Phenol, 3-methyl-
- Formula: C7H8O
- Molecular weight: 108.1378
- IUPAC Standard InChIKey: RLSSMJSEOOYNOY-UHFFFAOYSA-N
- CAS Registry Number: 108-39-4
- 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: m-Cresol; m-Cresole; m-Cresylic acid; m-Hydroxytoluene; m-Kresol; m-Methylphenol; m-Oxytoluene; m-Toluol; 1-Hydroxy-3-methylbenzene; 3-Cresol; 3-Hydroxytoluene; 3-Methylphenol; meta-Cresol; Cresol, meta; Rcra waste number U052; Cresol,m-; NSC 8768
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IR Spectrum
Go To: Top, Mass spectrum (electron ionization), UV/Visible spectrum, Gas Chromatography, References, Notes
Data compiled by: Coblentz Society, Inc.
Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director
Mass spectrum (electron ionization)
Go To: Top, IR Spectrum, UV/Visible spectrum, Gas Chromatography, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director
Spectrum
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Additional Data
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Due to licensing restrictions, this spectrum cannot be downloaded.
Owner | NIST Mass Spectrometry Data Center Collection (C) 2014 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
---|---|
Origin | NIST Mass Spectrometry Data Center, 1998. |
NIST MS number | 291279 |
UV/Visible spectrum
Go To: Top, IR Spectrum, Mass spectrum (electron ionization), Gas Chromatography, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Spectrum
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Additional Data
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Source | Lang (editor), 1961 |
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Owner | INEP CP RAS, NIST OSRD Collection (C) 2007 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
Origin | INSTITUTE OF ENERGY PROBLEMS OF CHEMICAL PHYSICS, RAS |
Source reference | RAS UV No. 19729 |
Instrument | Beckman DU |
Melting point | 10.9 |
Gas Chromatography
Go To: Top, IR Spectrum, Mass spectrum (electron ionization), UV/Visible spectrum, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director
Kovats' RI, non-polar column, isothermal
Column type | Active phase | Temperature (C) | I | Reference | Comment |
---|---|---|---|---|---|
Capillary | SE-30 | 100. | 1045. | Berezkin, Popova, et al., 1997 | 30. m/0.25 mm/0.5 μm, He |
Capillary | OV-1 | 150. | 1059. | Zhang, Chen, et al., 1997 | 25. m/0.2 mm/0.33 μm, N2 |
Capillary | OV-1 | 150. | 1052. | Zhang, Chen, et al., 1997 | 25. m/0.2 mm/0.33 μm, N2 |
Capillary | OV-1 | 150. | 1059. | Zhang, Chen, et al., 1997 | 25. m/0.2 mm/0.33 μm, N2 |
Capillary | OV-1 | 160. | 1036. | Zhang, Chen, et al., 1997 | 25. m/0.2 mm/0.33 μm, N2 |
Capillary | OV-101 | 150. | 1028.9 | Cha and Lee, 1994 | Column length: 20. m; Column diameter: 0.5 mm |
Capillary | OV-101 | 180. | 1034.5 | Cha and Lee, 1994 | Column length: 20. m; Column diameter: 0.5 mm |
Capillary | HP-1 | 60. | 1037. | Zhang, Li, et al., 1992 | N2; Column length: 25. m; Column diameter: 0.20 mm |
Capillary | HP-1 | 60. | 1037. | Zhang, Li, et al., 1992 | N2; Column length: 25. m; Column diameter: 0.20 mm |
Capillary | HP-1 | 100. | 1050. | Zhang, Li, et al., 1992 | N2; Column length: 25. m; Column diameter: 0.20 mm |
Capillary | HP-1 | 100. | 1050. | Zhang, Li, et al., 1992 | N2; Column length: 25. m; Column diameter: 0.20 mm |
Capillary | PS-255 | 150. | 1050. | Engewald, Billing, et al., 1988 | 50. m/0.30 mm/0.25 μm |
Packed | SE-30 | 150. | 1065. | Tiess, 1984 | Ar, Gas Chrom Q (80-100 mesh); Column length: 3. m |
Packed | SE-30 | 220. | 1075. | Sellier, Tersac, et al., 1981 | Column length: 2. m |
Kovats' RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | HP-5MS | 1105. | Kartal N., Sokmen M., et al., 2007 | 30. m/0.25 mm/0.25 μm, He, 50. C @ 3. min, 3. K/min; Tend: 240. C |
Capillary | CBP-1 | 1063. | Shimadzu, 2003 | 25. m/0.2 mm/0.25 μm, He, 50. C @ 5. min, 4. K/min; Tend: 200. C |
Kovats' RI, non-polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Packed | SE-30 | 1065. | Grzybowski, Lamparczyk, et al., 1980 | Chromosorb W HMDS (80-100 mesh); Column length: 2.9 m; Program: not specified |
Kovats' RI, polar column, isothermal
Column type | Active phase | Temperature (C) | I | Reference | Comment |
---|---|---|---|---|---|
Packed | Carbowax 20M | 220. | 2093. | Sellier, Tersac, et al., 1981 | Column length: 2. m |
Packed | PEG-2000 | 200. | 2085. | Anderson, Jurel, et al., 1973 | He, Celite 545 (44-60 mesh); Column length: 3. m |
Kovats' RI, polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | CBP-20 | 2100. | Shimadzu, 2003 | 25. m/0.2 mm/0.25 μm, He, 50. C @ 5. min, 4. K/min; Tend: 200. C |
Van Den Dool and Kratz RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | DB-5 | 1077. | Baccouri, Ben Temime, et al., 2007 | 30. m/0.25 mm/0.25 μm, He, 3. K/min; Tstart: 60. C; Tend: 240. C |
Capillary | DB-5 | 1084. | Högnadóttir and Rouseff, 2003 | 30. m/0.32 mm/0.5 μm, 7. K/min, 265. C @ 5. min; Tstart: 40. C |
Capillary | DB-1 | 1053.1 | Sun and Stremple, 2003 | 30. m/0.25 mm/0.25 μm, He, 3. K/min; Tstart: 40. C; Tend: 325. C |
Capillary | OV-1 | 1051.7 | Gautzsch and Zinn, 1996 | 8. K/min; Tstart: 35. C; Tend: 300. C |
