takeoka, Flath, et al., 1988	30. m/0.25 mm/0.25 μm, H2; Program: 30C (2min) => 2C/min => 150C => 4C/min => 250C
Capillary	OV-1	787.	Ramsey and Flanagan, 1982	Program: not specified

Normal alkane RI, polar column, isothermal

View large format table.

Column type	Active phase	Temperature (C)	I	Reference	Comment
Capillary	DB-Wax	60.	1102.	Shimadzu, 2003, 2	50. m/0.32 mm/1. μm, He
Packed	PEG	100.	1112.	Dowling, Evans, et al., 1990	Phasesep W (10 %)

Normal alkane RI, polar column, temperature ramp

View large format table.

Column type	Active phase	I	Reference	Comment
Capillary	DB-Wax	1100.	Shimadzu, 2012	30. m/0.32 mm/0.50 μm, Helium, 4. K/min; T_start: 40. C; T_end: 260. C
Capillary	DB-Wax	1069.	Moon and Shibamoto, 2010	60. m/0.25 mm/0.50 μm, Helium, 40. C @ 5. min, 2. K/min, 210. C @ 70. min
Capillary	DB-Wax	1075.	Karlsson, Birgersson, et al., 2009	30. m/0.25 mm/0.25 μm, Hydrogen, 30. C @ 5. min, 8. K/min, 230. C @ 10. min
Capillary	RTX-Wax	1083.	Prososki, Etzel, et al., 2007	30. m/0.25 mm/0.5 μm, He, 40. C @ 5. min, 10. K/min, 220. C @ 10. min
Capillary	ZB-Wax	1074.	N/A	30. m/0.32 mm/0.25 μm, Helium, 40. C @ 2. min, 5. K/min, 250. C @ 5. min
Capillary	ZB-Wax	1077.	N/A	30. m/0.32 mm/0.25 μm, Helium, 40. C @ 2. min, 5. K/min, 250. C @ 5. min
Capillary	DB-Wax	1100.	Shimadzu Corporation, 2003	30. m/0.32 mm/0.5 μm, He, 4. K/min; T_start: 40. C; T_end: 260. C
Capillary	DB-Wax	1077.	Tanaka, Yamauchi, et al., 2003	30. m/0.25 mm/0.25 μm, 30. C @ 1. min, 4. K/min; T_end: 250. C
Capillary	DB-Wax	1088.	Tanaka, Yamauchi, et al., 2003	30. m/0.25 mm/0.25 μm, 30. C @ 1. min, 4. K/min; T_end: 250. C
Capillary	DB-Wax	1107.	Tamura, Boonbumrung, et al., 2000	Nitrogen, 40. C @ 10. min, 2. K/min; Column length: 60. m; Column diameter: 0.25 mm; T_end: 200. C
Capillary	DB-Wax	1068.	Horiuchi, Umano, et al., 1998	60. m/0.25 mm/1. μm, He, 3. K/min, 200. C @ 40. min; T_start: 50. C
Capillary	DB-Wax	1078.	Umano, Hagi, et al., 1995	He, 40. C @ 2. min, 2. K/min; Column length: 60. m; Column diameter: 0.25 mm; T_end: 200. C
Capillary	Carbowax 20M	1070.	Anker, Jurs, et al., 1990	2. K/min; Column length: 80. m; Column diameter: 0.2 mm; T_start: 70. C; T_end: 170. C
Capillary	SP-1000	1095.	De Llano D.G., Ramos M., et al., 1990	25. m/0.2 mm/0.43 μm, N2, 4. K/min, 190. C @ 30. min; T_start: 60. C
Capillary	Carbowax 20M	1100.	Buttery, Kamm, et al., 1984	1. K/min, 170. C @ 30. min; Column length: 150. m; Column diameter: 0.64 mm; T_start: 50. C
Capillary	Carbowax 20M	1076.	Labropoulos, Palmer, et al., 1982	Helium, 10. K/min; Column length: 31. m; Column diameter: 0.50 mm; T_start: 40. C; T_end: 200. C
Capillary	Carbowax 20M	1080.	Seifert and King, 1982	He, 50. C @ 10. min, 1. K/min, 170. C @ 60. min; Column length: 150. m; Column diameter: 0.64 mm

Normal alkane RI, polar column, custom temperature program

View large format table.

Column type	Active phase	I	Reference	Comment
Capillary	Innowax FSC	1087.	Bardakci, Demirci, et al., 2012	60. m/0.25 mm/0.25 μm, Helium; Program: 60 0C (10 min) 4 0C/min -> 220 0C 1 0C/min -> 240 0C
Capillary	Innowax	1097.	Junkes, Amboni, et al., 2004	Program: not specified
Capillary	Carbowax 20M	1070.	Vinogradov, 2004	Program: not specified
Capillary	CP-Wax 52CB	1090.	Muresan, Eillebrecht, et al., 2000	50. m/0.32 mm/1.2 μm; Program: 40C(10min) => 3C/min => 190C => 10C/min => 250C(5min)
Capillary	DB-Wax	1078.	Peng, Yang, et al., 1991	Program: not specified
Capillary	Polyethylene Glycol	1070.	MacLeod and Pieris, 1981	Program: not specified

References

Go To: Top, Gas phase ion energetics data, Gas Chromatography, Notes

Ashmore and Burgess, 1978
Ashmore, F.S.; Burgess, A.R., Photoelectron spectra of the unbranched C₅-C₇ alkenes, aldehydes and ketones, J. Chem. Soc. Faraday Trans. 2, 1978, 74, 734. [all data]

Hernandez, Masclet, et al., 1977
Hernandez, R.; Masclet, P.; Mouvier, G., Spectroscopie de photoelectrons d'aldehydes et de cetones aliphatiques, J. Electron Spectrosc. Relat. Phenom., 1977, 10, 333. [all data]

McLafferty, Bente, et al., 1973
McLafferty, F.W.; Bente, P.F., III; Kornfeld, R.; Tsai, S.-C.; Howe, I., Collisional activation spectra of organic ions, J. Am. Chem. Soc., 1973, 95, 2120. [all data]

