Acetoin
- Formula: C4H8O2
- Molecular weight: 88.1051
- IUPAC Standard InChI: InChI=1S/C4H8O2/c1-3(5)4(2)6/h3,5H,1-2H3
- IUPAC Standard InChIKey: ROWKJAVDOGWPAT-UHFFFAOYSA-N
- CAS Registry Number: 513-86-0
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
The 3d structure may be viewed using Java or Javascript. - Species with the same structure:
- Stereoisomers:
- Other names: 2-Butanone, 3-hydroxy-; γ-Hydroxy-β-oxobutane; Acetyl methyl carbinol; Dimethylketol; Methanol, acetylmethyl-; 1-Hydroxyethyl methyl ketone; 2-Hydroxy-3-butanone; 2,3-Butanolone; 3-Hydroxy-2-butanone; 2-Butanol-3-one; UN 2621; 2-Hydroxy-3-oxobutane; 3-Hydroxybutan-2-one; 3-Hydroxyl-2-butanone; Butan-2-one, 3-hydroxy-; NSC 7609; acetoine; 3-hydroxy-2-butanone (acetoin); 3-hydroxybutan-2-one (acetoin); 3-hydroxy-2-butanone (acetoine); acetoin (3-hydroxy-2-butanone
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Normal alkane RI, polar column, temperature ramp
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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
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | HP-FFAP | HP-FFAP | HP-FFAP | FFAP | DB-FFAP |
| Column length (m) | 25. | 25. | 25. | 30. | 30. |
| Carrier gas | Helium | Helium | Helium | Nitrogen | Helium |
| Substrate | |||||
| Column diameter (mm) | 0.32 | 0.32 | 0.32 | 0.32 | 0.32 |
| Phase thickness (μm) | 0.50 | 0.50 | 0.50 | 0.50 | 0.25 |
| Tstart (C) | 45. | 45. | 45. | 35. | 50. |
| Tend (C) | 220. | 220. | 220. | 250. | 250. |
| Heat rate (K/min) | 15. | 15. | 15. | 4. | 4. |
| Initial hold (min) | 5. | 4. | |||
| Final hold (min) | 45. | 5. | |||
| I | 1295. | 1306. | 1307. | 1299. | 1284. |
| Reference | Wanakhachornkrai and Lertsiri, 9999 | Wanakhachornkrai and Lertsiri, 9999 | Wanakhachornkrai and Lertsiri, 9999 | Budryn, Nebesny, et al., 2011 | Osorio, Carriazo, et al., 2011 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | FFAP | VF-Wax MS | DB-Wax | DB-Wax | DB-FFAP |
| Column length (m) | 60. | 60. | 60. | 30. | 30. |
| Carrier gas | Helium | Helium | Helium | Helium | |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.32 | 0.32 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.50 | 0.25 | 0.25 |
| Tstart (C) | 45. | 60. | 40. | 40. | 0. |
| Tend (C) | 220. | 220. | 210. | 230. | 200. |
| Heat rate (K/min) | 5. | 3. | 2. | 6. | 6. |
| Initial hold (min) | 1. | 5. | 5. | 2. | 2. |
| Final hold (min) | 5. | 25. | 70. | 20. | |
| I | 1273. | 1285. | 1305. | 1283. | 1275. |
| Reference | Piyachaiseth, Jirapakkul, et al., 2011 | Duarte, Dias, et al., 2010 | Moon and Shibamoto, 2010 | Chen, Song, et al., 2009 | Laselan, Buettner, et al., 2009 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | CP-Wax | DB-Wax | DB-Wax | DB-Wax | DB-Wax |
| Column length (m) | 60. | 60. | 30. | 60. | 60. |
| Carrier gas | Helium | Helium | Helium | Helium | Helium |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.32 | 0.32 |
| Phase thickness (μm) | 0.25 | 0.50 | 0.25 | 0.25 | 0.25 |
| Tstart (C) | 50. | 40. | 40. | 30. | 30. |
| Tend (C) | 230. | 210. | 230. | 200. | 200. |
| Heat rate (K/min) | 6. | 2. | 3. | 2. | 2. |
| Initial hold (min) | 2. | 5. | 2. | 4. | 4. |
| Final hold (min) | 15. | 70. | 5. | 30. | 30. |
| I | 1294. | 1303. | 1287. | 1274. | 1278. |
| Reference | Mo, Fan, et al., 2009 | Moon and Shibamoto, 2009 | Zhao, Xu, et al., 2009 | Beck, Higbee, et al., 2008 | Beck, Higbee, et al., 2008 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | CP-Wax 57 CB | HP-Innowax | DB-Wax | ZB-Wax | HP-Innowax |
| Column length (m) | 50. | 30. | 30. | 60. | 50. |
| Carrier gas | Hydrogen | Helium | Helium | Helium | Helium |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.32 | 0.20 |
| Phase thickness (μm) | 0.20 | 0.25 | 0.25 | 0.50 | 0.20 |
| Tstart (C) | 35. | 50. | 60. | 40. | 45. |
| Tend (C) | 150. | 240. | 250. | 220. | 190. |