Capillary | DB-1 | 1056. | Coen, Engel, et al., 1995 | 30. m/0.32 mm/0.25 μm, N2, 3. K/min; Tstart: 150. C; Tend: 280. C |
Capillary | DB-1 | 1054. | Coen, Engel, et al., 1995 | 30. m/0.32 mm/0.25 μm, N2, 3. K/min; Tstart: 150. C; Tend: 280. C |
Capillary | DB-1 | 1065. | Gerbino and Castello, 1995 | 30. m/0.235 mm/0.25 μm, N2, 50. C @ 0. min, 10. K/min |
Capillary | DB-1 | 1068. | Gerbino and Castello, 1995 | 30. m/0.235 mm/0.25 μm, N2, 50. C @ 0. min, 5. K/min |
Capillary | DB-1 | 1051. | Kaiser and Siegl, 1994 | 60. m/0.32 mm/1. μm, -50. C @ 4. min, 6. K/min; Tend: 180. C |
Packed | SE-30 | 1064. | Peng, Ding, et al., 1988 | He, Supelcoport and Chromosorb, 40. C @ 4. min, 10. K/min, 250. C @ 60. min; Column length: 3.05 m |
Capillary | DB-5 | 1077. | Rostad and Pereira, 1986 | 30. m/0.26 mm/0.25 μm, He, 50. C @ 4. min, 6. K/min, 300. C @ 20. min |
Van Den Dool and Kratz RI, non-polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | DB-5 | 1070. | Escudero, Campo, et al., 2007 | Program: not specified |
Capillary | LM-5 | 1073.9 | Ré-Poppi and Santiago-Silva, 2005 | 30. m/0.25 mm/0.25 μm, He; Program: 60C(2min) => 15C/min => 180C => 5C/min => 280C (10min) |
Capillary | 5 % Phenyl methyl siloxane | 1075. | Yasuhara, Shiraishi, et al., 1997 | 25. m/0.31 mm/0.52 μm, He; Program: 50C(2min) => (20C/min) => 120C => (7C/min) => 310C(10min) |
Capillary | Methyl Silicone | 1064. | Peng, Yang, et al., 1991 | Program: not specified |
Van Den Dool and Kratz RI, polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | Stabilwax | 2129. | Fang and Qian, 2005 | 30. m/0.32 mm/1. μm, N2, 40. C @ 2. min, 4. K/min, 230. C @ 10. min |
Capillary | DB-Wax | 2091. | Högnadóttir and Rouseff, 2003 | 30. m/0.32 mm/0.5 μm, 7. K/min, 240. C @ 5. min; Tstart: 40. C |
Capillary | Supelcowax-10 | 2097. | 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 | DB-Wax | 2109. | Claudela, Dirningera, et al., 2002 | 60. m/0.32 mm/0.5 μm, He, 2.7 K/min, 235. C @ 30. min; Tstart: 67. C |
Capillary | Supelcowax-10 | 2097. | 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 | DB-Wax | 2067. | Escudero and Etiévant, 1999 | 30. m/0.32 mm/0.5 μm, H2, 5. K/min; Tstart: 67. C; Tend: 240. C |
Capillary | DB-Wax | 2081. | Coen, Engel, et al., 1995 | 30. m/0.32 mm/0.5 μm, He, 2. K/min; Tstart: 50. C; Tend: 230. C |
Capillary | DB-Wax | 2083. | Coen, Engel, et al., 1995 | 30. m/0.32 mm/0.5 μm, He, 2. K/min; Tstart: 50. C; Tend: 230. C |
Capillary | DB-Wax | 2109.09 | Gerbino and Castello, 1995 | 30. m/0.235 mm/0.5 μm, N2, 10. K/min; Tstart: 100. C |
Capillary | DB-Wax | 2102.63 | Gerbino and Castello, 1995 | 30. m/0.235 mm/0.5 μm, N2, 5. K/min; Tstart: 100. C |
Capillary | DB-Wax | 2109.90 | Gerbino and Castello, 1995 | 30. m/0.235 mm/0.5 μm, N2, 10. K/min; Tstart: 50. C |
Capillary | DB-Wax | 2100.00 | Gerbino and Castello, 1995 | 30. m/0.235 mm/0.5 μm, N2, 5. K/min; Tstart: 50. C |
Capillary | DB-Wax | 2099. | Shiratsuchi, Shimoda, et al., 1994 | 60. m/0.25 mm/0.25 μm, He, 2. K/min, 230. C @ 60. min; Tstart: 50. C |
Capillary | DB-Wax | 2081. | Umano, Hagi, et al., 1992 | He, 40. C @ 10. min, 2. K/min; Column length: 30. m; Column diameter: 0.25 mm; Tend: 200. C |
Van Den Dool and Kratz RI, polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | DB-Wax | 2129. | Escudero, Campo, et al., 2007 | 30. m/0.32 mm/0.5 μm, H2; Program: 40C(5min) => 4C/min => 100C6C/min => 136C => 3C/min => 220C (10min) |
Capillary | DB-Wax | 2140. | Campo, Ferreira, et al., 2005 | 30. m/0.32 mm/0.5 μm, H2; Program: 40C(5min) => 4C/min => 100C => 6C/min => 200C |
Capillary | DB-Wax | 2068. | Cantergiani, Brevard, et al., 2001 | 30. m/0.25 mm/0.25 μm; Program: 20C(30s) => fast => 60C => 4C/min => 220C (20min) |
Normal alkane RI, non-polar column, isothermal
Column type | Active phase | Temperature (C) | I | Reference | Comment |
---|---|---|---|---|---|
Capillary | DB-1 | 80. | 1062. | Shimadzu, 2003, 2 | 60. m/0.32 mm/1. μm, He |
Normal alkane RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | TR-1 | 1057. | Gruzdev, Kuzivanov, et al., 2012 | 30. m/0.32 mm/0.25 μm, Helium, 5. K/min; Tstart: 50. C; Tend: 300. C |
Capillary | TR-1 | 1057. | Gruzdev, Kuzivanov, et al., 2012, 2 | 30. m/0.32 mm/0.25 μm, Helium, 5. K/min; Tstart: 50. C; Tend: 300. C |
Capillary | HP-5 MS | 1083. | Kotowska, Zalikowski, et al., 2012 | 30. m/0.25 mm/0.25 μm, Helium, 35. C @ 5. min, 3. K/min, 300. C @ 15. min |
Capillary | VF-5 MS | 1074. | Souza, Re-Poppi, et al., 2012 | 30. m/0.25 mm/0.25 μm, Helium, 60. C @ 1. min, 6. K/min, 280. C @ 3. min |
Capillary | DB-5 | 1100. | Czerny, Brueckner, et al., 2011 | 30. m/0.32 mm/0.25 μm, Helium, 40. C @ 2. min, 8. K/min, 250. C @ 5. min |
Capillary | DB-5 MS | 1093. | Majcher, Lawrowski, et al., 2010 | 25. m/0.20 mm/0.33 μm, Helium, 40. C @ 1. min, 10. K/min; Tend: 250. C |
Capillary | ZB-5 | 1081. | Harrison and Priest, 2009 | 30. m/0.25 mm/0.25 μm, Helium, 40. C @ 1. min, 6. K/min, 280. C @ 9. min |
Capillary | DB-5 | 1075. | Fadel, Mageed, et al., 2006 | He, 60. C @ 5. min, 4. K/min; Column length: 60. m; Column diameter: 0.32 mm; Tend: 250. C |
Capillary | DB-1 | 1051. | Lee, Lee, et al., 2005 | 60. m/0.32 mm/0.25 μm, He, 35. C @ 4. min, 2. K/min, 230. C @ 25. min |