Cocksey, Eland, et al., 1971
Cocksey, B.J.; Eland, J.H.D.; Danby, C.J., The effect of alkyl substitution on ionisation potential, J. Chem. Soc., 1971, (B), 790. [all data]

Murad and Inghram, 1964
Murad, E.; Inghram, M.G., Photoionization of aliphatic ketones, J. Chem. Phys., 1964, 40, 3263. [all data]

Watanabe, Nakayama, et al., 1962
Watanabe, K.; Nakayama, T.; Mottl, J., Ionization potentials of some molecules, J. Quant. Spectry. Radiative Transfer, 1962, 2, 369. [all data]

Vilesov, 1960
Vilesov, F.I., The photoionization of vapors of compounds whose molecules contain carbonyl groups, Dokl. Phys. Chem., 1960, 132, 521, In original 1332. [all data]

Benoit and Harrison, 1977
Benoit, F.M.; Harrison, A.G., Predictive value of proton affinity. Ionization energy correlations involving oxygenated molecules, J. Am. Chem. Soc., 1977, 99, 3980. [all data]

Potzinger and Bunau, 1969
Potzinger, P.; Bunau, G.v., Empirische Beruksichtigung von Uberschussenergien bei der Auftrittspotentialbestimmung, Ber. Bunsen-Ges. Phys. Chem., 1969, 73, 466. [all data]

Burgers and Holmes, 1982
Burgers, P.C.; Holmes, J.L., Metastable ion studies. XIII. The measurement of appearance energies of metastable peaks, Org. Mass Spectrom., 1982, 17, 123. [all data]

Holmes and Lossing, 1980
Holmes, J.L.; Lossing, F.P., Gas-phase heats of formation of keto and enol ions of carbonyl compounds., J. Am. Chem. Soc., 1980, 102, 1591. [all data]

Burkell, Fridgen, et al., 2003
Burkell, J.L.; Fridgen, T.D.; McMahon, T.B., Gas-phase acidities and sites of deprotonation of 2-ketones and structures of the corresponding enolates, Int. J. Mass Spectrom., 2003, 227, 3, 497-508, https://doi.org/10.1016/S1387-3806(03)00102-7 . [all data]

Hu, Lu, et al., 2006
Hu, X.-F.; Lu, C.-H.; Yin, C.-S., Modeling Gas Chromatographic Retention Indices of Oxygen-containing Compounds by Novel Atom-type Topological Indices, Chinese Journal of Chemical Physics, 2006, 19, 3, 243-247, https://doi.org/10.1360/cjcp2006.19(3).243.5 . [all data]

Ciaznska-Halarewicz and Kowalska, 2003
Ciaznska-Halarewicz, K.; Kowalska, T., A study of the dependence of the Kováts retention index on the temperature of analysis on stationary phases of different polarity, Acta Chromatogr., 2003, 13, 69-80. [all data]

Ciazynska-Halarewicz, Borucka, et al., 2002
Ciazynska-Halarewicz, K.; Borucka, H.E.; Kowalska, T., Temperature dependence of Kováts indices in gas chromatography. Statistical and thermodynamic verification of a 'kinetic' model, Acta Chromatogr., 2002, 12, 65-79. [all data]

Héberger, Görgényi, et al., 2002
Héberger, K.; Görgényi, M.; Kowalska, T., Temperature dependence of Kováts indices in gas chromatography revisited, J. Chromatogr. A, 2002, 973, 1-2, 135-142, https://doi.org/10.1016/S0021-9673(02)01198-6 . [all data]

Garay, 2000
Garay, F., Application of a flow-tunable, serially coupled gas chromatographic capillary column system for the analysis of complex mixtures, Chromatographia Sup., 2000, 51, 1, s108-s120, https://doi.org/10.1007/BF02492792 . [all data]

Héberger and Görgényi, 1999
Héberger, K.; Görgényi, M., Principal component analysis of Kováts indices for carbonyl compounds in capillary gas chromatography, J. Chromatogr., 1999, 845, 1-2, 21-31, https://doi.org/10.1016/S0021-9673(99)00323-4 . [all data]

Golovnya, Syomina, et al., 1997
Golovnya, R.V.; Syomina, L.A.; Samusenko, A.L., Temperature changes of sorption parameters of di-n-alkylketones and methylcyclohexanones in capillary gas chromatography, Russ. Chem. Bull. (Engl. Transl.), 1997, 46, 2, 314-318, https://doi.org/10.1007/BF02494370 . [all data]

Cha and Lee, 1994
Cha, K.-W.; Lee, D.-J., Prediction of retention indices of various compounds in gas-liquid chromatography, J. Korean Chem. Soc., 1994, 38, 2, 108-120, retrieved from http://journal.kcsnet.or.kr/publi/dh/dh94n2/108.pdf. [all data]

Reddy, Dutoit, et al., 1992
Reddy, K.S.; Dutoit, J.-Cl.; Kovats, E. sz., Pair-wise interactions by gas chromatography. I. Interaction free enthalpies of solutes with non-associated primary alcohol groups, J. Chromatogr., 1992, 609, 1-2, 229-259, https://doi.org/10.1016/0021-9673(92)80167-S . [all data]

Grigor'eva, Vasil'ev, et al., 1989
Grigor'eva, D.N.; Vasil'ev, A.V.; Golovnya, R.V., Variation in retention indices and equivalent chain lengths of homologous series of n-alkyl acetates, n-alkyl methyl ketones, and methyl esters of aliphatic carboxylic acids as a function of homolog number and analysis temperature, Zh. Anal. Khim., 1989, 44, 1, 68-73. [all data]

Svetlova, Samusenko, et al., 1986
Svetlova, N.I.; Samusenko, A.L.; Golovnya, R.V., Advantage of the universal equation over the linear equation for the calculation of retention parameters of homologous series in capillary chromatography, J. Hi. Res. Chromatogr. Chromatogr. Comm., 1986, 9, 12, 737-740, https://doi.org/10.1002/jhrc.1240091205 . [all data]

Jaworski, 1982
Jaworski, M., Wybrane przyklady stosowania systemu indeksów retencji, Przem. Chem., 1982, 61, 9, 334-338. [all data]

