Thujone
- Formula: C10H16O
- Molecular weight: 152.2334
- IUPAC Standard InChI: InChI=1S/C10H16O/c1-6(2)10-4-8(10)7(3)9(11)5-10/h6-8H,4-5H2,1-3H3/t7-,8-,10+/m1/s1
- IUPAC Standard InChIKey: USMNOWBWPHYOEA-MRTMQBJTSA-N
- CAS Registry Number: 546-80-5
- Chemical structure:
This structure is also available as a 2d Mol file - Species with the same structure:
- Stereoisomers:
- Other names: Bicyclo[3.1.0]hexan-3-one, 4-methyl-1-(1-methylethyl)-, [1S-(1α,4α,5α)]-; α-Thujone; Thujone, cis; 3-Thujanone, (1S,4R,5R)-(-)-; Thujon; 3-Thujanone, (-)-; l-Thujone; 4-Methyl-1-(1-methylethyl)bicyclo[3.1.0]hexan-3-one-, (1S,4R,5R)-; 3-Thujone; cis-Thujone; (Z)-Thujone; (-)-Thujone; Bicyclo(3.1.0)hexan-3-one, 4-methyl-1-(1-methylethyl)-, (1S,4R,5R)-; NSC 93742; (1S,4R,5R)-1-Isopropyl-4-methylbicyclo[3.1.0]hexan-3-one; 1-Isopropyl-4-methylbicyclo[3.1.0]hexan-3-one
- Information on this page:
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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 | RESEARCH LABORATORY, STATE ALCOHOL MONOPOLY ALKO, HELSINKI, FINLAND; IRMA NYKANEN ET AL |
| NIST MS number | 77604 |
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 | SE-30 | 100. | 1085.1 | Tudor, 1997 | 40. m/0.35 mm/0.35 μm |
| Capillary | SE-30 | 100. | 1100.2 | Tudor, 1997 | 40. m/0.35 mm/0.35 μm |
Kovats' RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-5 | 1102. | Shatar S., 2005 | 3. K/min; Tstart: 60. C; Tend: 240. C |
| Capillary | DB-5 | 1100. | El-Ghorab, Fadel, et al., 2002 | 25. m/0.22 mm/0.25 μm, He, 3. K/min; Tstart: 60. C; Tend: 240. C |
| Capillary | DB-5 | 1110.3 | El-Massry, El-Ghorab, et al., 2002 | 30. m/0.25 mm/0.5 μm, 50. C @ 3. min, 7. K/min, 250. C @ 10. min |
| Capillary | CP Sil 5 CB | 1089. | Kasali, Adio, et al., 2002 | He, 3. K/min; Column length: 25. m; Column diameter: 0.25 mm; Tstart: 50. C; Tend: 230. C |
| Capillary | BP-1 | 1097. | Shawl, Srivastava, et al., 2002 | 30. m/0.32 mm/0.25 μm, N2, 5. K/min, 220. C @ 13. min; Tstart: 60. C |
| Capillary | HP-5 | 1101. | Tzakou and Couladis, 2001 | 30. m/0.25 mm/0.25 μm, He, 3. K/min; Tstart: 60. C; Tend: 280. C |
| Capillary | SE-54 | 1102. | Adams, 2000 | 30. m/0.26 mm/0.25 μm, 3. K/min; Tstart: 60. C; Tend: 246. C |
| Capillary | DB-5 | 1102. | Adams, 1999 | 30. m/0.26 mm/0.25 μm, He, 3. K/min; Tstart: 60. C; Tend: 246. C |
| Capillary | BPX-5 | 1101. | Fournier, Hadjiakhoondi, et al., 1997 | 50. m/0.22 mm/0.25 μm, N2, 60. C @ 10. min, 2. K/min; Tend: 185. C |
Kovats' RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-5MS | 1106. | Tuberoso, Kowalczyk, et al., 2005 | 30. m/0.25 mm/0.25 μm, He; Program: 60C(5min) => 2C/min => 140C= 5C/min => 250C(5min) |
| Capillary | BP-1 | 1090. | Dwivedi, Khan, et al., 2004 | 25. m/0.25 mm/0.25 μm, N2; Program: 60C => 5C/min => 220C(5min) => 3C/min => 245C(5min) |
| Capillary | DB-5MS | 1117. | Radulescu, Chiliment, et al., 2004 | 30. m/0.32 mm/0.25 μm, He; Program: 40C (3min) => 5C/min => 160C (2min) => 10C/min => 280C (10min) |
| Capillary | HP-5 | 1102. | Daferera, Ziogas, et al., 2003 | 30. m/0.25 mm/0.25 μm, He; Program: 40C (3min) => 3C/min => 180C => 30C/min => 270C (5min) |
| Capillary | OV-1 | 1081. | El-Shazly, Dorai, et al., 2002 | 30. m/0.25 mm/0.25 μm, He; Program: 44C(4min) => 3C/min => 74C => 6C/min => 134C => 12C/min => 312C |
Kovats' RI, polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | Supelcowax-10 | 1421. | Tzakou and Couladis, 2001 | 30. m/0.32 mm/0.25 μm, He, 3. K/min; Tstart: 75. C; Tend: 230. C |
Van Den Dool and Kratz RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | HP-5MS | 1105. | Kundakovic, Fokialakis, et al., 2007 | 30. m/0.25 mm/0.25 μm, He, 3. K/min; Tstart: 60. C; Tend: 280. C |
| Capillary | BP-1 | 1096. | Lesueur, de Rocca Serra, et al., 2007 | 50. m/0.22 mm/0.25 μm, He, 2. K/min, 220. C @ 20. min; Tstart: 60. C |