Capillary | DB-1 | 1055. | Lee, Lee, et al., 2005 | 60. m/0.32 mm/0.25 μm, He, 35. C @ 4. min, 2. K/min, 230. C @ 25. min |
Capillary | DB-1 | 1055. | Velasco-Negueruela, Pérez-Alonso, et al., 2005 | 50. m/0.25 mm/0.25 μm, N2, 4. K/min; Tstart: 90. C; Tend: 240. C |
Capillary | HP-5 | 1075. | Shafi, Nambiar, et al., 2004 | 25. m/0.2 mm/0.5 μm, N2, 3. K/min; Tstart: 30. C; Tend: 280. C |
Capillary | Cross-Linked Methylsilicone | 1055. | Velasco-Negueruela, Pérez-Alonso, et al., 2003 | 25. m/0.2 mm/0.33 μm, He, 4. K/min; Tstart: 70. C; Tend: 250. C |
Capillary | SPB-5 | 1075. | Pino, Marbot, et al., 2002 | 30. m/0.25 mm/0.25 μm, Helium, 60. C @ 2. min, 4. K/min, 250. C @ 20. min |
Capillary | OV-101 | 1048. | Friedrich, Acree, et al., 2001 | 6. K/min; Column length: 15. m; Column diameter: 0.32 mm; Tstart: 35. C; Tend: 250. C |
Capillary | AT-1 | 1090. | Kelling, 2001 | He, 50. C @ 2. min, 10. K/min; Tend: 300. C |
Capillary | SPB-5 | 1071. | Poligné, Collignan, et al., 2001 | 60. m/0.32 mm/1. μm, He, 3. K/min; Tstart: 40. C; Tend: 200. C |
Capillary | BP-1 | 1047. | Health Safety Executive, 2000 | 50. m/0.22 mm/0.75 μm, He, 5. K/min; Tstart: 50. C; Tend: 200. C |
Capillary | HP-1 | 1048. | Ong, Acree, et al., 1998 | 4. K/min; Column length: 25. m; Column diameter: 0.32 mm; Tstart: 35. C; Tend: 250. C |
Capillary | SE-54 | 1091. | Kollmannsberger, Nitz, et al., 1992 | 30. m/0.25 mm/0.25 μm, Hydrogen, 60. C @ 5. min, 2. K/min, 250. C @ 2. min |
Capillary | Ultra-1 | 1044. | Okumura, 1991 | 25. m/0.32 mm/0.25 μm, He, 3. K/min; Tstart: 80. C; Tend: 260. C |
Normal alkane RI, non-polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | HP-5 MS | 1075. | Kotowska, Zalikowski, et al., 2012 | 30. m/0.25 mm/0.25 μm, Helium; Program: not specified |
Capillary | VF-5 MS | 1073. | Souza, Re-Poppi, et al., 2012 | 30. m/0.25 mm/0.25 μm, Helium; Program: not specified |
Capillary | Siloxane, 5 % Ph | 1066. | VOC BinBase, 2012 | Program: not specified |
Capillary | Polydimethyl siloxane, 5 % phenyl | 1066. | Skogerson, Wohlgemuth, et al., 2011 | Program: not specified |
Capillary | DB-5 | 1070. | San-Juan, Petka, et al., 2010 | 30. m/0.32 mm/0.50 μm, Hydrogen; Program: 40 0C (5 min) 4 0C/min -> 100 0C 6 0C/min -> 220 0C (20 min) |
Capillary | DB-1 | 1048. | Mendes, Trindade, et al., 2009 | 30. m/0.25 mm/0.25 μm, Hydrogen; Program: 45 0C 3 0C/min -> 175 0C 15 0C/min -> 300 0C (10 min) |
Capillary | ZB-5 | 1086. | de Simon, Estruelas, et al., 2009 | 30. m/0.25 mm/0.25 μm, Helium; Program: 45 0C 3 0C/min -> 230 0C (10 min) 10 0C/min -> 270 0C (21 min) |
Capillary | Nonpolar | 1068. | Staples and Zeiger, 2008 | Program: not specified |
Capillary | Nonpolar | 1068. | Staples and Zeiger, 2008 | Program: not specified |
Capillary | Nonpolar | 1075. | Staples and Zeiger, 2008 | Program: not specified |
Capillary | HP-5 MS | 1067. | Pyun and Shin, 2006 | 30. m/0.25 mm/0.25 μm; Program: 40 0C (3 min) 2 0C/min -> 150 0C 20 0C/min -> 220 0C (5 min) |
Capillary | RTX-5 | 1065. | Ádámová, Orinák, et al., 2005 | 30. m/0.25 mm/0.25 μm, N2; Program: not specified |
Capillary | DB-5 | 1079. | Steinhaus and Schieberle, 2005 | 30. m/0.32 mm/0.25 μm, He; Program: 40 0C (2 min) 6 K/min -> 190 0C 12 K/min -> 240 0C |
Capillary | DB-1 | 1052. | Peng, 1996 | 30. m/0.53 mm/1.5 μm; Program: 40 0C (4 min) 8 0C/min -> 200 0C (1 min) 5 0C/min -> 280 0C (20 min) |
Capillary | DB-1 | 1057. | Ciccioli, Cecinato, et al., 1994 | 60. m/0.32 mm/0.25 μm; Program: not specified |
Capillary | SE-30 | 1065. | Peterson, 1992 | Program: not specified |
Capillary | Polydimethyl siloxane, unknown content of Ph-groups | 1073. | Geldon, 1989 | Program: not specified |
Capillary | Polydimethyl siloxane, unknown content of Ph-groups | 1077. | Geldon, 1989 | Program: not specified |
Capillary | OV-1, SE-30, Methyl silicone, SP-2100, OV-101, DB-1, etc. | 1065. | Waggott and Davies, 1984 | Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified |
Normal alkane RI, polar column, isothermal
Column type | Active phase | Temperature (C) | I | Reference | Comment |
---|---|---|---|---|---|
Capillary | DB-Wax | 160. | 2135. | Shimadzu, 2003, 2 | 50. m/0.32 mm/1. μm, He |
Normal alkane RI, polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | DB-FFAP | 2077. | Czerny, Brueckner, et al., 2011 | 30. m/0.32 mm/0.25 μm, Helium, 40. C @ 2. min, 8. K/min, 230. C @ 5. min |
Capillary | AT-Wax | 2103. | Kiss, Csoka, et al., 2011 | 60. m/0.25 mm/0.25 μm, Helium, 4. K/min; Tstart: 60. C; Tend: 280. C |
Capillary | FFAP | 2071. | Piyachaiseth, Jirapakkul, et al., 2011 | 60. m/0.25 mm/0.25 μm, Helium, 45. C @ 1. min, 5. K/min, 220. C @ 5. min |
Capillary | Innowax | 2111. | Kaypak and Avsar, 2008 | 30. m/0.25 mm/0.25 μm, 40. C @ 5. min, 10. K/min, 200. C @ 15. min |
Capillary | Supelcowax-10 | 2080. | Vichi, Romero, et al., 2008 | 30. m/0.25 mm/0.25 μm, Helium, 50. C @ 10. min, 8. K/min; Tend: 240. C |
Capillary | DB-Wax | 2107. | Choi, 2004 | 60. m/0.25 mm/0.25 μm, N2, 70. C @ 2. min, 2. K/min, 230. C @ 20. min |
Capillary | DB-Wax | 2115. | Culleré, Escudero, et al., 2004 | 30. m/0.32 mm/0.5 μm, H2, 40. C @ 5. min, 4. K/min; Tend: 200. C |
Capillary | DB-Wax | 2112. | López, Ezpeleta, et al., 2004 | 60. m/0.25 mm/0.25 μm, He, 40. C @ 5. min, 3. K/min; Tend: 220. C |