Haken, Nguyen, et al., 1979
Haken, J.K.; Nguyen, A.; Wainwright, M.S., Application of linear extrathermodynamic relationships to alcohols, aldehydes, ketones, amd ethoxy alcohols, J. Chromatogr., 1979, 179, 1, 75-85, https://doi.org/10.1016/S0021-9673(00)80658-5 . [all data]

Bogoslovsky, Anvaer, et al., 1978
Bogoslovsky, Yu.N.; Anvaer, B.I.; Vigdergauz, M.S., Chromatographic constants in gas chromatography (in Russian), Standards Publ. House, Moscow, 1978, 192. [all data]

Evans and Newton, 1976
Evans, M.B.; Newton, R., Inverse gas chromatography in the study of polymer degradation. Part I. Oxidation of squalene as a model for the oxidative degradation of natural rubber, Chromatographia, 1976, 9, 11, 561-566, https://doi.org/10.1007/BF02275963 . [all data]

Riedo, Fritz, et al., 1976
Riedo, F.; Fritz, D.; Tarján, G.; Kováts, E.Sz., A tailor-made C₈₇ hydrocarbon as a possible non-polar standard stationary phase for gas chromatography, J. Chromatogr., 1976, 126, 63-83, https://doi.org/10.1016/S0021-9673(01)84063-2 . [all data]

Ryba, 1976
Ryba, M., Unlösliche Restfilme er stationären Flüssigkeit in gas-chromatographischen Glaskapillaren, Chromatographia, 1976, 9, 3, 105-112, https://doi.org/10.1007/BF02330376 . [all data]

Haken, Ho, et al., 1975
Haken, J.K.; Ho, D.K.M.; Vaughan, C.E., Gas chromatography of homologous esters. VII. The retention behaviour of pyruvate esters and related carbonyl and carboxyl compounds, J. Chromatogr., 1975, 106, 2, 317-325, https://doi.org/10.1016/S0021-9673(00)93839-1 . [all data]

Schomburg and Dielmann, 1973
Schomburg, G.; Dielmann, G., Identification by means of retention parameters, J. Chromatogr. Sci., 1973, 11, 3, 151-159, https://doi.org/10.1093/chromsci/11.3.151 . [all data]

Mira and Sanchez, 1970
Mira, J.M.; Sanchez, L.G., Polarity of the Gas Chromatographic Stationary Phases and Retention Indices of Aliphatic Esters, Ketones and Alcohols, Anal. Chim. Acta., 1970, 50, 2, 315-321, https://doi.org/10.1016/0003-2670(70)80071-X . [all data]

Brown, Chapman, et al., 1968
Brown, I.; Chapman, I.L.; Nicholson, G.J., Gas chromatography of polar solutes in electron acceptor stationary phases, Aust. J. Chem., 1968, 21, 5, 1125-1141, https://doi.org/10.1071/CH9681125 . [all data]

Wehrli and Kováts, 1959
Wehrli, A.; Kováts, E., Gas-chromatographische Charakterisierung ogranischer Verbindungen. Teil 3: Berechnung der Retentionsindices aliphatischer, alicyclischer und aromatischer Verbindungen, Helv. Chim. Acta, 1959, 7, 7, 2709-2736, https://doi.org/10.1002/hlca.19590420745 . [all data]

Shimadzu, 2003
Shimadzu, Gas chromatography analysis of organic solvents using capillary columns (No. 2), 2003, retrieved from http://www.shimadzu.com/apps/form.cfm. [all data]

Takeoka, Perrino, et al., 1996
Takeoka, G.; Perrino, C., Jr.; Buttery, R., Volatile constituents of used frying oils, J. Agric. Food Chem., 1996, 44, 3, 654-660, https://doi.org/10.1021/jf950430m . [all data]

Takeoka, Flath, et al., 1990
Takeoka, G.R.; Flath, R.A.; Mon, T.R.; Teranishi, R.; Guentert, M., Volatile Constituents of Apricot (Prunus armeniaca), J. Agric. Food Chem., 1990, 38, 2, 471-477, https://doi.org/10.1021/jf00092a031 . [all data]

Rembold, Wallner, et al., 1989
Rembold, H.; Wallner, P.; Nitz, S.; Kollmannsberger, H.; Drawert, F., Volatile components of chickpea (Cicer arietinum L.) seed, J. Agric. Food Chem., 1989, 37, 3, 659-662, https://doi.org/10.1021/jf00087a018 . [all data]

Ohnishi and Shibamoto, 1984
Ohnishi, S.; Shibamoto, T., Volatile compounds from heated beef fat and beef fat with glycine, J. Agric. Food Chem., 1984, 32, 5, 987-992, https://doi.org/10.1021/jf00125a008 . [all data]

Slizhov and Gavrilenko, 2001
Slizhov, Yu.G.; Gavrilenko, M.A., Effect of thermal treatment of poly(ethylene glycol) modified with europium acetylacetonate on its chromatographic properties, Russ. J. Phys. Chem. (Engl. Transl.), 2001, 75, 6, 1012-1013. [all data]

Wu, Zorn, et al., 2007
Wu, S.; Zorn, H.; Krings, U.; Berger, R.G., Volatiles from submerged and surface-cultured beefsteak fungus, Fistulina hepatica, Flavour Fragr. J., 2007, 22, 1, 53-60, https://doi.org/10.1002/ffj.1758 . [all data]

Solina, Baumgartner, et al., 2005
Solina, M.; Baumgartner, P.; Johnson, R.L.; Whitfield, F.B., Volatile aroma components of soy protein isolate and acid-hydrolysed vegetable protein, Food Chem., 2005, 90, 4, 861-873, https://doi.org/10.1016/j.foodchem.2004.06.005 . [all data]

Hierro, de la Hoz, et al., 2004
Hierro, E.; de la Hoz, L.; Ordóñez, J.A., Headspace volatile compounds from salted and occasionally smoked dried meats (cecinas) as affected by animal species, Food Chem., 2004, 85, 4, 649-657, https://doi.org/10.1016/j.foodchem.2003.07.001 . [all data]

Sun and Stremple, 2003
Sun, G.; Stremple, P., Retention index characterization of flavor, fragrance, and many other compounds on DB-1 and DB-XLB, 2003, retrieved from http://www.chem.agilent.com/cag/cabu/pdf/b-0279.pdf. [all data]

