2-Heptanol
- Formula: C7H16O
- Molecular weight: 116.2013
- IUPAC Standard InChI: InChI=1S/C7H16O/c1-3-4-5-6-7(2)8/h7-8H,3-6H2,1-2H3
- IUPAC Standard InChIKey: CETWDUZRCINIHU-UHFFFAOYSA-N
- CAS Registry Number: 543-49-7
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
The 3d structure may be viewed using Java or Javascript. - Stereoisomers:
- Other names: s-Heptyl alcohol; Amyl methyl carbinol; Methyl amyl carbinol; 2-Heptyl alcohol; 2-Hydroxyheptane; CH3(CH2)4CHOHCH3; Heptanol-2; n-Heptan-2-ol; Heptan-2-ol; 1-Methylhexanol; NSC 2220
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Mass spectrum (electron ionization)
Go To: Top, 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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| 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 | M.C. HAMMING CONTINENTAL OIL CO., PONCA CITY, OKLA, USA |
| NIST MS number | 20310 |
Gas Chromatography
Go To: Top, Mass spectrum (electron ionization), 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 | OV-101 | 150. | 882.3 | Cha and Lee, 1994 | Column length: 20. m; Column diameter: 0.5 mm |
| Capillary | OV-101 | 180. | 888.4 | Cha and Lee, 1994 | Column length: 20. m; Column diameter: 0.5 mm |
| Packed | SE-30 | 150. | 890. | Tiess, 1984 | Ar, Gas Chrom Q (80-100 mesh); Column length: 3. m |
| Packed | Apiezon L | 120. | 868. | Bogoslovsky, Anvaer, et al., 1978 | Celite 545 |
| Packed | Apiezon L | 160. | 877. | Bogoslovsky, Anvaer, et al., 1978 | Celite 545 |
| Packed | SE-30 | 100. | 889. | Pías and Gascó, 1975 | Ar, Chromosorb W AW DMCS HP (80-100 mesh); Column length: 1. m |
| Packed | SE-30 | 120. | 888. | Pías and Gascó, 1975 | Ar, Chromosorb W AW DMCS HP (80-100 mesh); Column length: 1. m |
| Packed | SE-30 | 140. | 886. | Pías and Gascó, 1975 | Ar, Chromosorb W AW DMCS HP (80-100 mesh); Column length: 1. m |
Kovats' RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | BP-1 | 887. | Raina, Srivastava, et al., 2002 | 25. m/0.55 mm/0.25 μm, N2, 5. K/min, 220. C @ 15. min; Tstart: 60. C |
| Capillary | BP-1 | 886. | Jain, Aggarwal, et al., 2001 | 25. m/0.55 mm/0.25 μm, N2, 5. K/min, 220. C @ 15. min; Tstart: 60. C |
| Capillary | DB-1 | 882. | Takeoka, Perrino, et al., 1996 | 60. m/0.25 mm/0.25 μm, 30. C @ 4. min, 2. K/min; Tend: 220. C |
| Capillary | DB-1 | 888. | Takeoka, Perrino, et al., 1996 | 60. m/0.25 mm/0.25 μm, 30. C @ 4. min, 2. K/min; Tend: 220. C |
| Capillary | SE-54 | 904. | Rembold, Wallner, et al., 1989 | 30. m/0.25 mm/0.25 μm, He, 0. C @ 12. min, 12. K/min; Tend: 250. C |
| Capillary | OV-101 | 883. | Ohnishi and Shibamoto, 1984 | 2. K/min; Column length: 50. m; Column diameter: 0.23 mm; Tstart: 80. C; Tend: 200. C |
| Capillary | OV-101 | 883. | Ohnishi and Shibamoto, 1984 | 2. K/min; Column length: 50. m; Column diameter: 0.23 mm; Tstart: 80. C; Tend: 200. C |
Kovats' RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | BP-1 | 888. | Khan, Verma, et al., 2006 | 30. m/0.32 mm/0.25 μm, N2; Program: 60C => 5C/min => 220C (5min) => 3C/min => 245C(5min) |
| Capillary | BP-1 | 888. | Raina, Srivastava, et al., 2003 | 25. m/0.32 mm/0.25 μm, N2; Program: 60C => 5C/min => 220C(5min) => 3C/min => 245C(5min) |
| Capillary | SE-30 | 921. | Brander, Kepner, et al., 1980 | Column length: 80. m; Column diameter: 0.29 mm; Program: not specified |
| Capillary | SE-30 | 924. | Brander, Kepner, et al., 1980 | Column length: 80. m; Column diameter: 0.29 mm; Program: not specified |
Kovats' RI, polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | BP-20 | 1294. | Khan, Verma, et al., 2006 | 30. m/0.32 mm/0.25 μm, N2, 5. K/min, 220. C @ 14. min; Tstart: 60. C |
| Capillary | Carbowax 20M | 1307. | Tressl, Friese, et al., 1978 | He, 2. K/min; Column length: 50. m; Column diameter: 0.28 mm; Tstart: 70. C; Tend: 190. C |
Kovats' RI, polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | Carbowax 20M | 1319. | Brander, Kepner, et al., 1980 | Program: not specified |
| Capillary | Carbowax 20M | 1319. | Brander, Kepner, et al., 1980 | Program: not specified |