Capillary | TC-Wax | 2090. | Miyazawa and Okuno, 2003 | He, 4. K/min, 250. C @ 30. min; Column length: 60. m; Column diameter: 0.25 mm; Tstart: 80. C |
Capillary | DB-Wax | 2114. | Aznar, López, et al., 2001 | 30. m/0.32 mm/0.5 μm, H2, 40. C @ 5. min, 4. K/min, 200. C @ 60. min |
Capillary | DB-Wax | 2116. | Ferreira, Aznar, et al., 2001 | 30. m/0.32 mm/0.5 μm, H2, 40. C @ 5. min, 4. K/min, 200. C @ 60. min |
Capillary | DB-Wax | 2065. | Iwatsuki, Mizota, et al., 1999 | 4. K/min; Column length: 30. m; Column diameter: 0.53 mm; Tstart: 60. C; Tend: 210. C |
Capillary | Carbowax 20M | 2088. | Lopez, Ferreira, et al., 1999 | 60. m/0.32 mm/0.5 μm, He, 40. C @ 5. min, 2. K/min; Tend: 190. C |
Capillary | Supelcowax | 2060. | Näf and Velluz, 1998 | He, 5. K/min; Column length: 60. m; Column diameter: 0.25 mm; Tstart: 80. C; Tend: 240. C |
Capillary | HP-Innowax | 2069. | Ong, Acree, et al., 1998 | 4. K/min; Column length: 25. m; Column diameter: 0.32 mm; Tstart: 35. C; Tend: 250. C |
Capillary | TC-Wax | 2106. | Shuichi, Masazumi, et al., 1996 | 80. C @ 5. min, 3. K/min; Column length: 60. m; Column diameter: 0.25 mm; Tend: 240. C |
Capillary | Carbowax 20M | 2068. | Kollmannsberger, Nitz, et al., 1992 | 45. m/0.32 mm/1.0 μm, Hydrogen, 60. C @ 5. min, 2. K/min; Tend: 200. C |
Capillary | Carbowax 20M | 2090. | 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
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | DB-Wax | 2091. | San-Juan, Petka, et al., 2010 | 30. m/0.32 mm/0.50 μm, Hydrogen; Program: 40 0C (5 min) 4 0C/min -> 100 0C 6 0C/min -> 220 0C (20 min) |
Capillary | Supelcowax-10 | 2064. | de Simon, Estruelas, et al., 2009 | 30. m/0.25 mm/0.25 μm, Helium; Program: 45 0C 3 0C/min -> 230 0C (10 min) 10 0C/min -> 270 0C (21 min) |
Capillary | DB-Wax | 2080. | Lee, Lee, et al., 2005 | 60. m/0.32 mm/0.25 μm, He; Program: 30C(4min) => 2C/min => 170C(25min) => 10C/min => 210C(10min) |
Capillary | DB-Wax | 2085. | Lee, Lee, et al., 2005 | 60. m/0.32 mm/0.25 μm, He; Program: 30C(4min) => 2C/min => 170C(25min) => 10C/min => 210C(10min) |
Capillary | DB-Wax | 2083. | Steinhaus and Schieberle, 2005 | 30. m/0.32 mm/0.25 μm, He; Program: 40 0C (2 min) 6 K/min -> 190 0C 12 K/min -> 240 0C |
Capillary | DB-Wax | 2108. | Escudero, Gogorza, et al., 2004 | Program: not specified |
Capillary | DB-Wax | 2059. | Peng, 1996 | 30. m/0.53 mm/1.0 μm; Program: 40 0C (4 min) 4 0C/min -> 200 0C (20 min) |
Capillary | DB-Wax | 2059. | Peng, Yang, et al., 1991, 2 | Program: not specified |
Lee's RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | HP-5 | 175.8 | Wang, Hou, et al., 2007 | 30. m/0.30 mm/0.25 μm, Helium, 50. C @ 5. min, 5. K/min, 200. C @ 15. min |
Capillary | HP-5 | 176. | Shao, Wang, et al., 2006 | 30. m/0.3 mm/0.25 μm, He, 50. C @ 5. min, 5. K/min, 200. C @ 15. min |
Capillary | DB-5MS | 175.79 | Chen, Keeran, et al., 2002 | 30. m/0.25 mm/0.5 μm, 40. C @ 1. min, 10. K/min; Tend: 310. C |
Capillary | DB-5MS | 178.68 | Chen, Keeran, et al., 2002 | 30. m/0.25 mm/0.5 μm, 40. C @ 1. min, 4. K/min; Tend: 310. C |
Capillary | DB-5 | 175.4 | Donnelly, Abdel-Hamid, et al., 1993 | 30. m/0.32 mm/0.25 μm, He, 40. C @ 3. min, 8. K/min, 285. C @ 29.5 min |
Capillary | DB-5 | 177.63 | Rostad and Pereira, 1986 | 30. m/0.26 mm/0.25 μm, He, 50. C @ 4. min, 6. K/min, 300. C @ 20. min |
Lee's RI, non-polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | DB-5 | 171. | Fuentes, Font, et al., 2007 | Column length: 60. m; Program: not specified |
Capillary | DB-5 | 175.8 | Fuentes, Font, et al., 2007 | Column length: 60. m; Program: not specified |
Capillary | Methyl Silicone | 177.63 | Eckel, Ross, et al., 1993 | Program: not specified |
Capillary | Methyl Silicone | 177.95 | Eckel, Ross, et al., 1993 | Program: not specified |
References
Go To: Top, IR Spectrum, Mass spectrum (electron ionization), UV/Visible spectrum, Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Lang (editor), 1961
Lang (editor), L.,
Absorption Spectra in the Ultraviolet and Visible Region, 1961, 2, 141. [all data]
Berezkin, Popova, et al., 1997
Berezkin, V.G.; Popova, T.P.; Shiryayeva, V.Ye.; Nomura, N.,
Gas-chromatographic separation of monoalkylphenols on polar and non-polar phases by means of capillary chromatography,
Pet. Chem. USSR (Engl. Transl.), 1997, 37, 2, 161-167. [all data]
Zhang, Chen, et al., 1997
Zhang, M.; Chen, B.; Shen, S.; Chen, S.,
Compositional studies of high-temperature coal tar by g.c.-FT-i.r. analysis of middle oil fractions,
Fuel, 1997, 76, 5, 415-423, https://doi.org/10.1016/S0016-2361(97)85518-4
. [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]
Zhang, Li, et al., 1992
Zhang, M.J.; Li, S.D.; Chen, B.J.,
Compositional studies of high-temperature coal tar by GC/FTIR analysis of light oil fractions,
Chromatographia, 1992, 33, 3/4, 138-146, https://doi.org/10.1007/BF02275894
. [all data]
Engewald, Billing, et al., 1988
Engewald, W.; Billing, U.; Topalova, I.; Petsev, N.,
Structure-retention correlations of alkylphenols in gas-liquid and gas-solid chromatography,
J. Chromatogr., 1988, 446, 71-77, https://doi.org/10.1016/S0021-9673(00)94419-4
. [all data]
Tiess, 1984
Tiess, D.,