Xu, van Stee, et al., 2003
Xu, X.; van Stee, L.L.P.; Williams, J.; Beens, J.; Adahchour, M.; Vreuls, R.J.J.; Brinkman, U.A.Th.; Lelieveld, J., Comprehensive two-dimensional gas chromatography (GC×GC) measurements of volatile organic compounds in the atmosphere, Atmos. Chem. Phys., 2003, 3, 3, 665-682, https://doi.org/10.5194/acp-3-665-2003 . [all data]

Bredie, Mottram, et al., 2002
Bredie, W.L.P.; Mottram, D.S.; Guy, R.C.E., Effect of temperature and pH on the generation of flavor volatiles in extrusion cooking of wheat flour, J. Agric. Food Chem., 2002, 50, 5, 1118-1125, https://doi.org/10.1021/jf0111662 . [all data]

Venskutonis, Vasiliauskaite, et al., 2002
Venskutonis, R.P.; Vasiliauskaite, R.; Galdikas, A.; Setkus, A., Use of GC-headspace and electronic nose for the detection of volatile compounds from glucose-glycine Maillard reaction, Food Control, 2002, 13, 1, 13-21, https://doi.org/10.1016/S0956-7135(01)00045-7 . [all data]

Larráyoz, Addis, et al., 2001
Larráyoz, P.; Addis, M.; Gauch, R.; Bosset, J.O., Comparison of dynamic headspace and simultaneous distillation extraction techniques used for the analysis of the volatile components in three European PDO ewes milk cheeses, Int. Dairy J., 2001, 11, 11-12, 911-926, https://doi.org/10.1016/S0958-6946(01)00144-3 . [all data]

Whitfield and Mottram, 2001
Whitfield, F.B.; Mottram, D.S., Heterocyclic volatiles formed by heating cysteine or hydrogen sulfide with 4-hydroxy-5-methyl-3(2H)-furanone at pH 6.5, J. Agric. Food Chem., 2001, 49, 2, 816-822, https://doi.org/10.1021/jf0008644 . [all data]

Moio, Piombino, et al., 2000
Moio, L.; Piombino, P.; Addeo, F., Odour-impact compounds of Gorgonzola cheese, J. Dairy Res., 2000, 67, 2, 273-285, https://doi.org/10.1017/S0022029900004106 . [all data]

Madruga and Mottram, 1998
Madruga, M.S.; Mottram, D.S., The effect of pH on the formation of volatile compounds produced by heating a model system containing 5'-imp and cysteine, J. Braz. Chem. Soc., 1998, 9, 3, 261-271, https://doi.org/10.1590/S0103-50531998000300010 . [all data]

Moio and Addeo, 1998
Moio, L.; Addeo, F., Grana Padano cheese aroma, J. Dairy Res., 1998, 65, 2, 317-333, https://doi.org/10.1017/S0022029997002768 . [all data]

Bartelt, 1997
Bartelt, R.J., Calibration of a commercial solid-phase microextraction device for measuring headspace concentrations of organic volatiles, Anal. Chem., 1997, 69, 3, 364-372, https://doi.org/10.1021/ac960820n . [all data]

Misharina and Golovnya, 1996
Misharina, T.A.; Golovnya, R.V., Study of the composition of volatiles in raw and processed sardine by gas chromatography and gas chromatography-mass spectrometry, Zh. Anal. Khim., 1996, 51, 7, 791-795. [all data]

Moio L., Rillo L., et al., 1996
Moio L.; Rillo L.; Ledda A.; Addeo F., Odorous constituents of ovine milk in relationship to diet, J. Dairy Sci., 1996, 79, 8, 1322-1331, https://doi.org/10.3168/jds.S0022-0302(96)76488-3 . [all data]

Gómez, Ledbetter, et al., 1993
Gómez, E.; Ledbetter, C.A.; Hartsell, P.L., Volatile compounds in apricot, plum, and their interspecific hybrids, J. Agric. Food Chem., 1993, 41, 10, 1669-1676, https://doi.org/10.1021/jf00034a029 . [all data]

Zhang and Ho, 1989
Zhang, Y.; Ho, C.-T., Volatile compounds formed from thermnal interaction of 2,4-decadienal with cysteine and glutathione, J. Agric. Food Chem., 1989, 37, 4, 1016-1020, https://doi.org/10.1021/jf00088a044 . [all data]

Guichard and Souty, 1988
Guichard, E.; Souty, M., Comparison of the relative quantities of aroma compounds found in fresh apricot (Prunus armeniaca) from six different varieties, Z. Lebensm. Unters. Forsch., 1988, 186, 4, 301-307, https://doi.org/10.1007/BF01027031 . [all data]

Golovnya and Uraletz, 1971
Golovnya, V.; Uraletz, V.P., Gas chromatographic analysis of flavour components with correlation isothermal retention indices, J. Chromatogr., 1971, 61, 65-71, https://doi.org/10.1016/S0021-9673(00)92384-7 . [all data]

Elmore, Mottram, et al., 2000
Elmore, J.S.; Mottram, D.S.; Enser, M.; Wood, J.D., The effects of diet and breed on the volatile compounds of cooked lamb, Meat Sci., 2000, 55, 2, 149-159, https://doi.org/10.1016/S0309-1740(99)00137-0 . [all data]

Parker, Hassell, et al., 2000
Parker, J.K.; Hassell, G.M.E.; Mottram, D.S.; Guy, R.C.E., Sensory and instrumental analyses of volatiles generated during the extrusion cooking of oat flours, J. Agric. Food Chem., 2000, 48, 8, 3497-3506, https://doi.org/10.1021/jf991302r . [all data]

Boulanger, Chassagne, et al., 1999
Boulanger, R.; Chassagne, D.; Crouzet, J., Free and bound flavour components of amazonian fruits. 1: Bacuri, Flavour Fragr. J., 1999, 14, 5, 303-311, https://doi.org/10.1002/(SICI)1099-1026(199909/10)14:5<303::AID-FFJ834>3.0.CO;2-C . [all data]