| Capillary | DB-5 | 1100. | Mahattanatawee K., Perez-Cacho P.R., et al., 2007 | 30. m/0.32 mm/0.5 μm, He, 7. K/min, 265. C @ 5. min; Tstart: 40. C |
| Capillary | HP-5MS | 1105. | Saroglou, Arfan, et al., 2007 | 30. m/0.25 mm/0.25 μm, He, 60. C @ 5. min, 4. K/min; Tend: 280. C |
| Capillary | HP-5MS | 1102. | Vagionas, Ngassapa, et al., 2007 | 30. m/0.25 mm/0.25 μm, He, 3. K/min; Tstart: 60. C; Tend: 280. C |
| Capillary | SPB-1 | 1113. | Blagojevic, Radulovic, et al., 2006 | 30. m/0.25 mm/0.25 μm, He, 50. C @ 3. min, 5. K/min, 250. C @ 15. min |
| Capillary | DB-5 | 1102. | Blagojevic, Radulovic, et al., 2006 | 30. m/0.2 mm/0.25 μm, He, 50. C @ 3. min, 5. K/min, 250. C @ 15. min |
| Capillary | CP Sil 5 CB | 1089. | Ziegenbein, Hanssen, et al., 2006 | H2, 10. K/min; Column length: 25. m; Column diameter: 0.25 mm; Tstart: 80. C; Tend: 270. C |
| Capillary | CP Sil 5 CB | 1089. | Ziegenbein, Hanssen, et al., 2006, 2 | 25. m/0.25 mm/0.4 μm, He, 10. K/min; Tstart: 80. C; Tend: 270. C |
| Capillary | RTX-1 | 1087. | Cozzani, Muselli, et al., 2005 | 60. m/0.22 mm/0.25 μm, 2. K/min, 220. C @ 20. min; Tstart: 60. C |
| Capillary | HP-5MS | 1102. | Pino, Mesa, et al., 2005 | 30. m/0.25 mm/0.25 μm, He, 60. C @ 2. min, 4. K/min, 250. C @ 20. min |
| Capillary | DB-5 | 1110. | Senatore, Napolitano, et al., 2005 | 30. m/0.25 mm/0.25 μm, He, 40. C @ 5. min, 2. K/min, 260. C @ 20. min |
| Capillary | BP-1 | 1069. | Gonny, Bradesi, et al., 2004 | 50. m/0.22 mm/0.25 μm, 2. K/min, 220. C @ 20. min; Tstart: 60. C |
| Capillary | HP-5 | 1107. | Javidnia, Miri, et al., 2004 | He, 3. K/min; Column length: 30. m; Column diameter: 0.25 mm; Tstart: 60. C; Tend: 260. C |
| Capillary | DB-5 | 1115. | Javidnia, Miri, et al., 2004, 2 | 30. m/0.25 mm/0.25 μm, He, 3. K/min; Tstart: 60. C; Tend: 260. C |
| Capillary | HP-5 | 1106. | Stashenko, Jaramillo, et al., 2004 | 50. m/0.2 mm/0.2 μm, He, 35. C @ 15. min, 3. K/min, 250. C @ 40. min |
| Capillary | HP-5 | 1102. | Karioti, Skaltsa, et al., 2003 | 30. m/0.25 mm/0.25 μm, He, 60. C @ 5. min, 4. K/min; Tend: 280. C |
| Capillary | HP-5 | 1106. | Tzakou, Couladis, et al., 2003 | 30. m/0.25 mm/0.25 μm, He, 3. K/min; Tstart: 60. C; Tend: 280. C |
| Capillary | HP-5 | 1112. | Aligiannis, Kalpoutzakis, et al., 2001 | 30. m/0.25 mm/0.25 μm, He, 60. C @ 5. min, 3. K/min; Tend: 280. C |
| Capillary | HP-5 | 1099. | Couladis, Tsortanidou, et al., 2001 | 30. m/0.25 mm/0.25 μm, He, 3. K/min; Tstart: 60. C; Tend: 380. C |
| Capillary | HP-5 | 1106. | Couladis, Tzakou, et al., 2001 | 30. m/0.25 mm/0.50 μm, He, 3. K/min; Tstart: 60. C; Tend: 280. C |
| Capillary | BPX-5 | 1124. | Zabaras and Wyllie, 2001 | 50. m/0.22 mm/0.25 μm, H2, 60. C @ 5. min, 4. K/min, 180. C @ 5. min |
| Capillary | DB-1 | 1097.4 | Helmig, Klinger, et al., 1999 | 60. m/0.32 mm/1. μm, -50. C @ 2. min, 6. K/min; Tend: 175. C |
| Capillary | DB-1 | 1091. | Muselli, Hoi, et al., 1999 | 30. m/0.25 mm/0.25 μm, 50. C @ 3. min, 3. K/min; Tend: 220. C |
| Capillary | HP-1 | 1099. | Stashenko, Cervantes, et al., 1999 | 60. m/0.25 mm/0.25 μm, He, 50. C @ 5. min, 2.5 K/min; Tend: 250. C |
| Capillary | OV-1 | 1083. | Bicchi, Rubiolo, et al., 1998 | 25. m/0.25 mm/0.3 μm, 50. C @ 1. min, 3. K/min, 200. C @ 20. min |
Van Den Dool and Kratz RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | HP-5MS | 1113.3 | Andriamaharavo, 2014 | 30. m/0.25 mm/0.25 μm, He; Program: 60C (1 min) => 5 C/min => 210C => 10 C/min => 280C (15 min) |
| Capillary | BPX-5 | 1121. | Cardeal, da Silva, et al., 2006 | 30. m/0.25 mm/0.25 μm; Program: 35C(5min) => 3C/min => 210C => 40C/min => 240C (4min) |
| Capillary | HP-5MS | 1102. | Akpulat, Tepe, et al., 2005 | 30. m/0.25 mm/0.25 μm, He; Program: 50C (3min) => 3C/min => 200C => 6C/min => 240C |
| Capillary | 5 % Phenyl methyl siloxane | 1102. | Sacchetti, Maietti, et al., 2005 | 30. m/0.32 mm/0.15 μm, He; Program: 45C => 1C/min => 100C => 5C/min => 250C (10min) |