Van Den Dool and Kratz RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | CP-Sil 8CB-MS | 904. | 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 | 877. | Brat, Rega, et al., 2003 | 30. m/0.25 mm/0.25 μm, He, 3. K/min, 250. C @ 20. min; Tstart: 40. C |
| Capillary | DB-1 | 882.5 | Sun and Stremple, 2003 | 30. m/0.25 mm/0.25 μm, He, 3. K/min; Tstart: 40. C; Tend: 325. C |
| Capillary | CP Sil 5 CB | 884. | Pino, Marbot, et al., 2002 | 30. m/0.25 mm/0.25 μm, H2, 60. C @ 10. min, 2. K/min, 280. C @ 40. min |
| Capillary | SPB-1 | 885. | 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 | CP Sil 5 CB | 887. | Pino, Marbot, et al., 2001 | 50. m/0.32 mm/0.4 μm, He, 60. C @ 10. min, 3. K/min, 280. C @ 60. min |
| Capillary | DB-1 | 887. | Brat, Brillouet, et al., 2000 | 30. m/0.32 mm/0.25 μm, H2, 40. C @ 3. min, 3. K/min, 245. C @ 20. min |
| Capillary | DB-5 | 901. | Moio, Piombino, et al., 2000 | 30. m/0.32 mm/1. μm, H2, 3. K/min; Tstart: 40. C; Tend: 210. C |
| Capillary | DB-5 | 900. | Moio, Piombino, et al., 2000 | 30. m/0.32 mm/1. μm, H2, 3. K/min; Tstart: 40. C; Tend: 210. C |
| Capillary | DB-5MS | 900. | Chassagne, Boulanger, et al., 1999 | 30. m/0.25 mm/0.25 μm, H2, 2. K/min; Tstart: 40. C; Tend: 200. C |
| Capillary | Methyl Silicone | 888. | Sumathykutty, Rao, et al., 1999 | 50. m/0.25 mm/0.17 μm, N2, 2. K/min; Tstart: 80. C; Tend: 200. C |
| Capillary | DB-5 | 901. | Moio and Addeo, 1998 | 30. m/0.32 mm/1. μm, H2, 3. K/min; Tstart: 40. C; Tend: 210. C |
| Capillary | DB-5 | 901. | Moio and Addeo, 1998 | 30. m/0.32 mm/1. μm, H2, 3. K/min; Tstart: 40. C; Tend: 210. C |
| Capillary | DB-1 | 884. | Bartelt, 1997 | 30. m/0.32 mm/5. μm, He, 35. C @ 1. min, 10. K/min; Tend: 270. C |
| Capillary | DB-1 | 886. | Warthen, Lee, et al., 1997 | 25. m/0.2 mm/0.11 μm, He, 5. K/min; Tstart: 50. C; Tend: 250. C |
| Capillary | DB-1 | 886. | Warthen, Lee, et al., 1997 | 25. m/0.2 mm/0.11 μm, He, 5. K/min; Tstart: 50. C; Tend: 250. C |
| Capillary | DB-1 | 897. | 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-5 | 896. | Rostad and Pereira, 1986 | 30. m/0.26 mm/0.25 μm, He, 50. C @ 4. min, 6. K/min, 300. C @ 20. min |
| Capillary | CP Sil 5 CB | 892. | Hendriks and Bruins, 1983 | 4. K/min; Column length: 25. m; Column diameter: 0.22 mm; Tstart: 70. C; Tend: 205. C |
Van Den Dool and Kratz RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | VF-5MS | 901.4 | Tret'yakov, 2007 | 30. m/0.25 mm/0.25 μm, He; Program: Multi-step temperature program; T(initial)=60C; T(final)=270C |
| Capillary | DB-5 | 905. | Wang, Finn, et al., 2005 | 30. m/0.32 mm/1. μm, He; Program: 40C(2min) => 5C/min => 100C => 4C/min => 230C (10min) |
| Capillary | DB-5 | 906. | Klesk and Qian, 2003 | 30. m/0.25 mm/0.25 μm, He; Program: 40C(2min) => 5C/min => 100C => 4C/min => 230C(10min) |
| Capillary | DB-5 | 908. | Klesk and Qian, 2003, 2 | 30. m/0.32 mm/1. μm, He; Program: 40C(2min) => 2C/min => 100C => 10C/min => 230C (5min) |
| Capillary | DB-1 | 886. | Place, Imhof, et al., 2003 | 60. m/0.32 mm/1. μm, He; Program: 35C(5min) => 10C/min => 45C (5min) => 5C/min => 250C (10min) |
| Capillary | DB-5 | 900. | 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 | 900. | 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 | 900. | 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 | 903. | 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 | SE-54 | 903. | Kubícková and Grosch, 1997 | Column length: 30. m; Column diameter: 0.32 mm; Program: 35C (2min) => 40C/min => 50C (2min) => 4C/min => 250C (10min) |
Van Den Dool and Kratz RI, polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | LM-120 | 1325. | Pinto, Guedes, et al., 2006 | 50. m/0.25 mm/0.5 μm, 3. K/min, 240. C @ 30. min; Tstart: 50. C |
| Capillary | OV-351 | 1285. | Bonvehí, 2005 | 50. m/0.32 mm/0.2 μm, He, 5. K/min; Tstart: 60. C; Tend: 220. C |
| Capillary | DB-Wax | 1327. | 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 | DB-Wax | 1335. | 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 | ZB-Wax | 1318. | Ledauphin, Saint-Clair, et al., 2004 | 30. m/0.25 mm/0.15 μm, He, 35. C @ 10. min, 1.8 K/min, 220. C @ 10. min |