Gaschromatographische Retentionsindices von 125 leicht- bis mittelflüchtigen organischen Substanzen toxikologisch-analytischer Relevanz auf SE-30,
Wiss. Z. Wilhelm-Pieck-Univ. Rostock Math. Naturwiss. Reihe, 1984, 33, 6-9. [all data]
Sellier, Tersac, et al., 1981
Sellier, F.; Tersac, G.; Guiochon, G.,
Étude de la polarité d'un poly(oxy aryl sulfonyl arylène) utilisé comme phase stationnaire en chromatographie gaz-liquide,
J. Chromatogr., 1981, 219, 2, 213-224, https://doi.org/10.1016/S0021-9673(00)87931-5
. [all data]
Kartal N., Sokmen M., et al., 2007
Kartal N.; Sokmen M.; Tepe B.; Daferera D.; Polissiou M.; Sokmen A.,
Investigation of the antioxidant properties of Ferula orientalis L. using a suitable extraction procedure,
Food Chem., 2007, 100, 2, 584-589, https://doi.org/10.1016/j.foodchem.2005.09.084
. [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]
Grzybowski, Lamparczyk, et al., 1980
Grzybowski, J.; Lamparczyk, H.; Nasal, A.; Radecki, A.,
Relationship between the retention indices of phenols on polar and non-polar stationary phases,
J. Chromatogr., 1980, 196, 2, 217-223, https://doi.org/10.1016/S0021-9673(00)80441-0
. [all data]
Anderson, Jurel, et al., 1973
Anderson, A.; Jurel, S.; Shymanska, M.; Golender, L.,
Gas-liquid chromatography of some aliphatic and heterocyclic mono- and pollyfunctional amines. VII. Retention indices of amines in some polar and unpolar stationary phases,
Latv. PSR Zinat. Akad. Vestis Kim. Ser., 1973, 1, 51-63. [all data]
Baccouri, Ben Temime, et al., 2007
Baccouri, B.; Ben Temime, S.; Campeol, E.; Cioni, P.L.; Daoud, D.; Zarrouk, M.,
Application of solid-phase microextraction to the analysis of volatile compounds in virgin olive oils from five new cultivars,
Food Chem., 2007, 102, 3, 850-856, https://doi.org/10.1016/j.foodchem.2006.06.012
. [all data]
Högnadóttir and Rouseff, 2003
Högnadóttir, Á.; Rouseff, R.L.,
Identification of aroma active compounds in organce essence oil using gas chromatography-olfactometry and gas chromatography-mass spectrometry,
J. Chromatogr. A, 2003, 998, 1-2, 201-211, https://doi.org/10.1016/S0021-9673(03)00524-7
. [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]
Gautzsch and Zinn, 1996
Gautzsch, R.; Zinn, P.,
Use of incremental models to estimate the retention indexes of aromatic compounds,
Chromatographia, 1996, 43, 3/4, 163-176, https://doi.org/10.1007/BF02292946
. [all data]
Coen, Engel, et al., 1995
Coen, M.; Engel, R.; Nahrstedt, A.,
Chavicol β-D-glucoside, a phenylpropanoid heteroside, benzyl-β-D-glucoside and glycosidically bound volatiles from subspecies of Cedronella canariensis,
Phytochemistry, 1995, 40, 1, 149-155, https://doi.org/10.1016/0031-9422(95)00241-X
. [all data]
Gerbino and Castello, 1995
Gerbino, T.C.; Castello, G.,
Prediction of programmed temperature retention indices on capillary columns of different polarities,
J. Chromatogr. A, 1995, 699, 1-2, 161-171, https://doi.org/10.1016/0021-9673(95)00024-H
. [all data]
Kaiser and Siegl, 1994
Kaiser, E.W.; Siegl, W.O.,
High resolution gas chromatographic determination of the atmospheric reactivity of engine-out hydrocarbon emissions from a spark-ignited engine,
J. Hi. Res. Chromatogr., 1994, 17, 4, 264-270, https://doi.org/10.1002/jhrc.1240170414
. [all data]
Peng, Ding, et al., 1988
Peng, C.T.; Ding, S.F.; Hua, R.L.; Yang, Z.C.,
Prediction of Retention Indexes I. Structure-Retention Index Relationship on Apolar Columns,
J. Chromatogr., 1988, 436, 137-172, https://doi.org/10.1016/S0021-9673(00)94575-8
. [all data]
Rostad and Pereira, 1986
Rostad, C.E.; Pereira, W.E.,
Kovats and Lee retention indices determined by gas chromatography/mass spectrometry for organic compounds of environmental interest,
J. Hi. Res. Chromatogr. Chromatogr. Comm., 1986, 9, 6, 328-334, https://doi.org/10.1002/jhrc.1240090603
. [all data]
Escudero, Campo, et al., 2007
Escudero, A.; Campo, E.; Fariña, L.; Cacho, J.; Ferreira, V.,
Analytical Characterization of the Aroma of Five Premium Red Wines. Insights into the Role of Odor Families and the Concept of Fruitiness of Wines,
J. Agric. Food Chem., 2007, 55, 11, 4501-4510, https://doi.org/10.1021/jf0636418
. [all data]
Ré-Poppi and Santiago-Silva, 2005
Ré-Poppi, N.; Santiago-Silva, M.,
Polycyclic aromatic hydrocarbons and other selected organic compounds in ambient air of Campo Grande City, Brazil,
Atmos. Environ., 2005, 39, 16, 2839-2850, https://doi.org/10.1016/j.atmosenv.2004.10.006
. [all data]
Yasuhara, Shiraishi, et al., 1997
Yasuhara, A.; Shiraishi, H.; Nishikawa, M.; Yamamoto, T.; Uehiro, T.; Nakasugi, O.; Okumura, T.; Kenmotsu, K.; Fukui, H.; Nagase, M.; Ono, Y.; Kawagoshi, Y.; Baba, K.; Noma, Y.,
Determination of organic components in leachates from hazardous waste disposal sites in Japan by gas chromatography-mass spectrometry,
J. Chromatogr. A, 1997, 774, 1-2, 321-332, https://doi.org/10.1016/S0021-9673(97)00078-2
. [all data]
Peng, Yang, et al., 1991
Peng, C.T.; Yang, Z.C.; Maltby, D.,
Prediction of retention indexes. III. Silylated derivatives of polar compounds,
J. Chromatogr., 1991, 586, 1, 113-129, https://doi.org/10.1016/0021-9673(91)80029-G
. [all data]
Fang and Qian, 2005
Fang, Y.; Qian, M.,
Aroma compounds in Oregon Pinot Noir wine determined by aroma extract dilution analysis (AEDA),