| Capillary | SE-52 | 1108. | Mondello, Dugo, et al., 1995 | 60. m/0.32 mm/0.40 μm, He; Program: 45 C (6 min) 3 C/min -> 111 0C 2 C/min -> 160 C 3 C/min -> 300 C (15 min) |
Van Den Dool and Kratz RI, polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | HP-Innowax | 1435. | Kundakovic, Fokialakis, et al., 2007 | 30. m/0.25 mm/0.25 μm, He, 3. K/min; Tstart: 60. C; Tend: 280. C |
| Capillary | BP-20 | 1429. | Lesueur, de Rocca Serra, et al., 2007 | 50. m/0.22 mm/0.25 μm, He, 2. K/min, 220. C @ 20. min; Tstart: 60. C |
| Capillary | DB-Wax | 1438. | Mahattanatawee K., Perez-Cacho P.R., et al., 2007 | 30. m/0.32 mm/0.5 μm, He, 7. K/min, 240. C @ 5. min; Tstart: 40. C |
| Capillary | HP-20M | 1415. | Maksimovic, Vidic, et al., 2007 | 50. m/0.2 mm/0.2 μm, He, 70. C @ 4. min, 4. K/min, 180. C @ 10. min |
| Capillary | DB-Wax | 1431. | Choi, 2005 | 60. m/0.25 mm/0.25 μm, N2, 70. C @ 2. min, 2. K/min, 230. C @ 20. min |
| Capillary | RTX-Wax | 1412. | Cozzani, Muselli, et al., 2005 | 60. m/0.22 mm/0.25 μm, 2. K/min, 220. C @ 20. min; Tstart: 60. C |
| Capillary | BP-20 | 1399. | Gonny, Bradesi, et al., 2004 | 50. m/0.22 mm/0.25 μm, 2. K/min, 220. C @ 20. min; Tstart: 60. C |
| Capillary | HP-Innowax | 1422. | Tzakou, Couladis, et al., 2003 | 30. m/0.25 mm/0.5 μm, He, 3. K/min; Tstart: 60. C; Tend: 260. C |
| Capillary | HP-Innowax | 1422. | Couladis, Tzakou, et al., 2001 | 30. m/0.25 mm/0.50 μm, He, 3. K/min; Tstart: 60. C; Tend: 260. C |
| Capillary | DB-Wax | 1433. | Choi and Sawamura, 2000 | 60. m/0.25 mm/0.25 μm, N2, 70. C @ 2. min, 2. K/min, 230. C @ 20. min |
| Capillary | Carbowax 20M | 1420. | Bicchi, Rubiolo, et al., 1998 | 25. m/0.25 mm/0.3 μm, H2, 50. C @ 1. min, 3. K/min, 200. C @ 20. min |
| Capillary | Carbowax 20M | 1416. | Mondello, Dugo, et al., 1995 | 60. m/0.32 mm/0.425 μm, He, 45. C @ 3. min, 3. K/min, 300. C @ 20. min |
Normal alkane RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | HP-1 | 1112. | Alizadeh and Shaabani, 2012 | 30. m/0.25 mm/0.25 μm, Helium, 3. K/min; Tstart: 60. C; Tend: 240. C |
| Capillary | RTX-1 | 1089. | Bendiabdellah, El Amine Dib, et al., 2012 | 60. m/0.22 mm/0.25 μm, Helium, 2. K/min, 230. C @ 5. min; Tstart: 60. C |
| Capillary | HP-5 MS | 1102. | Jian-Yu, Zhu, et al., 2012 | 30. m/0.25 mm/0.25 μm, Helium, 40. C @ 1. min, 3. K/min, 250. C @ 3. min |
| Capillary | HP-5 MS | 1135. | Kadri, Zarai, et al., 2011 | 30. m/0.25 mm/0.25 μm, Helium, 35. C @ 3. min, 5. K/min, 250. C @ 10. min |
| Capillary | HP-5 MS | 1131. | Zarai, Kadri, et al., 2011 | 30. m/0.25 mm/0.25 μm, Helium, 30. C @ 3. min, 5. K/min, 250. C @ 10. min |
| Capillary | HP-5 | 1102. | Abderrahim, Belhamel, et al., 2010 | 30. m/0.25 mm/0.25 μm, Hydrogen, 50. C @ 5. min, 5. K/min, 250. C @ 5. min |
| Capillary | HP-5 MS | 1111. | Radulovic, Blagojevic, et al., 2010 | 30. m/0.25 mm/0.25 μm, Helium, 5. K/min, 290. C @ 10. min; Tstart: 70. C |
| Capillary | HP-5MS | 1114. | Zouari, Zouari, et al., 2010 | 30. m/0.25 mm/0.25 μm, Helium, 50. C @ 1. min, 7. K/min, 250. C @ 5. min |
| Capillary | DB-5 | 1102. | Alim, Goze, et al., 2009 | 30. m/0.25 mm/0.25 μm, Helium, 3. K/min; Tstart: 60. C; Tend: 240. C |
| Capillary | RTX-1 | 1087. | Museli, Pau, et al., 2009 | 60. m/0.22 mm/0.25 μm, Helium, 2. K/min, 230. C @ 30. min; Tstart: 60. C |
| Capillary | RTX-1 | 1089. | Museli, Pau, et al., 2009 | 60. m/0.22 mm/0.25 μm, Helium, 2. K/min, 230. C @ 30. min; Tstart: 60. C |
| Capillary | OV-1 | 1083. | Nibret and Wink, 2009 | 30. m/0.25 mm/0.25 μm, Helium, 40. C @ 2. min, 4. K/min, 300. C @ 10. min |
| Capillary | HP-5MS | 1104. | Bozin B., Mlmica-Dukic N., et al., 2007 | 30. m/0.25 mm/0.25 μm, He, 3. K/min; Tstart: 60. C; Tend: 280. C |
| Capillary | DB-5 | 1114. | Ghasemi, Yamini, et al., 2007 | 30. m/0.25 mm/0.25 μm, He, 60. C @ 3. min, 30. K/min; Tend: 210. C |