| Capillary | DB-Wax | 1298. | Brat, Rega, et al., 2003 | 30. m/0.25 mm/0.25 μm, He, 3. K/min, 250. C @ 20. min; Tstart: 40. C |
| Capillary | AT-Wax | 1301. | Pino, Marbot, et al., 2001 | 60. m/0.32 mm/0.25 μm, He, 65. C @ 10. min, 2. K/min, 250. C @ 60. min |
| Capillary | Supelcowax-10 | 1321. | Chung, 2000 | 60. m/0.25 mm/0.25 μm, He, 2. K/min, 195. C @ 90. min; Tstart: 35. C |
| Capillary | DB-Wax | 1322. | Chassagne, Boulanger, et al., 1999 | 30. m/0.25 mm/0.25 μm, H2, 60. C @ 3. min, 2. K/min; Tend: 220. C |
| Capillary | Supelcowax-10 | 1321. | Chung, 1999 | 60. m/0.25 mm/0.25 μm, He, 35. C @ 5. min, 2. K/min, 195. C @ 90. min |
| Capillary | DB-Wax | 1296. | Shimoda, Peralta, et al., 1996 | 60. m/0.25 mm/0.25 μm, He, 3. K/min; Tstart: 50. C; Tend: 230. C |
| Capillary | DB-Wax | 1327. | Iwaoka, Hagi, et al., 1994 | He, 40. C @ 5. min, 2. K/min; Column length: 30. m; Column diameter: 0.25 mm; Tend: 200. C |
| Capillary | CP-Wax 52CB | 1303. | Wu and Yang, 1994 | H2, 50. C @ 10. min, 1.5 K/min, 200. C @ 40. min; Column length: 50. m; Column diameter: 0.32 mm |
| Capillary | DB-Wax | 1318. | Humpf and Schreier, 1991 | 30. m/0.25 mm/0.25 μm, He, 50. C @ 3. min, 4. K/min, 220. C @ 20. min |
| Capillary | CP-Wax 58CB | 1308. | Pabst, Barron, et al., 1991 | 30. m/0.25 mm/0.22 μm, He, 3. K/min; Tstart: 40. C; Tend: 220. C |
| Capillary | DB-Wax | 1318. | Fröhlich, Duque, et al., 1989 | 30. m/0.25 mm/0.25 μm, He, 50. C @ 3. min, 4. K/min; Tend: 250. C |
| Capillary | DB-Wax | 1321. | Fröhlich, Duque, et al., 1989 | 30. m/0.25 mm/0.25 μm, He, 50. C @ 3. min, 4. K/min; Tend: 250. C |
| Capillary | Supelcowax-10 | 1324. | 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 | 1325. | Tanchotikul and Hsieh, 1989 | 60. m/0.25 mm/0.25 μm, 40. C @ 5. min, 2. K/min, 175. C @ 20. min |
| Capillary | Carbowax 20M | 1323. | Chen and Ho, 1988 | He, 1.5 K/min, 225. C @ 80. min; Column length: 60. m; Column diameter: 0.32 mm; Tstart: 50. C |
| Capillary | Carbowax 20M | 1290. | Chen, Kuo, et al., 1982 | He, 50. C @ 10. min, 1. K/min; Tend: 160. C |
Van Den Dool and Kratz RI, polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | Supelcowax-10 | 1334. | 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 | Supelcowax-10 | 1332. | Bianchi, Careri, et al., 2007 | 30. m/0.25 mm/0.25 μm, He; Program: 40C(1min) => 10C/min => 120C => 15C/min => 200C (1min) |
| Capillary | Supelcowax-10 | 1326. | 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 | Stabilwax | 1331. | Wang, Finn, et al., 2005 | 30. m/0.32 mm/1. μm, He; Program: 40C(2min) => 5C/min => 100C => 4C/min => 230C (10min) |
| Capillary | Stabilwax | 1344. | Wang, Finn, et al., 2005 | 30. m/0.32 mm/1. μm, He; Program: 40C(2min) => 5C/min => 100C => 4C/min => 230C (10min) |
| Capillary | DB-Wax | 1310. | Ferrari, Lablanquie, et al., 2004 | 60. m/0.25 mm/0.25 μm, He; Program: 35C(0.7min) => 20C/min => 70C => 4C/min => 240C |
| Capillary | Stabilwax | 1333. | Klesk and Qian, 2003 | 30. m/0.32 mm/1. μm, He; Program: 40C(2min) => 5C/min => 100C => 4C/min => 230C(10min) |
| Capillary | DB-Wax | 1335. | Klesk and Qian, 2003, 2 | 30. m/0.25 mm/0.5 μm, He; Program: 40C(2min) => 2C/min => 100C => 10C/min => 230C (5min) |
| Capillary | DB-Wax | 1312. | Cantergiani, Brevard, et al., 2001 | 30. m/0.25 mm/0.25 μm; Program: 20C(30s) => fast => 60C => 4C/min => 220C (20min) |
| Capillary | Innowax | 1334. | 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 | Carbowax 20M | 1324. | Whitfield, Shea, et al., 1981 | Column length: 150. m; Column diameter: 0.75 mm; Program: not specified |
Normal alkane RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-5 | 896. | Vahirua-Lechat, Mitermite, et al., 2010 | 30. m/0.25 mm/0.25 μm, Helium, 3. K/min, 240. C @ 2. min; Tstart: 80. C |
| Capillary | DB-1 | 888. | Kumazawa, Itobe, et al., 2008 | 30. m/0.25 mm/0.25 μm, He, 5. K/min; Tstart: 30. C; Tend: 210. C |
| Capillary | Elite-1 | 900. | Raj, Baby, et al., 2008 | 30. m/0.32 mm/0.25 μm, Helium, 3. K/min; Tstart: 60. C; Tend: 246. C |