Flavour Fragr. J., 2005, 20, 1, 22-29, https://doi.org/10.1002/ffj.1551
. [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]
Claudela, Dirningera, et al., 2002
Claudela, P.; Dirningera, N.; Etievant, P.,
Effects of water on gas chromatographic column efficiency measurements applied to on-column injections of volatile aroma compounds,
J. Sep. Sci., 2002, 25, 5-6, 365-370, https://doi.org/10.1002/1615-9314(20020401)25:5/6<365::AID-JSSC365>3.0.CO;2-Y
. [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]
Escudero and Etiévant, 1999
Escudero, A.; Etiévant, P.,
Effect of antioxidants on the flavor characteristics and the gas chromatography/olfactometry profiles of champagne extracts,
J. Agric. Food Chem., 1999, 47, 8, 3303-3308, https://doi.org/10.1021/jf9813790
. [all data]
Shiratsuchi, Shimoda, et al., 1994
Shiratsuchi, H.; Shimoda, M.; Imayoshi, K.; Noda, K.; Osajima, Y.,
Volatile flavor compounds in spray-dried skim milk powder,
J. Agric. Food Chem., 1994, 42, 4, 984-988, https://doi.org/10.1021/jf00040a028
. [all data]
Umano, Hagi, et al., 1992
Umano, K.; Hagi, Y.; Nakahara, K.; Shoji, A.; Shibamoto, T.,
Volatile constituents of green and ripened pineapple (Aanas comosus [L.] Merr.),
J. Agric. Food Chem., 1992, 40, 4, 599-603, https://doi.org/10.1021/jf00016a014
. [all data]
Campo, Ferreira, et al., 2005
Campo, E.; Ferreira, V.; Escudero, A.; Cacho, J.,
Prediction of the wine sensory properties related to grape variety from dynamic-headspace gas chromatography-olfactometry data,
J. Agric. Food Chem., 2005, 53, 14, 5682-5690, https://doi.org/10.1021/jf047870a
. [all data]
Cantergiani, Brevard, et al., 2001
Cantergiani, E.; Brevard, H.; Krebs, Y.; Feria-Morales, A.; Amadò, R.; Yeretzian, C.,
Characterisation of the aroma of green Mexican coffee and identification of mouldy/earthy defect,
Eur. Food Res. Technol., 2001, 212, 6, 648-657, https://doi.org/10.1007/s002170100305
. [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]
Gruzdev, Kuzivanov, et al., 2012
Gruzdev, I.V.; Kuzivanov, I.M.; Zenkevich, I.G.; Kondratenok, B.M.,
Gas-chromatographic identification of products formed in iodination of methyl phenols by retention indices,
Rus. J. Appl. Chem., 2012, 85, 9, 1355-1365, https://doi.org/10.1134/S1070427212090108
. [all data]
Gruzdev, Kuzivanov, et al., 2012, 2
Gruzdev, I.V.; Kuzivanov, I.M.; Zenkevich, I.G.; Kondratenok, B.M.,
Gas chromatographic determination of methylsubstituted phenols in aqueous media with preliminary iodination,
Rus. J. Anal. Chem., 2012, 68, 2, 175-183. [all data]
Kotowska, Zalikowski, et al., 2012
Kotowska, U.; Zalikowski, M.; Isidorov, V.A.,
HS-SPME/GC-MS analysis of volatile and semi-volatile organic compounds emitted from municipal sewage sludge,
Environ. Monit. Asses., 2012, 184, 5, 2893-2907, https://doi.org/10.1007/s10661-011-2158-8
. [all data]
Souza, Re-Poppi, et al., 2012
Souza, J.B.G.; Re-Poppi, N.; Raposo, J.L.(Jr).,
Characterization of pyroligneous acid used in agriculture by gas chromatography - mass spectrometry (in press),
J. Braz. Chem. Soc., 2012, 00, 00, 1-8. [all data]
Czerny, Brueckner, et al., 2011
Czerny, M.; Brueckner, R.; Kirchoff, E.; Schmitt, R.; Buettner, A.,
The influence of molecular structure on odor qualities and odor detection thresholds of volatile alkylated phenols,
Chem. Senses, 2011, 1-15, retrieved from http://chemie.oxfordjournals.org. [all data]
Majcher, Lawrowski, et al., 2010
Majcher, M.; Lawrowski, P.; Jelen, H.,
Comparison of original and adulterated oscypek cheese based on volatile and sensory profiles,
Acta Sci. Pol. Technol. Aliment., 2010, 9, 3, 265-275. [all data]
Harrison and Priest, 2009
Harrison, B.M.; Priest, F.G.,
Composition of peaks used in the preparation of malt for Scotch Whisky production - influence of geographical source and extraction depth,
J. Agric. Food Chem., 2009, 57, 6, 2385-2391, https://doi.org/10.1021/jf803556y
. [all data]
Fadel, Mageed, et al., 2006
Fadel, H.H.M.; Mageed, M.A.A.; Lotfy, S.N.,
Quality and flavour stability of coffee substitute prepared by extrusion of wheat germ and chicory roots,
Amino Acids, 2006, https://doi.org/10.1007/s007260200008
. [all data]
Lee, Lee, et al., 2005
Lee, K.-G.; Lee, S.-E.; Takeoka, G.R.; Kim, J.-H.; Park, B.-S.,
Antioxidant activity and characterization of volatile constituents of beechwood creosote,
J. Sci. Food Agric., 2005, 85, 9, 1580-1586, https://doi.org/10.1002/jsfa.2156
. [all data]
Velasco-Negueruela, Pérez-Alonso, et al., 2005
Velasco-Negueruela, A.; Pérez-Alonso, M.J.; Pérez de Paz, P.L.; Palá-Paúl, J.; Sanz, J.,
Analysis by gas chromatography-mass spectrometry of the essential oils from the aerial parts of Pimpinella anagodendron Bolle and Pimpinella rupicola Svent., two endemic species to the Canary Islands, Spain,
J. Chromatogr. A, 2005, 1095, 1-2, 180-184, https://doi.org/10.1016/j.chroma.2005.09.074
. [all data]
Shafi, Nambiar, et al., 2004
Shafi, P.M.; Nambiar, M.K.G.; Clery, R.A.; Sarma, Y.R.; Veena, S.S.,
Composition and antifungal activity of the oil of Artemisia nilagirica (Clarke) Pamp,
J. Essent. Oil Res., 2004, 16, 4, 377-379, https://doi.org/10.1080/10412905.2004.9698748
. [all data]
Velasco-Negueruela, Pérez-Alonso, et al., 2003