| Capillary | 5 % Phenyl methyl siloxane | 1104. | Gil A., Van Baren C.M., et al., 2007 | 60. m/0.25 mm/0.25 μm, He, 3. K/min, 225. C @ 15. min; Tstart: 90. C |
| Capillary | HP-1 | 1092. | Hachicha, Skanji, et al., 2007 | 30. m/0.25 mm/0.25 μm, He, 2. K/min, 240. C @ 20. min; Tstart: 60. C |
| Capillary | RTX-5 MS | 1107. | Hudaib and Aburjai, 2007 | 30. m/0.25 mm/0.25 μm, He, 3. K/min; Tstart: 45. C; Tend: 210. C |
| Capillary | SPB-1 | 1085. | Pinto, Salgueiro, et al., 2007 | 30. m/0.2 mm/0.2 μm, He, 3. K/min, 220. C @ 15. min; Tstart: 70. C |
| Capillary | DB-5 | 1102. | Sefidkon, Abbasi, et al., 2007 | 30. m/0.25 mm/0.25 μm, He, 4. K/min; Tstart: 50. C; Tend: 240. C |
| Capillary | HP-5MS | 1104. | Bozin, Mimicá-Dukic, et al., 2006 | 30. m/0.25 mm/0.25 μm, He, 3. K/min; Tstart: 60. C; Tend: 280. C |
| Capillary | HP-5 | 1108. | Figuérédo, Cabassu, et al., 2006 | 30. m/0.25 mm/0.25 μm, He, 50. C @ 5. min, 5. K/min, 300. C @ 5. min |
| Capillary | HP-1 | 1086. | Filippi, Lanfranchi, et al., 2006 | 50. m/0.2 mm/0.33 μm, He, 2. K/min, 250. C @ 40. min; Tstart: 60. C |
| Capillary | Methyl Silicone | 1096. | Kitchlu, Bakshi, et al., 2006 | 25. m/0.25 mm/0.25 μm, He, 90. C @ 2. min, 7. K/min; Tend: 220. C |
| Capillary | NB-30 | 1087. | Orav, Raal, et al., 2006 | 30. m/0.2 mm/0.25 μm, He, 2. K/min; Tstart: 50. C; Tend: 250. C |
| Capillary | DB-5 | 1101. | Sefidkon and Jamzad, 2006 | 30. m/0.25 mm/0.25 μm, He, 4. K/min; Tstart: 40. C; Tend: 240. C |
| Capillary | SPB-5 | 1102. | Stojanovic, Palic, et al., 2006 | He, 50. C @ 3. min, 5. K/min, 250. C @ 15. min |
| Capillary | SE-30 | 1100. | Ahuja, Bakshi, et al., 2005 | He, 90. C @ 2. min, 7. K/min; Column length: 30. m; Tend: 220. C |
| Capillary | DB-1 | 1103. | Cégiéla-Carlioz, Bessière, et al., 2005 | 25. m/0.25 mm/0.25 μm, He, 50. C @ 3. min, 3. K/min; Tend: 250. C |
| Capillary | DB-5 | 1105. | Chagonda and Chalchat, 2005 | 50. m/0.3 mm/0.25 μm, 2. K/min; Tstart: 60. C; Tend: 240. C |
| Capillary | DB-5 | 1100. | Khayyat and Karimi, 2005 | He, 3. K/min; Column length: 30. m; Column diameter: 0.32 mm; Tstart: 60. C; Tend: 240. C |
| Capillary | HP-5MS | 1102. | Petrakis, Roussis, et al., 2005 | 3. K/min; Column length: 30. m; Column diameter: 0.2 mm; Tstart: 60. C; Tend: 280. C |
| Capillary | DB-5 | 1101. | Sefidkon and Jamzad, 2005 | He, 4. K/min; Column length: 30. m; Column diameter: 0.25 mm; Tstart: 40. C; Tend: 240. C |
| Capillary | HP-5MS | 1105. | Slavkovska, Couladis, et al., 2005 | 30. m/0.25 mm/0.25 μm, He, 3. K/min; Tstart: 60. C; Tend: 280. C |
| Capillary | DB-5 | 1079. | Tzakou and Constantinidis, 2005 | 30. m/0.32 mm/0.25 μm, He, 3. K/min; Tstart: 60. C; Tend: 280. C |
| Capillary | SE-52 | 1102. | Cakir, Kordali, et al., 2004 | 25. m/0.32 mm/0.15 μm, N2, 45. C @ 5. min, 3. K/min, 200. C @ 30. min |
| Capillary | HP-5MS | 1096. | Hajhashemi V., Ghannadi A., et al., 2004 | 30. m/0.25 mm/0.25 μm, He, 4. K/min; Tstart: 60. C; Tend: 275. C |
| Capillary | HP-5MS | 1103. | Mimica-Dukic, Bozin, et al., 2004 | 30. m/0.25 mm/0.25 μm, He, 3. K/min; Tstart: 60. C; Tend: 280. C |
| Capillary | NB-30 | 1090. | Raal, Paaver, et al., 2004 | 50. m/0.20 mm/0.25 μm, He, 2. K/min; Tstart: 50. C; Tend: 250. C |
| Capillary | DB-5 | 1102. | Rohloff, Mordal, et al., 2004 | 30. m/0.25 mm/0.25 μm, He, 2.5 K/min, 220. C @ 6. min; Tstart: 35. C |
| Capillary | HP-5 | 1113. | Shafi, Nambiar, et al., 2004 | 25. m/0.2 mm/0.5 μm, N2, 3. K/min; Tstart: 30. C; Tend: 280. C |
| Capillary | DB-5 | 1100. | Tellez, Khan, et al., 2004 | 30. m/0.25 mm/0.25 μm, He, 3. K/min; Tstart: 60. C; Tend: 240. C |
| Capillary | DB-5 | 1112. | Cabanillas, Lopez, et al., 2003 | 30. m/0.25 mm/0.25 μm, He, 4. K/min; Tstart: 60. C; Tend: 240. C |
| Capillary | DB-1 | 1076. | Choi, 2003 | 60. m/0.25 mm/0.25 μm, He, 70. C @ 2. min, 2. K/min, 230. C @ 20. min |