| Capillary | 5 % Phenyl methyl siloxane | 900. | 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 | 5 % Phenyl methyl siloxane | 900. | 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 | DB-5 | 911. | Fan and Qian, 2006 | 30. m/0.32 mm/1. μm, N2, 40. C @ 2. min, 6. K/min, 230. C @ 15. min |
| Capillary | HP-1 | 885. | Fernandez, Pintaric, et al., 2006 | 50. m/0.2 mm/0.33 μm, He, 2. K/min, 250. C @ 60. min; Tstart: 60. C |
| Capillary | HP-5MS | 890. | Setzer, Noletto, et al., 2006 | 30. m/0.25 mm/0.25 μm, He, 60. C @ 5. min, 3. K/min; Tend: 280. C |
| Capillary | SPB-1 | 887. | Wong, Lim, et al., 2006 | 50. m/0.2 mm/0.33 μm, He, 50. C @ 1. min, 4. K/min, 220. C @ 10. min |
| Capillary | DB-5 | 915. | Fan and Qian, 2005 | 30. m/0.32 mm/0.25 μm, N2, 40. C @ 2. min, 4. K/min, 250. C @ 5. min |
| Capillary | HP-5 | 905.1 | Leffingwell and Alford, 2005 | 60. m/0.32 mm/0.25 μm, He, 30. C @ 2. min, 2. K/min, 260. C @ 28. min |
| Capillary | SPB-5 | 906. | Ledauphin, Guichard, et al., 2003 | 30. m/0.32 mm/0.25 μm, He, 40. C @ 1. min, 5. K/min, 220. C @ 20. min |
| Capillary | OV-101 | 893. | Menon, Chacko, et al., 1999 | N2, 1. K/min, 200. C @ 20. min; Column length: 50. m; Column diameter: 0.2 mm; Tstart: 80. C |
| Capillary | HP-5 | 903. | Larsen and Frisvad, 1995 | 35. C @ 2. min, 6. K/min; Tend: 200. C |
| Capillary | DB-1 | 880. | Shiota, 1993 | 30. m/0.25 mm/0.25 μm, He, 50. C @ 5. min, 3. K/min; Tend: 240. C |
| Capillary | DB-1 | 880. | Shiota, 1993 | 30. m/0.25 mm/0.25 μm, He, 50. C @ 5. min, 3. K/min; Tend: 240. C |
| Capillary | DB-1 | 880. | Shiota, 1993 | 30. m/0.25 mm/0.25 μm, He, 50. C @ 3. min, 5. K/min; Tend: 240. C |
| Capillary | DB-1 | 881. | Shiota, 1993 | 30. m/0.25 mm/0.25 μm, He, 50. C @ 3. min, 5. K/min; Tend: 240. C |
| Capillary | OV-101 | 888. | Anker, Jurs, et al., 1990 | 2. K/min; Column length: 50. m; Column diameter: 0.28 mm; Tstart: 80. C; Tend: 200. C |
| Capillary | HP-5 | 888. | Spadone, Takeoka, et al., 1990 | H2, 16. K/min; Column length: 50. m; Column diameter: 0.3 mm; Tstart: 80. C; Tend: 250. C |
| Capillary | HP-5 | 898. | Spadone, Takeoka, et al., 1990 | H2, 16. K/min; Column length: 50. m; Column diameter: 0.3 mm; Tstart: 80. C; Tend: 250. C |
| Capillary | DB-5 | 919. | Georgilopoulos and Gallois, 1988 | 30. m/0.35 mm/1.0 μm, Hydrogen, 2. K/min; Tstart: 45. C; Tend: 220. C |
| Capillary | DB-1 | 881. | Habu, Flath, et al., 1985 | 3. K/min; Column length: 50. m; Column diameter: 0.32 mm; Tstart: 0. C; Tend: 250. C |
| Capillary | DB-1 | 881. | Habu, Flath, et al., 1985 | 3. K/min; Column length: 50. m; Column diameter: 0.32 mm; Tstart: 50. C; Tend: 250. C |
| Capillary | OV-101 | 894. | del Rosario, de Lumen, et al., 1984 | He, 0. C @ 1. min, 3. K/min; Column length: 50. m; Column diameter: 0.31 mm; Tend: 225. C |
| Capillary | DB-1 | 881. | Flath, Mon, et al., 1983 | 50. C @ 0.1 min, 4. K/min, 250. C @ 5. min; Column length: 60. m; Column diameter: 0.32 mm |
| Capillary | SE-30 | 889. | Heydanek and McGorrin, 1981 | 40. C @ 3. min, 3. K/min; Column length: 50. m; Column diameter: 0.5 mm; Tend: 170. C |
Normal alkane RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | Polydimethyl siloxane with 5 % Ph groups | 901. | Robinson, Adams, et al., 2012 | Program: not specified |
| Capillary | Polydimethyl siloxane with 5 % Ph groups | 908. | Robinson, Adams, et al., 2012 | Program: not specified |
| Capillary | Siloxane, 5 % Ph | 889. | VOC BinBase, 2012 | Program: not specified |
| Capillary | 5 % Phenyl polydimethyl siloxane | 894. | Chaverri, Diaz, et al., 2011 | Program: not specified |
| Capillary | OV-1 | 875. | Chen and Li, 2011 | Helium; Column length: 30. m; Column diameter: 0.25 mm; Program: 40 0C 2 0C/min -> 120 0C 10 0C/min -> 230 0C (15 min) |
| Capillary | Polydimethyl siloxane, 5 % phenyl | 889. | Skogerson, Wohlgemuth, et al., 2011 | Program: not specified |
| Capillary | HP-5 | 906. | Rotsatschakul, Visesanguan, et al., 2009 | 60. m/0.25 mm/0.25 μm, Helium; Program: 30 0C (2 min) 2 0Cmin -> 60 0C 10 0C/min -> 100 0C 20 0C/min -> 140 0C 10 0C/min -> 200 0C (10 min) |
| Capillary | BPX-5 | 918. | se Souza, Cardeal, et al., 2009 | 30. m/0.25 mm/0.25 μm, Helium; Program: 35 0C (5 min) 3 0C/min -> 210 0C 40 0C/min -> 240 0C (10 min) |