| Heat rate (K/min) | 4. | 15. | 10. | 4. | 4. |
| Initial hold (min) | 5. | 10. | 2. | 5. | 2. |
| Final hold (min) | 17.5 | 19. | 10. | 5. | 50. |
| I | 1271. | 1295. | 1314. | 1320. | 1296. |
| Reference | Callejon, Morales, et al., 2008 | Charoensiddhi and Anprung, 2008 | Guo, Wu, et al., 2008 | Marin, Pozrl, et al., 2008 | Soria, Sanz, et al., 2008 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | DB-Wax | FFAP | CP-Wax 52CB | CP-Wax 52CB | CP-Wax 52CB |
| Column length (m) | 30. | 30. | 60. | 60. | 60. |
| Carrier gas | He | N2 | He | He | He |
| Substrate | |||||
| Column diameter (mm) | 0.32 | 0.32 | 0.32 | 0.32 | 0.32 |
| Phase thickness (μm) | 0.5 | 0.5 | 0.5 | 0.5 | 0.5 |
| Tstart (C) | 40. | 35. | 40. | 40. | 40. |
| Tend (C) | 240. | 320. | 220. | 220. | 220. |
| Heat rate (K/min) | 5. | 4. | 4. | 4. | 4. |
| Initial hold (min) | 5. | 8. | 8. | 8. | |
| Final hold (min) | 45. | 20. | 20. | 20. | |
| I | 1292. | 1299. | 1292. | 1295. | 1297. |
| Reference | Dury-Brun, Fournier, et al., 2007 | Nebesny, Budryn, et al., 2007 | Povolo, Contarini, et al., 2007 | Povolo, Contarini, et al., 2007 | Povolo, Contarini, et al., 2007 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | BP-20 | DB-Wax | DB-Wax | DB-Wax | ZB-Wax |
| Column length (m) | 30. | 30. | 30. | 30. | 60. |
| Carrier gas | He | He | He | He | He |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.32 | 0.25 | 0.32 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.5 | |
| Tstart (C) | 70. | 40. | 40. | 60. | 40. |
| Tend (C) | 220. | 230. | 230. | 180. | 250. |
| Heat rate (K/min) | 4. | 4. | 4. | 2. | 3. |
| Initial hold (min) | 4. | 2. | 2. | 5. | 2. |
| Final hold (min) | 5. | 5. | 15. | 30. | 10. |
| I | 1298. | 1304. | 1304. | 1286. | 1312. |
| Reference | Rawat, Gulati, et al., 2007 | Xu, Fan, et al., 2007 | Fan and Qian, 2006 | Osada and Shibamoto, 2006 | Wierda R.L., Fletcher G., et al., 2006 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | Carbowax 20M | DB-Wax | Stabilwax DA | DB-Wax | DB-Wax |
| Column length (m) | 50. | 30. | 60. | 60. | 30. |
| Carrier gas | Helium | He | Nitrogen | H2 | |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.32 | 0.32 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.5 | 0.50 | 0.5 |
| Tstart (C) | 40. | 50. | 40. | 35. | 40. |
| Tend (C) | 190. | 180. | 180. | 235. | 200. |
| Heat rate (K/min) | 4. | 3. | 5. | 2. | 4. |
| Initial hold (min) | 2. | 5. | 4. | 5. | |
| Final hold (min) | 30. | 40. | 30. | ||
| I | 1317. | 1270. | 1315. | 1309. | 1295. |
| Reference | de la Fuente, Martinez-Castro, et al., 2005 | Lee, Umano, et al., 2005 | Nogueira, Lubachevsky, et al., 2005 | Qian and Wang, 2005 | Culleré, Escudero, et al., 2004 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | TC-Wax | HP-FFAP | HP-Innowax | DB-Wax | DB-Wax |
| Column length (m) | 60. | 30. | 50. | 30. | 30. |
| Carrier gas | He | He | He | He | H2 |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.2 | 0.25 | 0.25 |
| Phase thickness (μm) | 0.5 | 0.25 | 0.2 | 0.25 | 0.5 |
| Tstart (C) | 40. | 40. | 45. | 50. | 50. |
| Tend (C) | 230. | 120. | 190. | 180. | 200. |
| Heat rate (K/min) | 3. | 5. | 4. | 3. | 3. |
| Initial hold (min) | 8. | 5. | 2. | 10. | |
| Final hold (min) | 3. | 50. | 40. | 10. | |
| I | 1294. | 1291. | 1310. | 1292. | 1292. |
| Reference | Ishikawa, Ito, et al., 2004 | López, Guzmán, et al., 2004 | Soria, Gonzalez, et al., 2004 | Yanagimoto, Ochi, et al., 2004 | Alves and Franco, 2003 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | DB-Wax | DB-Wax | TC-Wax | HP-Innowax | DB-Wax |
| Column length (m) | 30. | 30. | 60. | 50. | 30. |
| Carrier gas | He | He | He | ||
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.2 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.2 | 0.25 | |
| Tstart (C) | 40. | 50. | 80. | 45. | 30. |