Elmore, Mottram, et al., 1999
Elmore, J.S.; Mottram, D.S.; Enser, M.; Wood, J.D., Effect of the polyunsaturated fatty acid composition of beef muscle on the profile of aroma volatiles, J. Agric. Food Chem., 1999, 47, 4, 1619-1625, https://doi.org/10.1021/jf980718m . [all data]

Ledauphin, Basset, et al., 2006
Ledauphin, J.; Basset, B.; Cohen, S.; Payot, T.; Barillier, D., Identification of trace volatile compounds in freshly distilled Calvados and Cognac: Carbonyl and sulphur compounds, J. Food Comp. Anal., 2006, 19, 1, 28-40, https://doi.org/10.1016/j.jfca.2005.03.001 . [all data]

Malliaa, Fernandez-Garcia, et al., 2005
Malliaa, S.; Fernandez-Garcia, E.; Bosset, J.O., Comparison of purge and trap and solid phase microextraction techniques for studying the volatile aroma compounds of three European PDO hard cheeses, Int. Dairy J., 2005, 15, 6-9, 741-758, https://doi.org/10.1016/j.idairyj.2004.11.007 . [all data]

Chung, Yung, et al., 2002
Chung, H.-Y.; Yung, I.K.S.; Ma, W.C.J.; Kim, J.-S., Analysis of volatile components in frozen and dried scallops (Patinopecten yessoensis) by gas chromatography/mass spectrometry, Food Res. Int., 2002, 35, 1, 43-53, https://doi.org/10.1016/S0963-9969(01)00107-7 . [all data]

Chung, Yung, et al., 2001
Chung, H.Y.; Yung, I.K.S.; Kim, J.-S., Comparison of volatile components in dried scallops (Chlamys farreri and Patinopecten yessoensis) prepared by boiling and steaming methods, J. Agric. Food Chem., 2001, 49, 1, 192-202, https://doi.org/10.1021/jf000692a . [all data]

Chung, 1999
Chung, H.Y., Volatile components in crabmeats of Charybdis feriatus, J. Agric. Food Chem., 1999, 47, 6, 2280-2287, https://doi.org/10.1021/jf981027t . [all data]

Ott, Fay, et al., 1997
Ott, A.; Fay, L.B.; Chaintreau, A., Determination and origin of the aroma impact compounds of yogurt flavor, J. Agric. Food Chem., 1997, 45, 3, 850-858, https://doi.org/10.1021/jf960508e . [all data]

Chung and Cadwallader, 1993
Chung, H.Y.; Cadwallader, K.R., Volatile components in blue crab (Callinectes sapidus) meat and processing by-product, J. Food Sci., 1993, 58, 6, 1203-1207, https://doi.org/10.1111/j.1365-2621.1993.tb06148.x . [all data]

Matiella and Hsieh, 1990
Matiella, J.E.; Hsieh, T.C.-Y., Analysis of crabmeat volatile compounds, J. Food Sci., 1990, 55, 4, 962-966, https://doi.org/10.1111/j.1365-2621.1990.tb01575.x . [all data]

Tanchotikul and Hsieh, 1989
Tanchotikul, U.; Hsieh, T.C.-Y., Volatile Flavor Components in Crayfish Waste, J. Food Sci., 1989, 54, 6, 1515-1520, https://doi.org/10.1111/j.1365-2621.1989.tb05149.x . [all data]

Vejaphan, Hsieh, et al., 1988
Vejaphan, W.; Hsieh, T.C.Y.; Williams, S.S., Volatile flavor components from boiled crayfish (Procambarus clarkii) tail meat, J. Food Sci., 1988, 53, 6, 1666-1670, https://doi.org/10.1111/j.1365-2621.1988.tb07811.x . [all data]

Bianchi, Careri, et al., 2007
Bianchi, F.; Careri, M.; Mangia, A.; Musci, M., Retention indices in the analysis of food aroma volatile compounds in temperature-programmed gas chromatography: Database creation and evaluation of precision and robustness, J. Sep. Sci., 2007, 39, 4, 563-572, https://doi.org/10.1002/jssc.200600393 . [all data]

Baek and Cadwallader, 1996
Baek, H.H.; Cadwallader, K.R., Volatile compounds in flavor concentrates produced from crayfish-processing byproducts with and without protease treatment, J. Agric. Food Chem., 1996, 44, 10, 3262-3267, https://doi.org/10.1021/jf960023q . [all data]

Yasuhara, 1987
Yasuhara, A., Identification of Volatile Compounds in Poultry Manure by Gas Chromatography-Mass Spectrometry, J. Chromatogr., 1987, 387, 371-378, https://doi.org/10.1016/S0021-9673(01)94539-X . [all data]

Tello, Lebron-Aguilar, et al., 2009
Tello, A.M.; Lebron-Aguilar, R.; Quintanilla-Lopez, J.E.; Santiuste, J.M., Isothermal retention indices on poly93-cyanopropylmethyl)siloxane stationary phases, J. Chromatogr. A, 2009, 1216, 10, 1630-1639, https://doi.org/10.1016/j.chroma.2008.10.025 . [all data]

Lebrón-Aguilar, Quintanilla-López, et al., 2007
Lebrón-Aguilar, R.; Quintanilla-López, J.E.; Tello, A.M.; Santiuste, J.M., Isothermal retention indices on poly (3,3,3-trifluoropropylmethylsiloxane) stationary phases, J. Chromatogr. A, 2007, 1160, 1-2, 276-288, https://doi.org/10.1016/j.chroma.2007.05.025 . [all data]

Shimadzu, 2003, 2
Shimadzu, Gas chromatography analysis of organic solvents using capillary columns (No. 3), 2003, retrieved from http://www.shimadzu.com/apps/form.cfm. [all data]

Amboni, Junkes, et al., 2002
Amboni, R.D.DeM.C.; Junkes, B. daS.; Yunes, R.A.; Heinzen, V.E.F., Quantitative structure-property relationships study of chromatographic retention indices and normal boiling points for oxo compounds using the semi-empirical topological method, J. Mol. Struct. (Theochem), 2002, 586, 1-3, 71-80, https://doi.org/10.1016/S0166-1280(02)00062-3 . [all data]