| Capillary | Methyl Silicone | 1100. | Curini, Bianchi, et al., 2003 | He, 4. K/min; Column length: 12.5 m; Column diameter: 0.25 mm; Tstart: 50. C; Tend: 270. C |
| Capillary | DB-5 | 1102. | Juteau, Jerkovic, et al., 2003 | 50. m/0.2 mm/0.25 μm, He, 50. C @ 2. min, 3. K/min, 220. C @ 10. min |
| Capillary | HP-5 | 1091. | Pitarokili, Tzakou, et al., 2003 | 30. m/0.25 mm/0.25 μm, He, 3. K/min; Tstart: 60. C; Tend: 280. C |
| Capillary | DB-1 | 1084. | Pourmortazavi, Sefidkon, et al., 2003 | 60. m/0.25 mm/0.25 μm, He, 4. K/min; Tstart: 50. C; Tend: 250. C |
| Capillary | DB-1 | 1091. | Shahmir, Ahmadi, et al., 2003 | 60. m/0.25 mm/0.25 μm, He, 4. K/min; Tstart: 50. C; Tend: 280. C |
| Capillary | HP-5 | 1106. | Stashenko, Jaramillo, et al., 2003 | 60. m/0.25 mm/0.25 μm, 40. C @ 15. min, 5. K/min; Tend: 250. C |
| Capillary | HP-5 | 1102. | Velickovic, Randjelovic, et al., 2003 | 25. m/0.32 mm/0.53 μm, H2, 4. K/min; Tstart: 40. C; Tend: 280. C |
| Capillary | HP-5 | 1105. | Velickovic, Randjelovic, et al., 2003 | 25. m/0.32 mm/0.53 μm, H2, 4. K/min; Tstart: 40. C; Tend: 280. C |
| Capillary | SPB-5 | 1124. | Fontanille, le Flèche, et al., 2002 | 30. m/0.32 mm/0.25 μm, N2, 80. C @ 5. min, 20. K/min; Tend: 220. C |
| Capillary | PTE-5 | 1102. | Gudzic, Djokovic, et al., 2002 | 60. m/0.32 mm/0.30 μm, H2, 4.3 K/min; Tstart: 60. C; Tend: 285. C |
| Capillary | DB-5 | 1101. | Kobaisy, Tellez, et al., 2002 | 30. m/0.25 mm/0.25 μm, He, 3. K/min; Tstart: 60. C; Tend: 240. C |
| Capillary | DB-5 | 1110. | Krauze-Baranowska, Mardarowicz, et al., 2002 | 30. m/0.25 mm/0.25 μm, He, 35. C @ 2. min, 3. K/min, 280. C @ 15. min |
| Capillary | DB-1 | 1089. | Norouzi-Arasi, Yavari, et al., 2002 | 30. m/0.25 mm/0.25 μm, He, 60. C @ 10. min, 4. K/min; Tend: 250. C |
| Capillary | DB-5 | 1102. | Tellez, Khan, et al., 2002 | 30. m/0.25 mm/0.25 μm, He, 3. K/min; Tstart: 60. C; Tend: 240. C |
| Capillary | HP-5 | 1102. | Velickovic, Randjelovic, et al., 2002 | 30. m/0.25 mm/0.25 μm, H2, 4. K/min; Tstart: 40. C; Tend: 280. C |
| Capillary | DB-5MS | 1097. | Cherchi, Deidda, et al., 2001 | 30. m/0.25 mm/0.25 μm, He, 3. K/min; Tstart: 60. C; Tend: 240. C |
| Capillary | SPB-1 | 1086. | Chiasson, Bélanger, et al., 2001 | 30. m/0.25 mm/0.25 μm, He, 2. K/min; Tstart: 40. C; Tend: 240. C |
| Capillary | SPB-1 | 1083.4 | Chiasson, Bélanger, et al., 2001 | 30. m/0.25 mm/0.25 μm, He, 2. K/min; Tstart: 40. C; Tend: 240. C |
| Capillary | DB-5MS | 1110. | Fernando and Grün, 2001 | 60. m/0.25 mm/0.25 μm, He, 35. C @ 5. min, 3. K/min; Tend: 250. C |
| Capillary | HP-5 | 1105. | Gallori, Flamini, et al., 2001 | 30. m/0.25 mm/0.25 μm, N2, 60. C @ 10. min, 5. K/min; Tend: 220. C |
| Capillary | OV-101 | 1090. | Orav and Kann, 2001 | He, 2. K/min; Column length: 50. m; Column diameter: 0.2 mm; Tstart: 50. C; Tend: 250. C |
| Capillary | DB-5 | 1103. | Santos-Gomes and Fernandes-Ferreira, 2001 | 30. m/0.25 mm/0.25 μm, H2, 3. K/min; Tstart: 60. C; Tend: 285. C |
| Capillary | PTE-5 | 1102. | Stojanovic, Palic, et al., 2001 | 60. m/0.32 mm/0.3 μm, H2, 4.3 K/min; Tstart: 60. C; Tend: 285. C |
| Capillary | DB-5 | 1102. | Simic, Andjelkovic, et al., 2000 | 60. m/0.25 mm/0.30 μm, Hydrogen or helium (He2 wrote in original paper), 4.3 K/min; Tstart: 60. C; Tend: 285. C |
| Capillary | OV-1 | 1075. | Bicchi, Binello, et al., 1999 | 25. m/0.32 mm/0.30 μm, Hydrogen, 50. C @ 1. min, 3. K/min, 200. C @ 10. min |
| Capillary | DB-5 | 1095. | Porta, Porcedda, et al., 1999 | 30. m/0.25 mm/0.25 μm, He, 40. C @ 5. min, 2. K/min, 250. C @ 60. min |
| Capillary | HP-1 | 1099. | Stashenko, Cervantes, et al., 1998 | 60. m/0.25 mm/0.25 μm, He, 50. C @ 5. min, 4. K/min; Tend: 280. C |
| Capillary | HP-5 | 1117. | Collin, Deslauriers, et al., 1993 | 2. K/min; Tstart: 40. C; Tend: 210. C |