| Tend (C) | 185. | 230. | 240. | 190. | 250. |
| Heat rate (K/min) | 4. | 3. | 3. | 4. | 4. |
| Initial hold (min) | 4. | 2. | 2. | 1. | |
| Final hold (min) | 20. | 20. | 50. | ||
| I | 1272. | 1278. | 1296. | 1296. | 1282. |
| Reference | Lee and Noble, 2003 | Lin, Cai, et al., 2003 | Miyazawa, Yamafuji, et al., 2003 | Soria, Martinez-Castro, et al., 2003 | Tanaka, Yamauchi, et al., 2003 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | DB-Wax | HP-FFAP | HP-FFAP | HP-FFAP | DB-Wax |
| Column length (m) | 30. | 25. | 25. | 25. | 30. |
| Carrier gas | He | He | He | H2 | |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.32 | 0.32 | 0.32 | 0.32 |
| Phase thickness (μm) | 0.25 | 0.5 | 0.5 | 0.5 | 0.5 |
| Tstart (C) | 30. | 45. | 45. | 45. | 40. |
| Tend (C) | 250. | 220. | 220. | 220. | 200. |
| Heat rate (K/min) | 4. | 15. | 15. | 15. | 4. |
| Initial hold (min) | 1. | 5. | |||
| Final hold (min) | |||||
| I | 1282. | 1295. | 1306. | 1307. | 1290. |
| Reference | Tanaka, Yamauchi, et al., 2003 | Wanakhachornkrai and Lertsiri, 2003 | Wanakhachornkrai and Lertsiri, 2003 | Wanakhachornkrai and Lertsiri, 2003 | Ferreira, Ortín, et al., 2002 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | FFAP | DB-Wax | DB-Wax | HP-Wax | DB-Wax |
| Column length (m) | 30. | 30. | 30. | 60. | 60. |
| Carrier gas | He | He | He | He | He |
| Substrate | |||||
| Column diameter (mm) | 0.32 | 0.25 | 0.25 | 0.25 | 0.25 |
| Phase thickness (μm) | 1. | 0.25 | 0.25 | 0.5 | 0.25 |
| Tstart (C) | 35. | 50. | 50. | 40. | 40. |
| Tend (C) | 240. | 220. | 220. | 190. | 200. |
| Heat rate (K/min) | 5. | 4. | 4. | 3. | 2. |
| Initial hold (min) | 3. | 4. | 4. | 6. | 2. |
| Final hold (min) | 20. | 20. | |||
| I | 1259. | 1274. | 1278. | 1307. | 1277. |
| Reference | Lecanu, Ducruet, et al., 2002 | Osorio, Duque, et al., 2002 | Osorio, Duque, et al., 2002 | Sanz, Maeztu, et al., 2002 | Umano, Hagi, et al., 2002 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | DB-Wax | EC-1000 | DB-Wax | HP-Wax | DB-Wax |
| Column length (m) | 30. | 30. | 30. | 60. | 30. |
| Carrier gas | H2 | He | H2 | He | He |
| Substrate | |||||
| Column diameter (mm) | 0.32 | 0.25 | 0.32 | 0.25 | 0.25 |
| Phase thickness (μm) | 0.5 | 0.25 | 0.5 | 0.5 | 0.25 |
| Tstart (C) | 40. | 35. | 40. | 40. | 50. |
| Tend (C) | 200. | 230. | 200. | 190. | 220. |
| Heat rate (K/min) | 4. | 5. | 4. | 3. | 4. |
| Initial hold (min) | 5. | 5. | 5. | 6. | 3. |
| Final hold (min) | 60. | 15. | 60. | ||
| I | 1291. | 1325. | 1291. | 1307. | 1236. |
| Reference | Aznar, López, et al., 2001 | Bendall, 2001 | Ferreira, Aznar, et al., 2001 | Sanz, Ansorena, et al., 2001 | Weckerle, Bastl-Borrmann, et al., 2001 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | DB-Wax | DB-Wax | DB-Wax | DB-Wax | DB-Wax |
| Column length (m) | 60. | 30. | 30. | 25. | 25. |
| Carrier gas | He | He | He | He | He |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.2 | 0.25 | 0.25 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | |
| Tstart (C) | 40. | 50. | 50. | 50. | 50. |
| Tend (C) | 200. | 180. | 180. | 200. | 200. |
| Heat rate (K/min) | 2. | 3. | 3. | 4. | 4. |
| Initial hold (min) | 8. | 4. | 4. | ||
| Final hold (min) | 40. | 10. | 10. | ||
| I | 1270. | 1320. | 1288. | 1278. | 1278. |
| Reference | Wei, Mura, et al., 2001 | Franco and Shibamoto, 2000 | Lee and Shibamoto, 2000 | Morales, Duque, et al., 2000 | Morales, Duque, et al., 2000 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | Carbowax 20M | DB-Wax | DB-Wax | DB-Wax | CP-Wax 52CB |
| Column length (m) | 30. | 30. | 30. | 60. | 50. |
| Carrier gas | Helium | He | He | H2 | |
| Substrate | |||||
| Column diameter (mm) | 0.32 | 0.25 | 0.25 | 0.32 | 0.32 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.22 | |
| Tstart (C) | 40. | 50. | 50. | 30. | 60. |