| Capillary | BPX-5 | 879. | se Souza, Cardeal, et al., 2009 | 30. m/0.25 mm/0.25 μm, Helium; Program: not specified |
| Capillary | Elite-1 | 904. | Raj, Baby, et al., 2008 | 30. m/0.32 mm/0.25 μm, Helium; Program: not specified |
| Capillary | HP-5 | 909. | Zhao, Li, et al., 2008 | 30. m/0.25 mm/0.25 μm; Program: 40 0C (2 min) 5 0C/min -> 80 0C 7 oC/min -> 160 0C 9 0C/min -> 200 0C 20 0C/min -> 280 0C (10 min) |
| Capillary | HP-5 | 915. | Zhao, Li, et al., 2008 | 30. m/0.25 mm/0.25 μm; Program: not specified |
| Capillary | DB-5 MS | 903. | Cajka, Hajslova, et al., 2007 | 30. m/0.25 mm/0.25 μm, Helium; Program: 45 0C (0.75 min) 10 0C/min -> 200 0C 30 0C/min -> 245 0C (1.25 min) |
| Capillary | Methyl Silicone | 889. | Chen and Feng, 2007 | Program: not specified |
| Capillary | CP-Sil | 896. | Proffit, 2007 | 30. m/0.25 mm/0.25 μm, Helium; Program: 50 0C (3 min) 3 0C/min -> 100 0C 2.7 0C/min -> 140 0C 2.4 0C/min -> 180 0C 6 0C/min -> 250 0C |
| Capillary | HP-5MS | 902. | Yu, Huang, et al., 2007 | 30. m/0.25 mm/0.25 μm, He; Program: 40C(3min) => 6C/min => 160C => 10C/min => 300C (10min) |
| Capillary | Methyl Silicone | 889. | Kou, Zhang, et al., 2006 | Program: not specified |
| Capillary | CP Sil 5 CB | 880. | Counet, Ouwerx, et al., 2004 | 50. m/0.32 mm/1.2 μm; Program: 36C => 20C/min => 85C => 1C/min => 145C => 3C/min => 250C(30min) |
| Capillary | Methyl Silicone | 889. | Fu and Wang, 2004 | Program: not specified |
| Capillary | HP-5 | 900. | 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 | 900. | 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 | SE-30 | 888. | Vinogradov, 2004 | Program: not specified |
| Capillary | DB-1 | 906. | Alves and Franco, 2003 | 30. m/0.25 mm/0.25 μm, H2; Program: 40C(10min) => 2C/min => 110C => 5C/min => 200C(10min) |
| Capillary | SPB-5 | 897. | Begnaud, Pérès, et al., 2003 | 60. m/0.32 mm/1. μm; Program: not specified |
| Capillary | Polydimethyl siloxane | 886. | Junkes, Castanho, et al., 2003 | Program: not specified |
| Capillary | SE-54 | 900. | Bastos, Franco, et al., 2002 | 50. m/0.20 mm/0.25 μm, H2; Program: 50 0C (8 min) 1 0C/min -> 75 0C 2 0C/min -> 110 0C 5 0C/min -> 200 0C |
| Capillary | CP Sil 5 CB | 879. | Counet, Callemien, et al., 2002 | 50. m/0.32 mm/1.2 μm; Program: 36C => 20C/min => 85C => 1C/min => 145C=3C/min => 250C(30min) |
| Capillary | HP-5 | 894. | Jordán, Goodner, et al., 2002 | 30. m/0.25 mm/0.25 μm; Program: not specified |
| Capillary | DB-1 | 882. | Binder and Flath, 1989 | Column length: 60. m; Column diameter: 0.32 mm; Program: not specified |
| Capillary | SF96+Igepal | 906. | Flath, Altieri, et al., 1984 | Column length: 152. m; Column diameter: 0.76 mm; Program: 25C(1min) => 5C/min => 50C (4min) => 1.25C/min => 180C |
Normal alkane RI, polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | CP-Wax CB | 1328. | Alves, da Penha, et al., 2012 | 30. m/0.25 mm/0.25 μm, Helium, 2. K/min, 150. C @ 5. min; Tstart: 50. C |
| Capillary | VF-Wax MS | 1315. | Duarte, Dias, et al., 2010 | 60. m/0.25 mm/0.25 μm, Helium, 60. C @ 5. min, 3. K/min, 220. C @ 25. min |
| Capillary | DB-Wax | 1313. | Vahirua-Lechat, Mitermite, et al., 2010 | 30. m/0.25 mm/0.25 μm, Helium, 3. K/min, 240. C @ 2. min; Tstart: 80. C |
| Capillary | CP-Wax | 1312. | Mo, Fan, et al., 2009 | 60. m/0.25 mm/0.25 μm, Helium, 50. C @ 2. min, 6. K/min, 230. C @ 15. min |
| Capillary | DB-Wax | 1316. | Zhao, Xu, et al., 2009 | 30. m/0.25 mm/0.25 μm, Helium, 40. C @ 2. min, 3. K/min, 230. C @ 5. min |
| Capillary | DB-Wax | 1316. | Kumazawa, Itobe, et al., 2008 | 30. m/0.25 mm/0.25 μm, He, 5. K/min; Tstart: 30. C; Tend: 210. C |
| Capillary | RTX-Wax | 1286. | 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 | DB-Wax | 1328. | Strohalm, Dregus, et al., 2007 | 60. m/0.25 mm/0.25 μm, H2, 40. C @ 5. min, 4. K/min, 230. C @ 25. min |
| Capillary | DB-Wax | 1318. | Fan and Qian, 2006, 2 | 30. m/0.32 mm/0.25 μm, He, 40. C @ 2. min, 4. K/min, 230. C @ 15. min |