| Capillary | CP Sil 5 CB | 1087. | Kaul, Singh, et al., 1993 | 5. K/min; Column length: 25. m; Column diameter: 0.25 mm; Tstart: 60. C; Tend: 280. C |
| Capillary | DB-1 | 1085. | Perry, Baxter, et al., 1986 | 10. m/0.25 mm/0.25 μm, H2, 5. K/min; Tstart: 50. C; Tend: 250. C |
Normal alkane RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-1 | 1074. | Albano, Lima, et al., 2012 | 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 | RTX-1 | 1086. | Bendiabdellah, El Amine Dib, et al., 2012 | 60. m/0.22 mm/0.25 μm, Helium; Program: not specified |
| Capillary | HP-5 MS | 1105. | Sharopov, Sulaimonova, et al., 2012 | 30. m/0.25 mm/0.25 μm, Helium; Program: 40 0C (10 min) 3 0C/min -> 200 0C 2 0C/min -> 220 0C |
| Capillary | HP-5 MS | 1114. | Liu, Chu, et al., 2010 | 30. m/0.25 mm/0.25 μm, Helium; Program: 60 0C (1 min) 10 0C/min -> 180 0C (1 min) 20 0C/min -> 280 0C (15 min) |
| Capillary | HP-5 MS | 1105. | Mancini, Arnold, et al., 2009 | 30. m/0.25 mm/0.25 μm, Helium; Program: 40 0C (5 min) 2 0C/min -> 270 0C -> 260 0C (20 min) |
| Capillary | HP-5 | 1114. | Riahi, Pourbasheer, et al., 2009 | Column length: 30. m; Column diameter: 0.32 mm; Program: not specified |
| Capillary | SLB-5 MS | 1107. | Costa, De Fina, et al., 2008 | 30. m/0.25 mm/0.25 μm, Helium; Program: 50 0C 3 0C/min -> 250 0C (1 min) 10 0C/min -> 300 0C (5 min) |
| Capillary | SLB-5 MS | 1101. | Costa, De Fina, et al., 2008 | 30. m/0.25 mm/0.25 μm, Helium; Program: not specified |
| Capillary | BP-5 | 1105. | Hashemi, Abolghasemi, et al., 2007 | 30. m/0.32 mm/0.25 μm, He; Program: 60C => 4C/min => 150C => 10C/min => 220C |
| Capillary | DB-5 MS | 1102. | Haznagy-Radnai, Szigle, et al., 2007 | 30. m/0.25 mm/0.25 μm, Helium; Program: 60 0C 3 0C/min -> 210 0C 5 0C/min -> 250 0C |
| Capillary | BPX-5 | 1118. | Salamci, Kordali, et al., 2007 | 30. m/0.25 mm/0.25 μm, He; Program: 50C => 3C/min => 150C(10min) => 10C/min => 250C |
| Capillary | HP-5MS | 1105. | Formisano C., Senatore F., et al., 2006 | 30. m/0.25 mm/0.25 μm, He; Program: 40C(5min) => 2C/min => 250C(15min) => 10C/min => 270C |
| Capillary | CP Sil 8 CB | 1102. | Judzentiene and Buzelyte, 2006 | 50. m/0.32 mm/0.25 μm, He; Program: 60C(2min) => 5C/min => 160C(1min) => 10C/min => 250C (5min) |
| Capillary | HP-5MS | 1105. | Senatore, Apostolides Arnold, et al., 2006 | 30. m/0.25 mm/0.25 μm, He; Program: 40C(5min) => 2C/min => 250C (15min) => 10C/min => 270C |
| Capillary | SE-52 | 1102. | Tognolini, Barocelli, et al., 2006 | 30. m/0.32 mm/0.15 μm, He; Program: 45C => 1C/min => 100C => 5C/min => 250C (10min) |
| Capillary | CP Sil 8 CB | 1102. | Butkienë, Nivinskienë, et al., 2005 | 50. m/0.32 mm/0.25 μm, He; Program: 50C(5min) => 2C/min => 90C => 15C/min => 240C(4min) |
| Capillary | DB-5 | 1111. | Hamm, Bleton, et al., 2005 | 30. m/0.25 mm/0.25 μm, He; Program: 40C(1min) => 9C/min => 130C => 2C/min => 230C |
| Capillary | BPX-5 | 1102. | Judzentiene and Mockute, 2005 | 30. m/0.25 mm/0.25 μm; Program: 60C(0.2min) => 3K/min => 186C => 10C/min => 240C (5min) |
| Capillary | CP Sil 8 CB | 1102. | Judpentienë and Mockutë, 2004 | 50. m/0.32 mm/0.25 μm, He; Program: 60C(2min) => 5C/min => 160C(1min) => 10C/min => 250C (5min) |
| Capillary | HP-5 | 1105. | Senatore, Apostolides Arnold, et al., 2004 | 30. m/0.25 mm/0.25 μm; Program: 40C(5min) => 2C/min => 250C(15min) => 10C/min => 270C |
| Capillary | SE-30 | 1107. | Vinogradov, 2004 | Program: not specified |
| Capillary | SE-30 | 1088. | Vinogradov, 2004 | Program: not specified |
| Capillary | CP Sil 8 CB | 1102. | Mockute, Nivinskiene, et al., 2003 | 50. m/0.32 mm/0.25 μm, He; Program: 60C(1min) => 5C/min => 160C => 10C/min => 250C(5min) |
| Capillary | DB-1 | 1073. | Baratta, Dorman, et al., 1998 | 30. m/0.25 mm/0.25 μm, He; Program: 45C => 3C/min => 175C => 15C/min => 240C (10min) |
| Capillary | DB-5 | 1117. | Yusuf, Begum, et al., 1998 | 30. m/0.25 mm/0.25 μm, He; Program: 60C => 3C/min => 240C => 30C/min => 300C |
