Bicyclo[3.1.0]hexan-3-one, 4-methyl-1-(1-methylethyl)-, [1S-(1α,4β,5α)]-
- 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-HUWCLSLFSA-N
- CAS Registry Number: 471-15-8
- 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: β-Thujone; Isothujone; 3-Thujanone, (1S,4S,5R)-(+)-; (+)-Isothujone; D-β-Thujone; D-Isothujone; Thujone, (+)-; (+)-Thujone; (+)-β-Thujone; 1-Isopropyl-4-methylbicyclo[3.1.0]hexan-3-one-, (1S,4S,5R)-; (E)-Thujone; Thujone trans; trans-Thujone; cis-Thujone (CAS); NSC 67392; (1S,4S,5R)-1-Isopropyl-4-methylbicyclo[3.1.0]hexan-3-one; 7785-59-3; 33766-29-9; cis-Thujone; trans-thujone (β-thujone); (d) 1-isopropyl-4-methylbicyclo[3.1.0]hexan-3-one (thujone)
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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 | TNO Volatile Compounds in Food - Chemical Concepts |
| NIST MS number | 249064 |
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, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-5 | 1114. | Adams, González Elizondo, et al., 2006 | 30. m/0.26 mm/0.25 μm, He, 3. K/min; Tstart: 60. C; Tend: 246. C |
| Capillary | DB-5MS | 1119. | Angioni, Barra, et al., 2006 | 30. m/0.25 mm/0.25 μm, He, 3. K/min, 180. C @ 15. min; Tstart: 60. C |
| Capillary | DB-5 | 1114. | Lucero, Fredrickson, et al., 2006 | 30. m/0.25 mm/0.25 μm, He, 3. K/min; Tstart: 60. C |
| Capillary | DB-5 | 1114. | Shatar S., 2005 | 3. K/min; Tstart: 60. C; Tend: 240. C |
| Capillary | DB-5 | 1115. | Amparo Blázquez, Pérez, et al., 2003 | He, 40. C @ 5. min, 3. K/min, 280. C @ 5. min; Column length: 25. m; Column diameter: 0.25 mm |
| Capillary | HP-5 | 1110. | Özcan, Tzakou, et al., 2003 | 30. m/0.25 mm/0.25 μm, He, 3. K/min; Tstart: 60. C; Tend: 280. C |
| Capillary | BP-1 | 1115. | Raina, Srivastava, et al., 2002 | 25. m/0.32 mm/0.25 μm, N2, 5. K/min, 220. C @ 15. min; Tstart: 60. C |
| Capillary | HP-5 | 1112. | 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 | 1114. | Adams, 2000 | 30. m/0.26 mm/0.25 μm, He, 3. K/min; Tstart: 60. C; Tend: 246. C |
| Capillary | DB-5 | 1114. | Adams, 2000, 2 | 30. m/0.26 mm/0.25 μm, He, 3. K/min; Tstart: 60. C; Tend: 240. C |
| Capillary | SE-54 | 1114. | Adams, 2000, 3 | 30. m/0.26 mm/0.25 μm, 3. K/min; Tstart: 60. C; Tend: 246. C |
| Capillary | DB-5 | 1114. | Adams, 2000, 4 | 30. m/0.26 mm/0.25 μm, He, 3. K/min; Tstart: 60. C; Tend: 246. C |
| Capillary | DB-5 | 1114. | Adams, 1999 | 30. m/0.26 mm/0.25 μm, He, 3. K/min; Tstart: 60. C; Tend: 246. C |
| Capillary | DB-5 | 1122. | Loayza, Abujder, et al., 1995 | 40. C @ 2. min, 2. K/min, 210. C @ 120. min; Column length: 30. m |
Kovats' RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-5MS | 1117. | 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 | DB-5MS | 1127. | 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 | OV-1 | 1093. | 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 |
| Capillary | DB-5 | 1114. | Adams, 1998 | 30. m/0.26 mm/0.25 μm; Program: not specified |
Kovats' RI, polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | Supelcowax-10 | 1441. | 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 | DB-5 | 1115. | Flamini, Cioni, et al., 2007 | 30. m/0.25 mm/0.25 μm, He, 3. K/min; Tstart: 60. C; Tend: 240. C |
| Capillary | HP-5MS | 1110. | Kundakovic, Fokialakis, et al., 2007 | 30. m/0.25 mm/0.25 μm, He, 3. K/min; Tstart: 60. C; Tend: 280. C |
| Capillary | HP-5MS | 1112. | Saroglou, Marin, et al., 2007 | 30. m/0.25 mm/0.25 μm, He, 60. C @ 5. min, 4. K/min; Tend: 280. C |
| Capillary | ZB-5 | 1115. | Simoniatto, Bonani, et al., 2007 | 30. m/0.25 mm/0.25 μm, He, 3. K/min; Tstart: 50. C; Tend: 250. C |
| Capillary | HP-5MS | 1103. | 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 | 1123. | 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 | 1114. | 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 | HP-5MS | 1116. | Saroglou, Dorizas, et al., 2006 | 30. m/0.25 mm/0.25 μm, He, 60. C @ 5. min, 4. K/min; Tend: 280. C |
| Capillary | RTX-1 | 1100. | Cozzani, Muselli, et al., 2005 | 60. m/0.22 mm/0.25 μm, 2. K/min, 220. C @ 20. min; Tstart: 60. C |