| Capillary | DB-Wax | 1319. | Fan and Qian, 2006 | 30. m/0.32 mm/0.25 μm, N2, 40. C @ 2. min, 6. K/min, 230. C @ 15. min |
| Capillary | BP-20 | 1320. | La Guerche S., Dauphin B., et al., 2006 | 50. m/0.22 mm/0.25 μm, H2, 45. C @ 1. min, 3. K/min, 230. C @ 15. min |
| Capillary | Supelcowax-10 | 1320. | Wong, Lim, et al., 2006 | 30. m/0.25 mm/0.25 μm, He, 50. C @ 1. min, 4. K/min, 220. C @ 10. min |
| Capillary | DB-Wax | 1310. | Fan and Qian, 2005 | 30. m/0.32 mm/0.25 μm, N2, 40. C @ 2. min, 4. K/min, 230. C @ 5. min |
| Capillary | Stabilwax DA | 1326. | Nogueira, Lubachevsky, et al., 2005 | 60. m/0.25 mm/0.5 μm, 40. C @ 5. min, 5. K/min; Tend: 180. C |
| Capillary | DB-Wax | 1344. | Qian and Wang, 2005 | 60. m/0.32 mm/0.50 μm, Nitrogen, 35. C @ 4. min, 2. K/min, 235. C @ 30. min |
| Capillary | PEG-20M | 1322. | Narain, Almeida, et al., 2004 | 50. m/0.20 mm/0.20 μm, 40. C @ 5. min, 3. K/min, 180. C @ 30. min |
| Capillary | DB-Wax | 1334. | Alves and Franco, 2003 | 30. m/0.25 mm/0.5 μm, H2, 50. C @ 10. min, 3. K/min, 200. C @ 10. min |
| Capillary | DB-Wax | 1326. | Tanaka, Yamauchi, et al., 2003 | 30. m/0.25 mm/0.25 μm, 30. C @ 1. min, 4. K/min; Tend: 250. C |
| Capillary | DB-Wax | 1321. | Fu, Yoon, et al., 2002 | 30. m/0.25 mm/0.25 μm, He, 40. C @ 5. min, 8. K/min, 250. C @ 5. min |
| Capillary | HP-Wax | 1332. | Sanz, Maeztu, et al., 2002 | 60. m/0.25 mm/0.5 μm, He, 40. C @ 6. min, 3. K/min; Tend: 190. C |
| Capillary | DB-Wax | 1332. | Lee and Shibamoto, 2001 | 30. m/0.25 mm/0.25 μm, He, 3. K/min, 180. C @ 40. min; Tstart: 50. C |
| Capillary | HP-Wax | 1332. | Sanz, Ansorena, et al., 2001 | 60. m/0.25 mm/0.5 μm, He, 40. C @ 6. min, 3. K/min; Tend: 190. C |
| Capillary | Carbowax | 1280. | Menon, Chacko, et al., 1999 | N2, 1. K/min, 200. C @ 20. min; Column length: 50. m; Column diameter: 0.2 mm; Tstart: 80. C |
| Capillary | DB-Wax | 1304. | Morales, Albarracín, et al., 1996 | 30. m/0.25 mm/0.25 μm, He, 20. C @ 4. min, 4. K/min, 200. C @ 10. min |
| Capillary | DB-Wax | 1318. | Morales, Albarracín, et al., 1996 | 30. m/0.25 mm/0.25 μm, He, 50. C @ 4. min, 4. K/min, 200. C @ 10. min |
| Capillary | TC-Wax | 1311. | 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 | 1284. | Anker, Jurs, et al., 1990 | 2. K/min; Column length: 80. m; Column diameter: 0.2 mm; Tstart: 70. C; Tend: 170. C |
| Capillary | SP-1000 | 1322. | 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; Tstart: 60. C |
| Capillary | DB-Wax | 1315. | Binder and Flath, 1989 | 50. C @ 0.1 min, 4. K/min, 250. C @ 5. min; Column length: 60. m; Column diameter: 0.32 mm |
| Capillary | Carbowax 20M | 1290. | Buttery, Parker, et al., 1981 | 50. C @ 30. min, 1. K/min; Column length: 150. m; Column diameter: 0.64 mm; Tend: 170. C |
| Capillary | Carbowax 20M | 1290. | Buttery, Ling, et al., 1980 | 50. C @ 30. min, 1. K/min; Column length: 150. m; Column diameter: 0.64 mm; Tend: 170. C |
Normal alkane RI, polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-Wax | 1318. | Welke, Manfroi, et al., 2012 | 30. m/0.25 mm/0.25 μm, Helium; Program: not specified |
| Capillary | DB-Wax | 1318. | Welke, Manfroi, et al., 2012 | 30. m/0.25 mm/0.25 μm, Helium; Program: not specified |
| Capillary | DB-Wax | 1326. | Welke, Manfroi, et al., 2012 | 30. m/0.25 mm/0.25 μm, Helium; Program: not specified |
| Capillary | SOLGel-Wax | 1334. | Johanningsmeier and McFeeters, 2011 | 30. m/0.25 mm/0.25 μm, Helium; Program: 40 0C (2 min) 5 0C/min -> 140 0C 10 0C/min -> 250 0C (3 min) |
| Capillary | SOLGel-Wax | 1334. | Johanningsmeier and McFeeters, 2011 | 30. m/0.25 mm/0.25 μm, Helium; Program: 40 0C (2 min) 5 0C/min -> 140 0C 10 0C/min -> 250 0C (3 min) |
| Capillary | SOLGel-Wax | 1334. | Johanningsmeier and McFeeters, 2011 | 30. m/0.25 mm/0.25 μm, Helium; Program: not specified |
| Capillary | CP-Wax 52 CB | 1334. | Povolo, Cabassi, et al., 2011 | Program: not specified |
| Capillary | Polyethylene glycol (Free Fatty Acid Phase) | 1336. | Harraca, Syed, et al., 2009 | Column length: 30. m; Column diameter: 0.25 mm; Program: not specified |
| Capillary | DB-Wax | 1318. | Zhao, Xu, et al., 2009 | 30. m/0.25 mm/0.25 μm, Helium; Program: not specified |