| Capillary | CP Sil 5 CB | 1091. | Weyerstahl, Marschall, et al., 1997 | N2; Column length: 30. m; Column diameter: 0.25 mm; Program: not specified |
| Capillary | Polydimethyl siloxanes | 1094. | Zenkevich, 1997 | Program: not specified |
| Capillary | DB-5 | 1113. | Jean, Garneau, et al., 1993 | Column length: 30. m; Column diameter: 0.25 mm; Program: not specified |
| Capillary | Methyl Silicone | 1086. | Grundschober, 1991 | Program: not specified |
| Capillary | OV-101 | 1084. | De Pooter, Vermeesch, et al., 1989 | Program: not specified |
| Packed | OV-101 | 1100. | Swigar and Silverstein, 1981 | N2, Chromosorb G 60-80mesh DMCS; Column length: 2.5 m; Program: not specified |
Normal alkane RI, polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | RTX-Wax | 1402. | Museli, Pau, et al., 2009 | 60. m/0.22 mm/0.25 μm, Helium, 2. K/min, 230. C @ 30. min; Tstart: 60. C |
| Capillary | PEG-20M | 1456. | Gil A., Van Baren C.M., et al., 2007 | 60. m/0.25 mm/0.25 μm, He, 3. K/min, 225. C @ 15. min; Tstart: 90. C |
| Capillary | HP-Innowax | 1435. | Hachicha, Skanji, et al., 2007 | 30. m/0.25 mm/0.25 μm, He, 2. K/min, 240. C @ 20. min; Tstart: 60. C |
| Capillary | Supelcowax-10 | 1425. | Pinto, Salgueiro, et al., 2007 | 30. m/0.2 mm/0.2 μm, He, 3. K/min, 220. C @ 15. min; Tstart: 70. C |
| Capillary | FFAP | 1441. | Kitchlu, Bakshi, et al., 2006 | 20. m/0.25 mm/0.25 μm, He, 6. K/min; Tstart: 90. C; Tend: 250. C |
| Capillary | NB-20M | 1418. | Orav, Raal, et al., 2006 | 30. m/0.2 mm/0.25 μm, He, 2. K/min; Tstart: 50. C; Tend: 250. C |
| Capillary | DB-Wax | 1434. | 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 | 1438. | Choi, 2004, 2 | 60. m/0.25 mm/0.25 μm, N2, 70. C @ 2. min, 2. K/min, 230. C @ 20. min |
| Capillary | SW-10 | 1424. | Raal, Paaver, et al., 2004 | 50. m/0.20 mm/0.25 μm, He, 2. K/min; Tstart: 50. C; Tend: 230. C |
| Capillary | Supelcowax-10 | 1398. | Cabanillas, Lopez, et al., 2003 | 30. m/0.25 mm/0.25 μm, He, 4. K/min; Tstart: 60. C; Tend: 240. C |
| Capillary | HP-20M | 1401. | Juteau, Jerkovic, et al., 2003 | 50. m/0.2 mm/0.2 μm, He, 70. C @ 4. min, 4. K/min, 180. C @ 10. min |
| Capillary | Innowax | 1430. | Suleimenov, Atazharova, et al., 2003 | He, 60. C @ 10. min, 4. K/min, 220. C @ 10. min; Column length: 60. m; Column diameter: 0.25 mm |
| Capillary | Supelcowax | 1380. | Chiasson, Bélanger, et al., 2001 | 30. m/0.25 mm/0.25 μm, He, 2. K/min; Tstart: 40. C; Tend: 240. C |
| Capillary | PEG-20M | 1417. | Orav and Kann, 2001 | He, 2. K/min; Column length: 50. m; Column diameter: 0.2 mm; Tstart: 70. C; Tend: 220. C |
| Capillary | DB-Wax | 1417. | Umano, Hagi, et al., 2000 | 60. m/0.25 mm/0.25 μm, He, 40. C @ 2. min, 2. K/min; Tend: 200. C |
| Capillary | CW 20M | 1404. | Bicchi, Binello, et al., 1999 | 25. m/0.32 mm/0.25 μm, Hydrogen, 50. C @ 1. min, 3. K/min, 220. C @ 10. min |
| Capillary | TC-Wax | 1444. | 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 | Supelcowax-10 | 1427. | Collin, Deslauriers, et al., 1993 | 40. C @ 2. min, 2. K/min, 210. C @ 120. min |
| Capillary | DB-Wax | 1416. | Perry, Baxter, et al., 1986 | 30. m/0.25 mm/0.25 μm, H2, 5. K/min; Tstart: 50. C; Tend: 250. C |
| Packed | Carbowax 20M | 1465. | Stancher and Pertoldi, 1967 | Hydrogen, Gas-Chrom Z (80-100 mesh), 4. K/min; Column length: 2. m; Tstart: 65. C; Tend: 220. C |
Normal alkane RI, polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | Innowax FSC | 1430. | Polatoglu, Demirci, et al., 2010 | 60. m/0.25 mm/0.25 μm, Helium; Program: 60 0C (10 min) 4 0C/min -> 220 0C (10 min) 1 0C/min -> 240 0C |
| Capillary | Innowax FSC | 1430. | Baser, Demirci, et al., 2009 | 60. m/0.25 mm/0.25 μm, Helium; Program: 60 0C (10 min) 4 0C/min -> 220 0C (10 min) 1 0C/min -> 240 0C |