| Tend (C) | 230. | 240. | 240. | 170. | 190. |
| Heat rate (K/min) | 3. | 4. | 4. | 2. | 2. |
| Initial hold (min) | 3. | 3. | 3. | 4. | 4. |
| Final hold (min) | 10. | 10. | 60. | 21. | |
| I | 1284. | 1276. | 1278. | 1278. | 1236. |
| Reference | Neuser, Zorn, et al., 2000 | Parada, Duque, et al., 2000 | Parada, Duque, et al., 2000 | Buttery, Orts, et al., 1999 | Hwan and Chou, 1999 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | DB-Wax | DB-Wax | Carbowax 20M | DB-Wax | DB-Wax |
| Column length (m) | 30. | 30. | 60. | 60. | 60. |
| Carrier gas | He | He | |||
| Substrate | |||||
| Column diameter (mm) | 0.53 | 0.53 | 0.32 | 0.25 | 0.25 |
| Phase thickness (μm) | 0.5 | 0.25 | |||
| Tstart (C) | 60. | 60. | 40. | 40. | 30. |
| Tend (C) | 210. | 210. | 190. | 200. | 170. |
| Heat rate (K/min) | 4. | 4. | 2. | 2. | 2. |
| Initial hold (min) | 5. | 2. | 4. | ||
| Final hold (min) | 30. | ||||
| I | 1308. | 1302. | 1312. | 1280. | 1278. |
| Reference | Iwatsuki, Mizota, et al., 1999 | Iwatsuki, Mizota, et al., 1999 | Lopez, Ferreira, et al., 1999 | Umano, Nakahara, et al., 1999 | Buttery and Ling, 1998 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | DB-Wax | DB-Wax | DB-Wax | DB-Wax | PEG-20M |
| Column length (m) | 30. | 30. | 60. | 60. | 50. |
| Carrier gas | He | He | He | He | Nitrogen |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | ||
| Tstart (C) | 50. | 50. | 60. | 50. | 60. |
| Tend (C) | 240. | 240. | 180. | 200. | 180. |
| Heat rate (K/min) | 4. | 4. | 2. | 3. | 2. |
| Initial hold (min) | 3. | 3. | |||
| Final hold (min) | 10. | 10. | 40. | ||
| I | 1277. | 1278. | 1286. | 1287. | 1256. |
| Reference | Parada and Duque, 1998 | Parada and Duque, 1998 | Sekiwa, Kubota, et al., 1997 | Wada and Shibamoto, 1997 | Kubota, Matsujage, et al., 1996 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | DB-Wax | DB-Wax | DB-Wax | Supelcowax-10 | DB-Wax |
| Column length (m) | 30. | 30. | 30. | 60. | 60. |
| Carrier gas | He | He | He | He | He |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.32 | 0.25 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.5 | 0.25 | |
| Tstart (C) | 20. | 50. | 40. | 40. | 40. |
| Tend (C) | 200. | 200. | 210. | 200. | 200. |
| Heat rate (K/min) | 4. | 4. | 3. | 3. | 2. |
| Initial hold (min) | 4. | 4. | 1. | 3. | 2. |
| Final hold (min) | 10. | 10. | 25. | 30. | |
| I | 1261. | 1278. | 1275. | 1296. | 1277. |
| Reference | Morales, Albarracín, et al., 1996 | Morales, Albarracín, et al., 1996 | Pollak and Berger, 1996 | Wong and Lai, 1996 | Umano, Hagi, et al., 1995 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | Carbowax 20M | CP-Wax 52CB | Carbowax 20M | PEG-20M | DB-Wax |
| Column length (m) | 50. | 50. | 50. | 50. | 60. |
| Carrier gas | He | H2 | He | N2 | He |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.32 | 0.25 | 0.25 | 0.32 |
| Phase thickness (μm) | 0.22 | 0.25 | |||
| Tstart (C) | 60. | 50. | 60. | 60. | 30. |
| Tend (C) | 180. | 200. | 180. | 180. | 180. |
| Heat rate (K/min) | 2. | 2. | 2. | 2. | 2. |
| Initial hold (min) | 4. | 5. | 4. | 4. | |
| Final hold (min) | |||||
| I | 1266. | 1280.9 | 1266. | 1256. | 1267. |
| Reference | Kawakami, Kobayashi, et al., 1993 | Chyau, Chen, et al., 1992 | Kawakami and Kobayashi, 1991 | Kubota, Nakamoto, et al., 1991 | Takeoka and Butter, 1989 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | DB-Wax | DB-Wax | Carbowax 20M | Carbowax 20M | DB-Wax |
| Column length (m) | 60. | 60. | 50. | 50. | 60. |
| Carrier gas | He | He | N2 | N2 | H2 |
| Substrate | |||||
| Column diameter (mm) | 0.32 | 0.322 | 0.22 | 0.22 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | ||
| Tstart (C) | 30. | 50. | 80. | 80. | 30. |
| Tend (C) | 180. | 230. | 200. | 200. | 180. |
| Heat rate (K/min) | 2. | 4. | 3. | 3. | 2. |
| Initial hold (min) | 4. | 2. | |||
| Final hold (min) | |||||