Kurdina, Markovich, et al., 1969
Kurdina, Z.G.; Markovich, V.E.; Sakharov, V.M., Gas chromatography of cyclic O-containing compounds in Gas chromatography, Issue # 10, NIITEKhim, Moscow, 1969, 128-133. [all data]

Goeminne, Vandendriessche, et al., 2012
Goeminne, P.C.; Vandendriessche, T.; Van Eldere, J.; Nicolai, B.M.; Hertog, M.L.; Dupont, L.J., Detection of Pseudomonas aeruginosa in sputum headspace through volatile organic compound analysis, Respiratory Res., 2012, 13, 87, 1-9. [all data]

Leffingwell and Alford, 2011
Leffingwell, J.; Alford, E.D., Volatile constituents of the giant pufball mushroom (Calvatia gigantea), Leffingwell Rep., 2011, 4, 1-17. [all data]

Zenkevich, Eliseenkov, et al., 2011
Zenkevich, I.G.; Eliseenkov, E.V.; Kasatochkin, A.N.; Zhakovskaya, Z.A.; Khoroshko, L.O., Gas chromatographic identification of chlorination products of aliphatic ketones, J. Chromatogr., 2011, 1218, 21, 3291-3299, https://doi.org/10.1016/j.chroma.2010.12.056 . [all data]

Sivadier, Ratel, et al., 2009
Sivadier, G.; Ratel, J.; Engel, E., Latency and persistence of diet volatile biomarkers in lamb fats, J. Agric. Food Chem., 2009, 57, 2, 645-652, https://doi.org/10.1021/jf802467q . [all data]

Mildner-Szkudlarz and Jelen, 2008
Mildner-Szkudlarz, S.; Jelen, H.H., The potential of different techniques for volatile compounds analysis coupled with PCA for the detection of the adulteration of olive oil with hazelnut oil, Food Chem., 2008, 110, 3, 751-761, https://doi.org/10.1016/j.foodchem.2008.02.053 . [all data]

Ramirez R. and Cava R., 2007
Ramirez R.; Cava R., Volatile profiles of dry-cured meat products from three different Iberian x Duroc genotypes, J. Agric. Food Chem., 2007, 55, 5, 1923-1931, https://doi.org/10.1021/jf062810l . [all data]

Isidorov, Purzynska, et al., 2006
Isidorov, V.; Purzynska, A.; Modzelewska, A.; Serowiecka, M., Distribution coefficients of aliphatic alcohols, carbonyl compounds and esters between air and Carboxen/polydimethylsiloxane fiber coating, Anal. Chim. Acta., 2006, 560, 1-2, 103-109, https://doi.org/10.1016/j.aca.2005.12.043 . [all data]

van Loon, Linssen, et al., 2005
van Loon, W.A.M.; Linssen, J.P.H.; Legger, A.; Posthumus, M.A.; Voragen, A.G.J., Identification and olfactometry of French fries flavour extracted at mouth conditions, Food Chem., 2005, 90, 3, 417-425, https://doi.org/10.1016/j.foodchem.2004.05.005 . [all data]

Dhanda, Pegg, et al., 2003
Dhanda, J.S.; Pegg, R.B.; Shand, P.J., Saskatchewan specialty livestock value-added program - Saskatchewan agri-food innovation fund (AFIF) Project #98000016, 2003, retrieved from http://www.agr.gov.sk.ca/afif/Projects/19980016.pdf. [all data]

Sebastian, Viallon-Fernandez, et al., 2003
Sebastian, I.; Viallon-Fernandez, C.; Berge, P.; Berdague, J.-L., Analysis of the volatile fraction of lamb fat tissue: influence of the type of feeding, Sciences des Aliments, 2003, 23, 4, 497-511, https://doi.org/10.3166/sda.23.497-511 . [all data]

Joffraud, Leroi, et al., 2001
Joffraud, J.J.; Leroi, F.; Roy, C.; Berdagué, J.L., Characterisation of volatile compounds produced by bacteria isolated from the spoilage flora of cold-smoked salmon, Int. J. Food Microbiol., 2001, 66, 3, 175-184, https://doi.org/10.1016/S0168-1605(00)00532-8 . [all data]

García, Martín, et al., 2000
García, C.; Martín, A.; Timón, M.L.; Córdoba, J.J., Microbial populations and volatile compounds in the 'bone taint' spoilage of dry cured ham, Lett. Appl. Microbiol., 2000, 30, 1, 61-66, https://doi.org/10.1046/j.1472-765x.2000.00663.x . [all data]

Tamura, Boonbumrung, et al., 2000
Tamura, H.; Boonbumrung, S.; Yoshizawa, T.; Varanyanond, W., Volatile components of the essential oil in the pulp of four yellow mangoes (Mangifera indica L.) in Thailand, Food Sci. Technol. Res., 2000, 6, 1, 68-73, https://doi.org/10.3136/fstr.6.68 . [all data]

Boylston and Viniyard, 1998
Boylston, T.D.; Viniyard, B.T., Isolation of volatile flavor compounds from peanut butter using purge-and-trap technique in Instrumental Methods in Food and Beverage Analysis, D. Wetzel and G. Charalambous, ed(s)., 1998, 225-243. [all data]

Robacker and Bartelt, 1997
Robacker, D.C.; Bartelt, R.J., Chemicals attractive to Mexican fruit fly from Klebsiella pneumoniae and Citrobacter freundii cultures sampled by solid-phase microextraction MICROEXTRACTION, J. Chem. Ecol., 1997, 23, 12, 2897-2915, https://doi.org/10.1023/A:1022579414233 . [all data]

Buttery, Stern, et al., 1994
Buttery, R.G.; Stern, D.J.; Ling, L.C., Studies on flavor volatiles of some sweet corn products, J. Agric. Food Chem., 1994, 42, 3, 791-795, https://doi.org/10.1021/jf00039a038 . [all data]

Bravo and Hotchkiss, 1993
Bravo, A.; Hotchkiss, J.H., Identification of volatile compounds resulting from the thermal oxidation of polyethylene, J. Appl. Polym. Sci., 1993, 47, 10, 1741-1748, https://doi.org/10.1002/app.1993.070471004 . [all data]