Velasco-Negueruela, A.; Pérez-Alonso, M.J.; Pérez de Paz, P.L.; Palá-Paúl, J.; Sanz, J.,
Analysis by gas chromatography-mass spectrometry of the essential oil from the aerial parts of Pimpinella junoniae Ceb. Ort., gathered in La Gomera, Canary Islands, Spain,
J. Chromatogr. A, 2003, 1011, 1-2, 241-244, https://doi.org/10.1016/S0021-9673(03)01082-3
. [all data]
Pino, Marbot, et al., 2002
Pino, J.A.; Marbot, R.; Vazquez, C.,
Characterization of volatiles in Loquat fruit (Eriobotrya japonica Lindl.),
Revista CENIC Ciencias Quimicas, 2002, 33, 3, 115-119. [all data]
Friedrich, Acree, et al., 2001
Friedrich, J.E.; Acree, T.E.; Lavin, E.H.,
Selecting standards for gas chromatography - olfactometry,
Am. Chem. Soc. Symp. Ser., 2001, 782, 148-155. [all data]
Kelling, 2001
Kelling, F.J.,
Olfaction in houseflies: morphology and electrophysiology. Chapter 7. Chemical and electrophysiological analysis of components, present in natural products that attract houseflies, Dissertation, University of Groningen, The Netherlands, 2001. [all data]
Poligné, Collignan, et al., 2001
Poligné, I.; Collignan, A.; Trystram, G.,
Characterization of traditional processing of pork meat into boucané,
Meat Sci., 2001, 59, 4, 377-389, https://doi.org/10.1016/S0309-1740(01)00090-0
. [all data]
Health Safety Executive, 2000
Health Safety Executive,
MDHS 96 Volatile organic compounds in air - Laboratory method using pumed solid sorbent tubes, solvent desorption and gas chromatography
in Methods for the Determination of Hazardous Substances (MDHS) guidance, Crown, Colegate, Norwich, 2000, 1-24, retrieved from http://www.hse.gov.uk/pubns/mdhs/pdfs/mdhs96.pdf. [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]
Kollmannsberger, Nitz, et al., 1992
Kollmannsberger, H.; Nitz, S.; Drawert, F.,
UBer die Aromastoffzusammensetzung von Hochdruckextrakten. I. Pfeffer (Piper nigrum, Var. muntok),
Z. Lebensm. Unters Forsch., 1992, 194, 6, 545-551, https://doi.org/10.1007/BF01185481
. [all data]
Okumura, 1991
Okumura, T.,
retention indices of environmental chemicals on methyl silicone capillary column,
Journal of Environmental Chemistry (Japan), 1991, 1, 2, 333-358, https://doi.org/10.5985/jec.1.333
. [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]
Skogerson, Wohlgemuth, et al., 2011
Skogerson, K.; Wohlgemuth, G.; Fiehn, O.,
VocBinNase, 2011, retrieved from http://fiehnlab.ucdavis.edu/projects//VocBinBase. [all data]
San-Juan, Petka, et al., 2010
San-Juan, F.; Petka, J.; Cacho, J.; Ferreira, V.; Escudero, A.,
Producing headspace extracts for the gas chromatography - olphactometric evaluation of wine aroma,
Food Chemistry, 2010, 123, 1, 188-195, https://doi.org/10.1016/j.foodchem.2010.03.129
. [all data]
Mendes, Trindade, et al., 2009
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]
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]
Staples and Zeiger, 2008
Staples, E.; Zeiger, K.,
On-Site Measurements of VOCs and Odors from Metal Casting Operations Using an Ultra-Fast Gas Chromatograph, 2008, retrieved from http://www.estcal.com/TechPapers/Industrial/FoundryOdors.doc. [all data]
Pyun and Shin, 2006
Pyun, M.-S.; Shin, S.,
Antifungal effects of the volatile oils from Allium plants against Trichophyton species and synergism of the oils with ketoconazole,
Phytomedicine, 2006, 13, 6, 394-400, https://doi.org/10.1016/j.phymed.2005.03.011
. [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]
Steinhaus and Schieberle, 2005
Steinhaus, M.; Schieberle, P.,
Characterization of odorants causing an atypical aroma in white pepper powder (Piper nigrum L.) based on quantitative measurements and orthonasal breakthrough thresholds,
J. Agric. Food Chem., 2005, 53, 15, 6049-6055, https://doi.org/10.1021/jf0506030
. [all data]
Peng, 1996
Peng, C.T.,
Gas chromatographic identification of aromatic hydrocarbons
in Liquid Scintillation Spectrometry, Cook, G.T.; Harkness, D.D.; MacKenzie, A.B.; Miller, B.F.; Scott, E.M., ed(s)., 1996, 221-232. [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]
Peterson, 1992
Peterson, K.L.,
Counter-Propagation Neural Networks in the Modeling and Prediction of Kovats Indices for Substituted Phenols,
Anal. Chem., 1992, 64, 4, 379-386, https://doi.org/10.1021/ac00028a011
. [all data]
Geldon, 1989
Geldon, A.L.,
Ground Water Hydrology of the Central Raton Basin, Colorado and New Mexico, US Geological Survey, US Government Printing Office, 1989, 104. [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]
Kiss, Csoka, et al., 2011
Kiss, M.; Csoka, M.; Gyorfi, J.; Korany, K.,
Comparison of the fragrance constituents of Tuber aestivium and Tuber Brumale gathered in Hungary,
J. Appl. Botany Food Quality, 2011, 84, 102-110. [all data]
Piyachaiseth, Jirapakkul, et al., 2011
Piyachaiseth, T.; Jirapakkul, W.; Chaiseri, S.,
Aroma compounds of flash-fried rice,
Kasetsart J. (Nat. Sci.), 2011, 45, 717-729. [all data]
Kaypak and Avsar, 2008
Kaypak, D.; Avsar, Y.K.,
Volatile and odor-active compounds of tuzlu yoghurt,
Asian J. Chem., 2008, 20, 5, 3641-3648. [all data]
Vichi, Romero, et al., 2008
Vichi, S.; Romero, A.; Tous, J.; Tamames, E.L.; Buxaderas, S.,
Determination of volatile phenols in virgin olive oil and their sensory significatnce,
J. Chromatoghr. A., 2008, 1211, 1-2, 1-7, https://doi.org/10.1016/j.chroma.2008.09.067