| I | 1268. | 1282. | 1264. | 1268. | 1277. |
| Reference | Takeoka and Butter, 1989 | Engel, Flath, et al., 1988 | Mihara, Tateba, et al., 1988 | Mihara, Tateba, et al., 1988 | Takeoka, Flath, et al., 1988 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | DB-Wax | FFAP | FFAP | DB-Wax | Carbowax 20M |
| Column length (m) | 60. | 50. | 50. | 30. | 50. |
| Carrier gas | H2 | He | He | He | N2 |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.28 | 0.28 | 0.25 | 0.22 |
| Phase thickness (μm) | 0.25 | ||||
| Tstart (C) | 30. | 60. | 60. | 70. | 80. |
| Tend (C) | 180. | 240. | 240. | 160. | 200. |
| Heat rate (K/min) | 2. | 2. | 2. | 2. | 3. |
| Initial hold (min) | 2. | 5. | 5. | 8. | |
| Final hold (min) | |||||
| I | 1278. | 1250. | 1254. | 1286. | 1264. |
| Reference | Takeoka, Flath, et al., 1988 | Vernin, Metzger, et al., 1988 | Vernin, Metzger, et al., 1988 | Wong and Bernhard, 1988 | Mihara, Tateba, et al., 1987 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary |
|---|---|---|
| Active phase | Carbowax 20M | Carbowax 20M |
| Column length (m) | 50. | 150. |
| Carrier gas | N2 | |
| Substrate | ||
| Column diameter (mm) | 0.22 | 0.64 |
| Phase thickness (μm) | ||
| Tstart (C) | 80. | 50. |
| Tend (C) | 200. | 170. |
| Heat rate (K/min) | 3. | 1. |
| Initial hold (min) | ||
| Final hold (min) | 30. | |
| I | 1268. | 1250. |
| Reference | Mihara, Tateba, et al., 1987 | Buttery, Kamm, et al., 1984 |
| Comment | MSDC-RI | MSDC-RI |
References
Go To: Top, Normal alkane RI, polar column, temperature ramp, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Wanakhachornkrai and Lertsiri, 9999
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Charoensiddhi and Anprung, 2008
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Guo, L.; Wu, J.-Z.; Han, T.; Cao, T.; Rahman, K.; Qin, L.-P.,
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Soria, Sanz, et al., 2008
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Nebesny, Budryn, et al., 2007
Nebesny, E.; Budryn, G.; Kula, J.; Majda, T.,
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Povolo, Contarini, et al., 2007
Povolo, M.; Contarini, G.; Mele, M.; Secchiari, P.,
Study on the influence of pasture on volatile fraction of Ewes' dairy products by solid-phase microextraction and gas chromatography-mass spectrometry,
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Rawat, Gulati, et al., 2007
Rawat, R.; Gulati, A.; Babu, G.D.K.; Acharya, R.; Kaul, V.K.; Singh, B.,
Characterization of volatile components of Kangra orthodox black tea by gas chromatography-mass spectrometry,
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Xu, Fan, et al., 2007
Xu, Y.; Fan, W.; Qian, M.C.,
Characterization of Aroma Compounds in Apple Cider Using Solvent-Assisted Flavor Evaporation and Headspace Solid-Phase Microextraction,
J. Agric. Food Chem., 2007, 55, 8, 3051-3057, https://doi.org/10.1021/jf0631732
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Fan and Qian, 2006
Fan, W.; Qian, M.C.,
Characterization of Aroma Compounds of Chinese Wuliangye and Jiannanchun Liquors by Aroma Extract Dilution Analysis,
J. Agric. Food Chem., 2006, 54, 7, 2695-2704, https://doi.org/10.1021/jf052635t
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Osada and Shibamoto, 2006
Osada, Y.; Shibamoto, T.,
Antioxidative activity of volatile extracts from Maillard model systems,
Food Chem., 2006, 98, 3, 522-528, https://doi.org/10.1016/j.foodchem.2005.05.084
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Wierda R.L., Fletcher G., et al., 2006
Wierda R.L.; Fletcher G.; Xu L.; Dufour J.P.,
Analysis of volatile compounds as spoilage indicators in fresh king salmon (Oncorhynchus tshawytscha) during storage using SPME-GC-MS,
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de la Fuente, Martinez-Castro, et al., 2005
de la Fuente, E.; Martinez-Castro, I.; Sanz, J.,