Moio, Dekimpe, et al., 1993
Moio, L.; Dekimpe, J.; Etievant, P.; Addeo, F., Neutral volatile compounds in the raw milks from different species, J. Dairy Res., 1993, 60, 2, 199-213, https://doi.org/10.1017/S0022029900027515 . [all data]

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]

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]

Macku and Shibamoto, 1991, 2
Macku, C.; Shibamoto, T., Volatile sulfur-containing compounds generated from the thermal interaction of corn oil and cysteine, J. Agric. Food Chem., 1991, 39, 11, 1987-1989, https://doi.org/10.1021/jf00011a021 . [all data]

Misharina, Golovnya, et al., 1991
Misharina, T.A.; Golovnya, R.V.; Charnomskii, V.V., Volatile components of boiled shrimp funchalia woodwardi and crab geryon maritae, Zh. Anal. Khim., 1991, 46, 1421-1429. [all data]

Anker, Jurs, et al., 1990
Anker, L.S.; Jurs, P.C.; Edwards, P.A., Quantitative structure-retention relationship studies of odor-active aliphatic compounds with oxygen-containing functional groups, Anal. Chem., 1990, 62, 24, 2676-2684, https://doi.org/10.1021/ac00223a006 . [all data]

Habu, Flath, et al., 1985
Habu, T.; Flath, R.A.; Mon, T.R.; Morton, J.F., Volatile components of Rooibos tea (Aspalathus linearis), J. Agric. Food Chem., 1985, 33, 2, 249-254, https://doi.org/10.1021/jf00062a024 . [all data]

del Rosario, de Lumen, et al., 1984
del Rosario, R.; de Lumen, B.O.; Habu, T.; Flath, R.A.; Mon, T.R.; Teranishi, R., Comparison of headspace volatiles from winged beans and soybeans, J. Agric. Food Chem., 1984, 32, 5, 1011-1015, https://doi.org/10.1021/jf00125a015 . [all data]

Labropoulos, Palmer, et al., 1982
Labropoulos, A.E.; Palmer, J.K.; Tao, P., Flavor evaluation and characterization of yogurt as affected by ultra-high temperature and vat processes, J. Dairy Sci., 1982, 65, 2, 191-196, https://doi.org/10.3168/jds.S0022-0302(82)82176-0 . [all data]

Donetzhuber, Johansson, et al., 1976
Donetzhuber, A.; Johansson, K.; Sandstroem, C., Gas phase characterization of wood, pulp, and paper, Appl. Polymer Symp., 1976, 28, 889-901. [all data]

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]

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]

Chen, 2008
Chen, H.-F., Quantitative prediction of gas chromatography retention indices with support vector machines, radial basis neutral networks and multiple linear regression, Anal. Chim. Acta, 2008, 609, 1, 24-36, https://doi.org/10.1016/j.aca.2008.01.003 . [all data]

Chen and Feng, 2007
Chen, Y.; Feng, C., QSPR study on gas chromatography retention index of some organic pollutants, Comput. Appl. Chem. (China), 2007, 24, 10, 1404-1408. [all data]

Feng and Mu, 2007
Feng, H.; Mu, L.-L., Quantitative structure-retention relationships for alkane and its derivatives based on electrotopological state index and molecular shape index, Chem. Ind. Engineering (Chinese), 2007, 24, 2, 161-168. [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]

Mallia, Escher, et al., 2007
Mallia, S.; Escher, F.; Rehberger, B.; Schlichtherle-Cerny, H., Aroma-active secondary oxidation products of butter, 3rd QLIF Congress, Hohenheim, Germany, March 20-23, 2007, 2007, retrieved from http://orgprints.org/view/projects/int_conf_qlif2007.html; http://orgprints.org/9734/. [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]

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]

Thierry, Maillard, et al., 2005
Thierry, A.; Maillard, M.-B.; Bonnarme, P.; Roussel, E., The addition of Propionibacterium freudenreichii to raclette cheese induces biochemical changes and enhances flavor development, J. Agric. Food Chem., 2005, 53, 10, 4157-4165, https://doi.org/10.1021/jf0481195 . [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]

Junkes, Amboni, et al., 2004
Junkes, B.S.; Amboni, R.D.M.C.; Yunes, R.A.; Heinzen, V.E.F., Application of the semi-empirical topological index in quantitative structure-chromatographic retention relationship (QSRR) studies of aliphatic ketones and aldehydes on stationary phases of different polarity, J. Braz. Chem. Soc., 2004, 15, 2, 183-189, https://doi.org/10.1590/S0103-50532004000200005 . [all data]

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

Junkes, Castanho, et al., 2003
Junkes, B.S.; Castanho, R.D.M.; Amboni, C.; Yunes, R.A.; Heinzen, V.E.F., Semiempirical Topological Index: A Novel Molecular Descriptor for Quantitative Structure-Retention Relationship Studies, Internet Electronic Journal of Molecular Design, 2003, 2, 1, 33-49. [all data]

Machiels, van Ruth, et al., 2003
Machiels, D.; van Ruth, S.M.; Posthumus, M.A.; Istasse, L., Gas chromatography-olfactometry analysis of the volatile compounds of two commercial Irish beef meats, Talanta, 2003, 60, 4, 755-764, https://doi.org/10.1016/S0039-9140(03)00133-4 . [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]

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]

Estrada and Gutierrez, 1999
Estrada, E.; Gutierrez, Y., Modeling chromatographic parameters by a novel graph theoretical sub-structural approach, J. Chromatogr. A, 1999, 858, 2, 187-199, https://doi.org/10.1016/S0021-9673(99)00808-0 . [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]

Zenkevich and Chupalov, 1996
Zenkevich, I.G.; Chupalov, A.A., New Possibilities of Chromato Mass Pectrometric Identification of Organic Compounds Using Increments of Gas Chromatographic Retention Indices of Molecular Structural Fragments, Zh. Org. Khim. (Rus.), 1996, 32, 5, 656-666. [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]

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]

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]

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]