| Capillary | FFAP | 1300. | Frauendorfer and Schieberle, 2008 | Helium; Program: not specified |
| Capillary | DB-Wax | 1312. | Tao, Wenlai, et al., 2008 | 30. m/0.32 mm/0.25 μm, Helium; Program: 50 0C 20 0C/min -> 80 0C 3 0C/min -> 230 0C |
| Capillary | DB-Wax | 1335. | Yongsheng, Hua, et al., 2008 | 30. m/0.32 mm/0.25 μm, Helium; Program: 40 0C (4 min) 3 0C/min -> 50 0C 5 0C/min -> 120 0C 7 0C/min -> 175 0C 10 0C/min -> 230 0C (8 min) |
| Capillary | Supelcowax-10 | 1326. | Berard, Bianchi, et al., 2007 | 30. m/0.25 mm/0.25 μm, He; Program: 35C(8min) => 6C/min => 60C => 4C/min => 160C => 20C/min => 200C(1min) |
| Capillary | Supelcowax-10 | 1334. | Berard, Bianchi, et al., 2007 | 30. m/0.25 mm/0.25 μm, He; Program: 35C(8min) => 6C/min => 60C => 4C/min => 160C => 20C/min => 200C(1min) |
| Capillary | HP-20M | 1304. | Chaieb, Hajlaoui, et al., 2007 | Program: not specified |
| Capillary | BP-20 | 1322. | Pontes, Marques, et al., 2007 | 30. m/0.25 mm/0.25 μm, He; Program: 50C(1min) => 2.5C/min => 100C => 2C/min => 180C => 15C/min => 220C |
| Capillary | DB-Wax | 1324. | Tian, Zhang, et al., 2007 | 30. m/0.25 mm/0.25 μm, He; Program: 50 0C (2 min) 6 0C/min -> 150 0C 8 0C/min -> 230 0C (15 min) |
| Capillary | Innowax FSC | 1320. | Baser, Özek, et al., 2004 | 60. m/0.25 mm/0.25 μm, He; Program: 60C(10min) => 4C/min => 220C(10min) => 1C/min => 240C |
| Capillary | Carbowax 20M | 1284. | Vinogradov, 2004 | Program: not specified |
| Capillary | Nukol | 1293. | López and Dufour, 2001 | N2; Column length: 25. m; Column diameter: 0.25 mm; Program: 45C(5min) => 20C/min => 100C(1min) => 3C/min => 190C(40min) |
| Capillary | DB-Wax | 1318. | Mayorga, Knapp, et al., 2001 | 30. m/0.25 mm/0.25 μm; Program: 50C(4min) => 4C/min => 130C => 1C/min => 190C => 4C/min => 220C(20min) |
| Capillary | DB-Wax | 1320. | Mayorga, Knapp, et al., 2001 | 30. m/0.25 mm/0.25 μm; Program: 50C(4min) => 4C/min => 130C => 1C/min => 190C => 4C/min => 220C(20min) |
| Capillary | DB-Wax | 1286. | Miranda, Nogueira, et al., 2001 | 30. m/0.25 mm/0.25 μm, He; Program: 25 0C (0.5 min) 50 K/min -> 50 0C 3.5 K/min -> 150 0C 7.5 K/min -> 240 0C |
| Capillary | DB-Wax | 1318. | Caldentey, Daria Fumi, et al., 1998 | 30. m/0.25 mm/0.25 μm, He; Program: 25C(8min) => 4C/min => 60C => 6C/min => 160C => 20C/min => 200C |
| Capillary | DB-Wax | 1318. | Binder and Flath, 1989 | Column length: 60. m; Column diameter: 0.32 mm; Program: not specified |
Lee's RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-5 | 142.33 | Rostad and Pereira, 1986 | 30. m/0.26 mm/0.25 μm, He, 50. C @ 4. min, 6. K/min, 300. C @ 20. min |
References
Go To: Top, Mass spectrum (electron ionization), Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
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Nogueira, Lubachevsky, et al., 2005
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A study of the volatile composition of Minas cheese,
Lebensm. Wiss. Technol., 2005, 38, 5, 555-563, https://doi.org/10.1016/j.lwt.2004.07.019
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Qian and Wang, 2005
Qian, M.C.; Wang, Y.,
Seasonal Variations of Volatile Composition and Odor Activity Value of Marion (Rubus spp. hyb) and Thornless Evergreen (R.laciniatus L.) Blackberries,
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Narain, Almeida, et al., 2004
Narain, N.; Almeida, J.N.; Galvão, M.S.; Madruga, M.S.; de Brito, E.S.,
Volatile compounds in passion fruit (Passiflora edulis forma Flavicarpa) and yellow mombin (Spondias mombin L.) fruits obtained by dynamic headspace technique,
Cienc. Tecnol. Aliment. Campinas, 2004, 24, 2, 212-216, https://doi.org/10.1590/S0101-20612004000200009
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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
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Fu, Yoon, et al., 2002
Fu, S.-G.; Yoon, Y.; Basemore, R.,
Aroma-actie components in fermented bamboo shoots,
J. Agric. Food Chem., 2002, 50, 3, 549-554, https://doi.org/10.1021/jf010883t
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Sanz, Maeztu, et al., 2002