Characterization of Spanish unifloral honeys by solid phase microextraction and gas chromatography-mass spectrometry,
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Lee, Umano, et al., 2005
Lee, S.-J.; Umano, K.; Shibamoto, T.; Lee, K.-G.,
Identification of volatile components in basil (Ocimum basilicum L.) and thyme leaves (Thymus vulgaris L.) and their antioxidant properties,
Food Chem., 2005, 91, 1, 131-137, https://doi.org/10.1016/j.foodchem.2004.05.056
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Nogueira, Lubachevsky, et al., 2005
Nogueira, M.C.L.; Lubachevsky, G.; Rankin, S.A.,
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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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
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Ishikawa, Ito, et al., 2004
Ishikawa, M.; Ito, O.; Ishizaki, S.; Kurobayashi, Y.; Fujita, A.,
Solid-phase aroma concentrate extraction (SPACE ): a new headspace technique for more sensitive analysis of volatiles,
Flavour Fragr. J., 2004, 19, 3, 183-187, https://doi.org/10.1002/ffj.1322
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López, Guzmán, et al., 2004
López, M.G.; Guzmán, G.R.; Dorantes, A.L.,
Solid-phase microextraction and gas chromatography-mass spectrometry of volatile compounds from avocado puree after microwave processing,
J. Chromatogr. A, 2004, 1036, 1, 87-90, https://doi.org/10.1016/j.chroma.2004.03.020
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Soria, Gonzalez, et al., 2004
Soria, A.C.; Gonzalez, M.; de Lorenzo, C.; Martinez-Castro, I.; Sanza, J.,
Characterization of artisanal honeys from Madrid (Central Spain) on the basis of their melissopalynological, physicochemical and volatile composition data,
Food Chem., 2004, 85, 1, 121-130, https://doi.org/10.1016/j.foodchem.2003.06.012
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Yanagimoto, Ochi, et al., 2004
Yanagimoto, K.; Ochi, H.; Lee, K.-G.; Shibamoto, T.,
Antioxidative activities of fractions obtained from brewed coffee,
J. Agric. Food Chem., 2004, 52, 3, 592-596, https://doi.org/10.1021/jf030317t
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Alves and Franco, 2003
Alves, G.L.; Franco, M.R.B.,
Headspace gas chromatography-mass spectrometry of volatile compounds in murici (Byrsonima crassifolia L. Rich),
J. Chromatogr. A, 2003, 985, 1-2, 297-301, https://doi.org/10.1016/S0021-9673(02)01398-5
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Lee and Noble, 2003
Lee, S.-J.; Noble, A.C.,
Characterization of odor-active compounds in Californian Chardonnay wines using GC-olfactometry and GC-mass spectrometry,
J. Agric. Food Chem., 2003, 51, 27, 8036-8044, https://doi.org/10.1021/jf034747v
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Lin, Cai, et al., 2003
Lin, P.; Cai, J.; Li, J.; Sang, W.; Su, Q.,
Constituents of the essential oil of Hemerocallis flava day lily,
Flavour Fragr. J., 2003, 18, 6, 539-541, https://doi.org/10.1002/ffj.1264
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Miyazawa, Yamafuji, et al., 2003
Miyazawa, M.; Yamafuji, C.; Kurose, K.; Ishikawa, Y.,
Volatile components of the rhizomes of Cirsium japonicum DC,
Flavour Fragr. J., 2003, 18, 1, 15-17, https://doi.org/10.1002/ffj.1135
. [all data]
Soria, Martinez-Castro, et al., 2003
Soria, A.C.; Martinez-Castro, I.; Sanz, J.,
Analysis of volatile composition of honey by solid phase microextraction and gas chromatographymass spectrometry,
J. Sep. Sci., 2003, 26, 9-10, 793-801, https://doi.org/10.1002/jssc.200301368
. [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]
Wanakhachornkrai and Lertsiri, 2003
Wanakhachornkrai, P.; Lertsiri, S.,
Analytical, nutritional, and clinical methods. Comparison of determination method for volatile compounds in Thai soy sauce,