. [all data]
Choi, 2004
Choi, H.-S.,
Aroma evaluation of an aquatic herb, changpo (Acorus calamus Var. angustatus Bess), by AEDA and SPME,
J. Agric. Food Chem., 2004, 52, 26, 8099-8104, https://doi.org/10.1021/jf040239p
. [all data]
Culleré, Escudero, et al., 2004
Culleré, L.; Escudero, A.; Cacho, J.; Ferreira, V.,
Gas chromatography-olfactometry and chemical quantitative study of the aroma of six premium auality Spanish aged red wines,
J. Agric. Food Chem., 2004, 52, 6, 1653-1660, https://doi.org/10.1021/jf0350820
. [all data]
López, Ezpeleta, et al., 2004
López, R.; Ezpeleta, E.; Sánchez, I.; Cacho, J.; Ferreira, V.,
Analysis of the aroma intensities of volatile compounds released from mild acid hydrolysates of odourless precursors extracted from Tempranillo and Grenache grapes using gas chromatography-olfactometry,
Food Chem., 2004, 88, 1, 95-103, https://doi.org/10.1016/j.foodchem.2004.01.025
. [all data]
Miyazawa and Okuno, 2003
Miyazawa, M.; Okuno, Y.,
Volatile components from the roots of Scrophularia ningpoensis Hemsl.,
Flavour Fragr. J., 2003, 18, 5, 398-400, https://doi.org/10.1002/ffj.1232
. [all data]
Aznar, López, et al., 2001
Aznar, M.; López, R.; Cacho, J.F.; Ferreira, V.,
Identification and quantification of impact odorants of aged red wines from Rioja. GC-olfactometry, quantitative GC-MS, and odor evaluation of HPLC fractions,
J. Agric. Food Chem., 2001, 49, 6, 2924-2929, https://doi.org/10.1021/jf001372u
. [all data]
Ferreira, Aznar, et al., 2001
Ferreira, V.; Aznar, M.; López, R.; Cacho, J.,
Quantitative gas chromatography-olfactometry carried out at different dilutions of an extract. Differences in the odor profiles of four high-quality spanish aged red wines,
J. Agric. Food Chem., 2001, 49, 10, 4818-4824, https://doi.org/10.1021/jf010283u
. [all data]
Iwatsuki, Mizota, et al., 1999
Iwatsuki, K.; Mizota, Y.; Kubota, T.; Nishimura, O.; Masuda, H.; Sotoyama, K.; Tomita, M.,
Aroma extract dilution analysis. Evluation of aroma of pasteurized and UHT processed milk by aroma extract dilution analysis,
Nippon Shokuhin Kagaku Kogaku Kaishi, 1999, 46, 9, 587-597, https://doi.org/10.3136/nskkk.46.587
. [all data]
Lopez, Ferreira, et al., 1999
Lopez, R.; Ferreira, V.; Hernandez, P.; Cacho, J.F.,
Identification of impact odorants of young red wines made with Merlot, Cabernet Sauvignon and Grenache grape varieties: a comparative study,
J. Sci. Food Agric., 1999, 79, 11, 1461-1467, https://doi.org/10.1002/(SICI)1097-0010(199908)79:11<1461::AID-JSFA388>3.0.CO;2-K
. [all data]
Näf and Velluz, 1998
Näf, R.; Velluz, A.,
Phenols and lactones in Italo-Mitcham peppermint oil Mentha × piperita L.,
Flavour Fragr. J., 1998, 13, 3, 203-208, https://doi.org/10.1002/(SICI)1099-1026(199805/06)13:3<203::AID-FFJ725>3.0.CO;2-0
. [all data]
Shuichi, Masazumi, et al., 1996
Shuichi, H.; Masazumi, N.; Hiromu, K.; Kiyoshi, F.,
Comparison of volatile compounds berween the crude drugs, Onji-tsutsu and Onji-niki,
Nippon nogei kagaku kaishi, 1996, 70, 2, 151-160. [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]
Escudero, Gogorza, et al., 2004
Escudero, A.; Gogorza, B.; Melús, M.A.; Ortín, N.; Cacho, J.; Ferreira, V.,
Characterization of the aroma of a wine from Maccabeo. Key role played by compounds with low odor activity values,
J. Agric. Food Chem., 2004, 52, 11, 3516-3524, https://doi.org/10.1021/jf035341l
. [all data]
Peng, Yang, et al., 1991, 2
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]
Wang, Hou, et al., 2007
Wang, G.; Hou, Z.; Sun, Y.; Liu, Y.; Xie, B.; Liu, S.,
Investigation of pyrolysis behavior of fenoxycarb using PY-GC-MS assisted with chemometric methods,
Chem. Anal., 2007, 52, 141-156. [all data]
Shao, Wang, et al., 2006
Shao, X.; Wang, G.; Sun, Y.; Zhang, R.; Xie, K.; Liu, H.,
Determination and Characterization of the Pyrolysis Products of Isoprocarb by GC-MS,
J. Chromatogr. Sci., 2006, 44, 3, 141-147, https://doi.org/10.1093/chromsci/44.3.141
. [all data]
Chen, Keeran, et al., 2002
Chen, P.H.; Keeran, W.S.; Van Ausdale, W.A.; Schindler, D.R.; Roberts, D.W.,
Application of Lee retention indices to the confirmation of tentatively identified compounds from GC/MS analysis of environmental samples, Technical paper, Analytical Services Division, Environmental ScienceEngineering, Inc, PO Box 1703, Gainesville, FL 32602, 2002, 11. [all data]
Donnelly, Abdel-Hamid, et al., 1993
Donnelly, J.R.; Abdel-Hamid, M.S.; Jeter, J.L.; Gurka, D.F.,
Application of gas chromatographic retention properties to the identification of environmental contaminants,
J. Chromatogr., 1993, 642, 1-2, 409-415, https://doi.org/10.1016/0021-9673(93)80106-I
. [all data]
Fuentes, Font, et al., 2007
Fuentes, M.J.; Font, R.; Gomez-Rico, M.F.; Martin-Gullon, I.,
Pyrolysis and combustion of waste lubricant oil from diesel cars: Decomposition and pollutants,
J. Anal. Appl. Pyrolysis, 2007, 79, 1-2, 215-226, https://doi.org/10.1016/j.jaap.2006.12.004
. [all data]
Eckel, Ross, et al., 1993
Eckel, W.P.; Ross, B.; Isensee, R.K.,
Pentobarbital found in ground water,
Ground Water, 1993, 31, 5, 801-804, https://doi.org/10.1111/j.1745-6584.1993.tb00853.x
. [all data]
Notes
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