Sanz, C.; Maeztu, L.; Zapelena, M.J.; Bello, J.; Cid, C.,
Profiles of volatile compounds and sensory analysis of three blends of coffee: influence of different proportions of Arabica and Robusta and influence of roasting coffee with sugar,
J. Sci. Food Agric., 2002, 82, 8, 840-847, https://doi.org/10.1002/jsfa.1110
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Lee and Shibamoto, 2001
Lee, K.-G.; Shibamoto, T.,
Antioxidant property of aroma extract isolated from clove buds [Syzygium aromaticum (L.) Merr. et Perry],
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Optimizing headspace temperature and time sampling for identification of volatile compounds in ground roasted Arabica coffee,
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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]
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,
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Buttery, Parker, et al., 1981
Buttery, R.G.; Parker, F.D.; Teranishi, R.; Mon, T.R.; Ling, L.C.,
Volatile components of alfalfa leaf-cutter bee cells,
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Buttery, Ling, et al., 1980
Buttery, R.G.; Ling, L.C.; Teranishi, R.,
Volatile of corn tassels: possible corn ear worm attractants,
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Welke, Manfroi, et al., 2012
Welke, J.E.; Manfroi, V.; Zanus, M.; Lazarotto, M.; Zini, C.A.,
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Johanningsmeier, S.D.; McFeeters, R.F.,
Detection of volatile spoilage metabolites in fermented cucumbers using nontargeted, comprehensive 2-dimensional gas chromatography-time-of-flight mass spectrometry (GCxGCxTOFMS),
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Study on the use of evolved gas analysis FT-IR (EGA FT-IR) for the evaluation of cheese volatile fraction,
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Frauendorfer and Schieberle, 2008
Frauendorfer, F.; Schieberle, P.,
Changes in key aroma compounds of criollo cocoa beans during roasting,
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Tao, Wenlai, et al., 2008
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Yongsheng, Hua, et al., 2008
Yongsheng, T.; Hua, L.; Hua, W.; Li, Z.,
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Chaieb, Hajlaoui, et al., 2007
Chaieb, K.; Hajlaoui, H.; Zmantar, T.; Ben Kahla-Nakbi, A.; Rouabhia, M.; Mahdouani, K.; Bakhrouf, A.,
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Pontes, Marques, et al., 2007
Pontes, M.; Marques, J.C.; Camara, J.S.,
Screening of volatile composition from Portuguese multifloral honeys using headspace solid-phase microextraction-gas chromatography-quadrupole mass spectrometry,
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Tian, Zhang, et al., 2007
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Research advances on the essential oils from leaves of Eucalyptus,
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Baser, Özek, et al., 2004
Baser, K.H.C.; Özek, T.; Kirimer, N.; Deliorman, D.; Ergun, F.,
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López and Dufour, 2001
López, M.G.; Dufour, J.P.,
Chapter 6. Tequilas: charm analysis of Blanco, Teposado, and Anejo tequilas,
Am. Chem. Soc. Symp. Ser., 2001, 782, 62-72. [all data]
Mayorga, Knapp, et al., 2001
Mayorga, H.; Knapp, H.; Winterhalter, P.; Duque, C.,
Glycosidically bound flavor compounds of cape gooseberry (Physalis peruviana L.),
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Miranda, Nogueira, et al., 2001
Miranda, E.J.F.; Nogueira, R.I.; Pontes, S.M.; Rezende, C.M.,
Odour-active compounds of banana passa identified by aroma extract dilution analysis,
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Caldentey, Daria Fumi, et al., 1998
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Volatile compounds produced by microorganisms isolated from cork,
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. [all data]
Notes
Go To: Top, Mass spectrum (electron ionization), Gas Chromatography, References
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