Dowling, Evans, et al., 1990
Dowling, J.J.; Evans, M.B.; Haken, J.K., Gas-liquid chromatography in qualitative analysis. XVIII. Study of the dependence of the retention behavior of polyoxyethylene glycol columns on the nature of the support and phase loading, J. Chromatogr., 1990, 500, 355-365, https://doi.org/10.1016/S0021-9673(00)96077-1 . [all data]

Shimadzu, 2012
Shimadzu, Pharmaceutical Related, Analysis of pharmaceutical residual solvent (observation of separation) (1) - GC, 2012, retrieved from www.shimadzu.ru/applications/Applications_pdf/GC/Pharma/Pharmaceutical residual solvents GC.pdf. [all data]

Moon and Shibamoto, 2010
Moon, J.-K.; Shibamoto, T., Formation of volatile chemicals from thermal degradation of less volatile cofee components: quinic acid, caffeic acid, and chlorogenic acid, J. Agric. Food Chem., 2010, 58, 9, 5465-5470, https://doi.org/10.1021/jf1005148 . [all data]

Karlsson, Birgersson, et al., 2009
Karlsson, M.F.; Birgersson, G.; Prado, A.M.C.; Bosa, F.; Bengtsson, M.; Witzgall, P., Plant Odor Analysis of Potato: Responce of Guatemalan Moth to Above- and Background Potato Volatiles, J. Agric. Food Chem., 2009, 57, 13, 5903-5909, https://doi.org/10.1021/jf803730h . [all data]

Prososki, Etzel, et al., 2007
Prososki, R.A.; Etzel, M.R.; Rankin, S.A., Solvent type affects the number, distribution, and relative quantities of volatile compounds found in sweet whey powder, J. Dairy Sci., 2007, 90, 2, 523-531, https://doi.org/10.3168/jds.S0022-0302(07)71535-7 . [all data]

Shimadzu Corporation, 2003
Shimadzu Corporation, Analysis of pharmaceutical residual solvent (observation of separation), 2003, retrieved from http://www.shimadzu.com.br/analitica/aplicacoes/book/pharm69.pdf. [all data]

Tanaka, Yamauchi, et al., 2003
Tanaka, T.; Yamauchi, T.; Katsumata, R.; Kiuchi, K., Comparison of volatile components in commercial Itohiki-Natto by solid phase microextraction and gas chromatography, Nippon Shokuhin Kagaku Kogaku Kaishi, 2003, 50, 6, 278-285, https://doi.org/10.3136/nskkk.50.278 . [all data]

Horiuchi, Umano, et al., 1998
Horiuchi, M.; Umano, K.; Shibamoto, T., Analysis of volatile compounds formed from fish oil heated with cysteine and trimethylamine oxide, J. Agric. Food Chem., 1998, 46, 12, 5232-5237, https://doi.org/10.1021/jf980482m . [all data]

Umano, Hagi, et al., 1995
Umano, K.; Hagi, Y.; Nakahara, K.; Shyoji, A.; Shibamoto, T., Volatile chemicals formed in the headspace of a heated D-glucose/L-cysteine Maillard model system, J. Agric. Food Chem., 1995, 43, 8, 2212-2218, https://doi.org/10.1021/jf00056a046 . [all data]

De Llano D.G., Ramos M., et al., 1990
De Llano D.G.; Ramos M.; Polo C.; Sanz J.; Martinez-Castro I., Evolution of the volatile components of an artisanal blue cheese during ripening, J. Dairy Sci., 1990, 73, 7, 1676-1683, https://doi.org/10.3168/jds.S0022-0302(90)78842-X . [all data]

Buttery, Kamm, et al., 1984
Buttery, R.G.; Kamm, J.A.; Ling, L.C., Volatile components of red clover leaves, flowers, and seed pods: possible insect attractants, J. Agric. Food Chem., 1984, 32, 2, 254-256, https://doi.org/10.1021/jf00122a019 . [all data]

Seifert and King, 1982
Seifert, R.M.; King, A.D., Jr., Identification of some volatile constituents of Aspergillus clavatus, J. Agric. Food Chem., 1982, 30, 4, 786-790, https://doi.org/10.1021/jf00112a044 . [all data]

Bardakci, Demirci, et al., 2012
Bardakci, H.; Demirci, B.; Yesilada, E.; Kirmizibekmez, H.; Naser, K.H.C., Chemical composition of the essential oil of the subterranean parts of Valeriana alliariifolia, Rec. Nat. Prod., 2012, 6, 1, 89-92. [all data]

Muresan, Eillebrecht, et al., 2000
Muresan, S.; Eillebrecht, M.A.J.L.; de Rijk, T.C.; de Jonge, H.G.; Leguijt, T.; Nijhuis, H.H., Aroma profile development of intermediate chocolate products. I. Volatile constituents of block-milk, Food Chem., 2000, 68, 2, 167-174, https://doi.org/10.1016/S0308-8146(99)00171-5 . [all data]

Peng, Yang, et al., 1991
Peng, C.T.; Yang, Z.C.; Ding, S.F., Prediction of rentention idexes. II. Structure-retention index relationship on polar columns, J. Chromatogr., 1991, 586, 1, 85-112, https://doi.org/10.1016/0021-9673(91)80028-F . [all data]

MacLeod and Pieris, 1981
MacLeod, A.J.; Pieris, N.M., Volatile flavor components of beli fruit (Aegle marmelos) and a processed product, J. Agric. Food Chem., 1981, 29, 6, 1262-1264, https://doi.org/10.1021/jf00108a040 . [all data]

Notes

Go To: Top, Gas phase ion energetics data, Gas Chromatography, References

Symbols used in this document:

AE Appearance energy

IE (evaluated) Recommended ionization energy

Δ_rG° Free energy of reaction at standard conditions

Δ_rH° Enthalpy of reaction at standard conditions
Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
The National Institute of Standards and Technology (NIST) uses its best efforts to deliver a high quality copy of the Database and to verify that the data contained therein have been selected on the basis of sound scientific judgment. However, NIST makes no warranties to that effect, and NIST shall not be liable for any damage that may result from errors or omissions in the Database.
Customer support for NIST Standard Reference Data products.

AE	Appearance energy
IE (evaluated)	Recommended ionization energy
Δ_rG°	Free energy of reaction at standard conditions
Δ_rH°	Enthalpy of reaction at standard conditions