| Capillary | CP-Wax 52 CB | 1426. | Genisheva and Oliveira, 2009 | 50. m/0.25 mm/0.20 μm, Helium; Program: 60 0C (5 min) 3 0C/min -> 250 0C (20 min) 1 0C/min -> 255 0C |
| Capillary | HP Innowax | 1430. | Mancini, Arnold, et al., 2009 | 50. m/0.20 mm/0.25 μm, Helium; Program: 40 0C (5 min) 2 0C/min -> 270 0C -> 260 0C (20 min) |
| Capillary | Carbowax 20M | 1420. | Hudaib and Aburjai, 2007 | 30. m/0.25 mm/0.25 μm, He; Program: not specified |
| Capillary | HP-Innowax | 1430. | Senatore, Apostolides Arnold, et al., 2006 | 50. m/0.2 mm/0.2 μm, He; Program: 40C(5min) => 2C/min => 250C (15min) => 10C/min => 270C |
| Capillary | HP-Innowax FSC | 1430. | Suleimenov Y.M., Atazhanova G.A., et al., 2006 | 60. m/0.25 mm/0.25 μm, He; Program: 60(10min) => 4C/min => 220C(10min) => 1C/min => 240C |
| Capillary | HP-Innowax FSC | 1437. | Demirci, Demirci, et al., 2005 | 60. m/0.25 mm/0.25 μm, N2; Program: 60C(10min) => 4C/min => 220C (10min) => 1C/min => 240C |
| Capillary | HP-Innowax | 1430. | Senatore, Apostolides Arnold, et al., 2004 | 50. m/0.2 mm/0.2 μm; Program: not specified |
| Capillary | Carbowax 20M | 1477. | Vinogradov, 2004 | Program: not specified |
| Capillary | Carbowax 20M | 1405. | Vinogradov, 2004 | Program: not specified |
| Capillary | Innowax FSC | 1430. | Baser, Demirci, et al., 2003 | 60. m/0.25 mm/0.25 μm, He; Program: 60C(10min) => 4C/min => 220C (10min) => 1C/min => 240C |
| Capillary | HP-Innowax FSC | 1430. | Demirci, Baser, et al., 2003 | 60. m/0.25 mm/0.25 μm, He; Program: 60C (10min) => 4C/min => 220C (10min) => 1C/min => 240C |
| Capillary | HP-Innowax FSC | 1437. | Hüsnü Can Baser, Demirci, et al., 2002 | 60. m/0.25 mm/0.25 μm, N2; Program: 60C(10min) => 4C/min => 220C(10min) => 1C/min => 240C |
| Capillary | Innowax FSC | 1438. | Tunalier, Kirimer, et al., 2002 | 60. m/0.25 mm/0.25 μm; Program: 60C(10min) => 4C/min => 220C(10min) => 1C/min => 240C |
| Capillary | HP-Innowax | 1430. | Baser, Demirci, et al., 2001 | 60. m/0.25 mm/0.25 μm, He; Program: 60 0C (10 min) 10 K/min -> 220 0C (10 min) 1K/min -> 240 0C |
| Capillary | HP-Innowax | 1430. | Gören, Demirci, et al., 2001 | 60. m/0.25 mm/0.25 μm, He; Program: 60 0C (10 min) 4 K/min -> 220 0C (10 min) 1 K/min -> 240 0C |
| Capillary | Innowax FSC | 1430. | Tabanca N., Demirci F., et al., 2001 | 60. m/0.25 mm/0.25 μm, He; Program: 60C(10min) => 4C/min => 220C(10min) => 1C/min => 240C |
| Capillary | NB-351 | 1446. | Kerrola, Galambosi, et al., 1994 | 25. m/0.32 mm/0.2 μm; Program: 40C(5min) => 4C/min => 170C => 8C/min => 240C (12min) |
| Capillary | Supelcowax-10 | 1435. | Jean, Garneau, et al., 1993 | Column length: 30. m; Column diameter: 0.25 mm; Program: not specified |
| Capillary | Polyethylene Glycol | 1420. | Grundschober, 1991 | Program: not specified |
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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Flavour Fragr. J., 2001, 16, 3, 195-200, https://doi.org/10.1002/ffj.977
. [all data]
Gören, Demirci, et al., 2001
Gören, N.; Demirci, B.; Baser, K.H.C.,
Composition of the essential oils of Tanacetum spp. from Turkey,
Flavour Fragr. J., 2001, 16, 3, 191-194, https://doi.org/10.1002/ffj.976
. [all data]
Tabanca N., Demirci F., et al., 2001
Tabanca N.; Demirci F.; Ozek T.; Tumen G.; Baser K.H.C.,
Composition and antimicrobial activity of the essential oil of Origanum x dolichosiphon P. H. Davis,
Chem. Nat. Compd. (Engl. Transl.), 2001, 37, 3, 238-241, https://doi.org/10.1023/A:1012513922871
. [all data]
Kerrola, Galambosi, et al., 1994
Kerrola, K.; Galambosi, B.; Kallio, H.,
Volatile components and odor intensity of four phenotypes of hyssop (Hyssopus officinalis L.),
J. Agric. Food Chem., 1994, 42, 3, 776-781, https://doi.org/10.1021/jf00039a035
. [all data]
Notes
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- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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