Food Chem., 2003, 83, 4, 619-629, https://doi.org/10.1016/S0308-8146(03)00256-5
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Ferreira, Ortín, et al., 2002
Ferreira, V.; Ortín, N.; Escudero, A.; López, R.; Cacho, J.,
Chemical characterization of the aroma of grenache Rosé wines: aroma extract dilution analysis, quantitative determination, and sensory reconstitution studies,
J. Agric. Food Chem., 2002, 50, 14, 4048-4054, https://doi.org/10.1021/jf0115645
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Lecanu, Ducruet, et al., 2002
Lecanu, L.; Ducruet, V.; Jouquand, C.; Gratadoux, J.J.; Feigenbaum, A.,
Optimization of headspace solid-phase microextraction (SPME) for the odor analysis of surface-ripened cheese,
J. Agric. Food Chem., 2002, 50, 13, 3810-3817, https://doi.org/10.1021/jf0117107
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Osorio, Duque, et al., 2002
Osorio, C.; Duque, C.; Suarez, M.; Salamanca, L.E.; Uruena, F.,
Free, glycosidically bound, and phosphate bound flavor constituents of badea (Passiflora quadrangularis) fruit pulp,
J. Sep. Sci., 2002, 25, 3, 147-154, https://doi.org/10.1002/1615-9314(20020201)25:3<147::AID-JSSC147>3.0.CO;2-G
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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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Umano, Hagi, et al., 2002
Umano, K.; Hagi, Y.; Shibamoto, T.,
Volatile chemicals identified in extracts from newly hybrid citrus, dekopon (Shiranuhi mandarin Suppl. J.),
J. Agric. Food Chem., 2002, 50, 19, 5355-5359, https://doi.org/10.1021/jf0203951
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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
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Bendall, 2001
Bendall, J.G.,
Aroma compounds of fresh milk from New Zealand cows fed different diets,
J. Agric. Food Chem., 2001, 49, 10, 4825-4832, https://doi.org/10.1021/jf010334n
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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
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Sanz, Ansorena, et al., 2001
Sanz, C.; Ansorena, D.; Bello, J.; Cid, C.,
Optimizing headspace temperature and time sampling for identification of volatile compounds in ground roasted Arabica coffee,
J. Agric. Food Chem., 2001, 49, 3, 1364-1369, https://doi.org/10.1021/jf001100r
. [all data]
Weckerle, Bastl-Borrmann, et al., 2001
Weckerle, B.; Bastl-Borrmann, R.; Richling, E.; Hör, K.; Ruff, C.; Schreier, P.,
Cactus pear (Opuntia ficus indica) flavour constituents - chiral evaluation (MDGC-MS) and isotope ratio (HRGC-IRMS) analysis,
Flavour Fragr. J., 2001, 16, 5, 360-363, https://doi.org/10.1002/ffj.1012
. [all data]
Wei, Mura, et al., 2001
Wei, A.; Mura, K.; Shibamoto, T.,
Antioxidative activity of volatile chemicals extracted from beer,
J. Agric. Food Chem., 2001, 49, 8, 4097-4101, https://doi.org/10.1021/jf010325e
. [all data]
Franco and Shibamoto, 2000
Franco, M.R.B.; Shibamoto, T.,
Volatile composition of some Brazilian fruits: umbu-caja (Spondias citherea), camu-camu (Myrciaria dubia), araca-boi (Eugenia stipitata), and cupuacu (Theobroma grandiflorum),
J. Agric. Food Chem., 2000, 48, 4, 1263-1265, https://doi.org/10.1021/jf9900074
. [all data]
Lee and Shibamoto, 2000
Lee, K.-G.; Shibamoto, T.,
Antioxidant properties of aroma compounds isolated from soybeans and mung beans,
J. Agric. Food Chem., 2000, 48, 9, 4290-4293, https://doi.org/10.1021/jf000442u
. [all data]
Morales, Duque, et al., 2000
Morales, A.L.; Duque, C.; Bautista, E.,
Identification of free and glycosidically bound volatiles and glycosides by capillary GC and capillary GC-MS in Lulo del Chocó (Solanum topiro),
J. Hi. Res. Chromatogr., 2000, 23, 5, 379-385, https://doi.org/10.1002/(SICI)1521-4168(20000501)23:5<379::AID-JHRC379>3.0.CO;2-B
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Neuser, Zorn, et al., 2000
Neuser, F.; Zorn, H.; Berger, R.G.,
Generation of odorous acyloins by yeast pyruvate decarboxylases and their occurence in sherry and soy sauce,
J. Agric. Food Chem., 2000, 48, 12, 6191-6195, https://doi.org/10.1021/jf000535b
. [all data]
Parada, Duque, et al., 2000
Parada, F.; Duque, C.; Fujimoto, Y.,
Free and bound volatile composition and characterization of some glucoconjugates as aroma precursors in Melón de olor fruit pulp (Sicana odorifera),
J. Agric. Food Chem., 2000, 48, 12, 6200-6204, https://doi.org/10.1021/jf0007232
. [all data]
Buttery, Orts, et al., 1999
Buttery, R.G.; Orts, W.J.; Takeoka, G.R.; Nam, Y.,
Volatile flavor components of rice cakes,
J. Agric. Food Chem., 1999, 47, 10, 4353-4356, https://doi.org/10.1021/jf990140w
. [all data]
Hwan and Chou, 1999
Hwan, C.-H.; Chou, C.-C.,
Volatile components of the Chinese fermented soya bean curd as affected by the addition of ethanol in ageing solution,
J. Sci. Food Agric., 1999, 79, 2, 243-248, https://doi.org/10.1002/(SICI)1097-0010(199902)79:2<243::AID-JSFA179>3.0.CO;2-I
. [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]
Umano, Nakahara, et al., 1999
Umano, K.; Nakahara, K.; Shoji, A.; Shibamoto, T.,
Aroma chemicals isolated and identified from leaves of aloe arborescens Mill. Var. natalensis Berger,
J. Agric. Food Chem., 1999, 47, 9, 3702-3705, https://doi.org/10.1021/jf990116i
. [all data]
Buttery and Ling, 1998
Buttery, R.G.; Ling, L.C.,
Additional studies on flavor components of corn tortilla chips,
J. Agric. Food Chem., 1998, 46, 7, 2764-2769, https://doi.org/10.1021/jf980125b
. [all data]
Parada and Duque, 1998
Parada, F.; Duque, C.,
Studies on the aroma of piñuela fruit pulp (Bromelia plumieri): Free and bound volatile composition and characterization of some glucoconjugates as aroma precursors,
J. Hi. Res. Chromatogr., 1998, 21, 10, 577-581, https://doi.org/10.1002/(SICI)1521-4168(19981001)21:10<577::AID-JHRC577>3.0.CO;2-V
. [all data]
Sekiwa, Kubota, et al., 1997
Sekiwa, Y.; Kubota, K.; Kobayashi, A.,
Characteristic flavor components in the brew of cooked clam (Meretrix lusoria) and the effect of storage on flavor formation,
J. Agric. Food Chem., 1997, 45, 3, 826-830, https://doi.org/10.1021/jf960433e
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Wada and Shibamoto, 1997
Wada, K.; Shibamoto, T.,
Isolation and identification of volatile compounds from a wine using solid phase extraction, gas chromatography, and gas chromatography/mass spectrometry,
J. Agric. Food Chem., 1997, 45, 11, 4362-4366, https://doi.org/10.1021/jf970157j
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Kubota, Matsujage, et al., 1996
Kubota, K.; Matsujage, Y.; Sekiwa, Y.; Kobayashi, A.,
Identification of the characteristic volatile flavor compounds formed by cooking squid (Todarodes pacificus Steenstrup),
Food Sci. Technol., 1996, 2, 3, 163-166. [all data]
Morales, Albarracín, et al., 1996
Morales, A.L.; Albarracín, D.; Rodríguez, J.; Duque, C.; Riaño, L.E.; Espitia, J.,
Volatile constituents from Andes berry (Rubus glaucus Benth),
J. Hi. Res. Chromatogr., 1996, 19, 10, 585-587, https://doi.org/10.1002/jhrc.1240191011
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Pollak and Berger, 1996
Pollak, F.C.; Berger, R.G.,
Geosmin and Related Volatiles in Bioreactor-Cultured Streptomyces citreus CBS 109.60,
Appl. Environ. Microbiol., 1996, 62, 4, 1295-1299. [all data]
Wong and Lai, 1996
Wong, K.C.; Lai, F.Y.,
Volatile constituents from the fruits of four Syzygium species grown in Malaysia,
Flavour Fragr. J., 1996, 11, 1, 61-66, https://doi.org/10.1002/(SICI)1099-1026(199601)11:1<61::AID-FFJ539>3.0.CO;2-1
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Umano, Hagi, et al., 1995
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Notes
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