| Capillary | DB-5 | 1101. | 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 | SPB-1 | 1089. | Antunes, Sevinate-Pinto, et al., 2004 | 30. m/0.25 mm/0.25 μm, He, 3. K/min, 220. C @ 15. min; Tstart: 70. C |
| Capillary | HP-5 | 1116. | Javidnia, Miri, et al., 2004 | 30. m/0.25 mm/0.25 μm, He, 3. K/min; Tstart: 60. C; Tend: 260. C |
| Capillary | HP-5 | 1116. | Flamini, Luigi Cioni, et al., 2003 | 30. m/0.25 mm/0.25 μm, N2, 60. C @ 10. min, 5. K/min; Tend: 220. C |
| Capillary | HP-5 | 1114. | 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 | 1114. | Tsiri, Kretsi, et al., 2003 | 30. m/0.25 mm/0.25 μm, He, 3. K/min; Tstart: 60. C; Tend: 280. C |
| Capillary | HP-5 | 1114. | Tsiri, Kretsi, et al., 2003 | 30. m/0.25 mm/0.25 μm, He, 3. K/min; Tstart: 60. C; Tend: 280. C |
| Capillary | HP-5 | 1115. | 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-5MS | 1116. | Couladis, Chinou, et al., 2002 | 30. m/0.25 mm/0.25 μm, He, 3. K/min; Tstart: 60. C; Tend: 300. C |
| Capillary | HP-5 | 1111. | 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 | 1115. | Couladis, Tzakou, et al., 2001 | 30. m/0.25 mm/0.50 μm, He, 3. K/min; Tstart: 60. C; Tend: 280. C |
| Capillary | HP-5MS | 1114. | Giamakis, Kretsi, et al., 2001 | 30. m/0.25 mm/0.25 μm, He, 60. C @ 5. min, 3. K/min; Tend: 280. C |
| Capillary | HP-5MS | 1115. | Skaltsa, Mavrommati, et al., 2001 | 30. m/0.25 mm/0.25 μm, He, 60. C @ 5. min, 4. K/min; Tend: 280. C |
| Capillary | BPX-5 | 1135. | 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 | 1108.3 | 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 | 1092. | Mirza and Sefidkon, 1999 | 60. m/0.25 mm/0.25 μm, He, 4. K/min; Tstart: 50. C; Tend: 220. C |
| Capillary | OV-1 | 1092. | Bicchi, Rubiolo, et al., 1998 | 25. m/0.25 mm/0.3 μm, 50. C @ 1. min, 3. K/min, 200. C @ 20. min |
| Capillary | DB-5 | 1116. | Isidorov, Zenkevich, et al., 1998 | 30. m/0.25 mm/0.25 μm, 3. K/min; Tstart: 50. C; Tend: 250. C |
Van Den Dool and Kratz RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | HP-5MS | 1121.3 | 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 | 1126. | 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 | 1114. | 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 | 1114. | Sacchetti, Maietti, et al., 2005 | 30. m/0.32 mm/0.15 μm, He; Program: 45C => 1C/min => 100C => 5C/min => 250C (10min) |
Van Den Dool and Kratz RI, polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | HP-Innowax | 1451. | Kundakovic, Fokialakis, et al., 2007 | 30. m/0.25 mm/0.25 μm, He, 3. K/min; Tstart: 60. C; Tend: 280. C |
| Capillary | HP-20M | 1426. | 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 | RTX-Wax | 1426. | 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-20M | 1413. | Jerkovic, Mastelic, et al., 2003 | 50. m/0.2 mm/0.2 μm, He, 70. C @ 4. min, 4. K/min, 180. C @ 10. min |
| Capillary | HP-Innowax | 1442. | Tzakou, Couladis, et al., 2003 | 30. m/0.25 mm/0.5 μm, He, 3. K/min; Tstart: 60. C; Tend: 260. C |
| Capillary | Innowax | 1442. | Couladis, Chinou, et al., 2002 | 30. m/0.25 mm/0.5 μm, He, 3. K/min, 260. C @ 10. min; Tstart: 60. C |
| Capillary | HP-Innowax | 1442. | 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 | 1449. | 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 | 1446. | 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 |
Normal alkane RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | HP-1 | 1115. | Alizadeh and Shaabani, 2012 | 30. m/0.25 mm/0.25 μm, Helium, 3. K/min; Tstart: 60. C; Tend: 240. C |
| Capillary | Optima-5 | 1116. | Al-Qudah, Muhaidat, et al., 2012 | 30. m/0.25 mm/0.25 μm, Helium, 60. C @ 1. min, 3. K/min; Tend: 246. C |
| Capillary | HP-5 MS | 1114. | 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 | 1102. | Velickovic, Ristic, et al., 2012 | 25. m/0.32 mm/0.52 μm, Hydrogen, 4. K/min, 280. C @ 10. min; Tstart: 40. C |
| Capillary | HP-5 | 1103. | Velickovic, Ristic, et al., 2012 | 25. m/0.32 mm/0.52 μm, Hydrogen, 4. K/min, 280. C @ 10. min; Tstart: 40. C |
| Capillary | HP-5 | 1103. | Velickovic, Ristic, et al., 2012 | 25. m/0.32 mm/0.52 μm, Hydrogen, 4. K/min, 280. C @ 10. min; Tstart: 40. C |
| Capillary | HP-5 | 1112. | Velickovic, Ristic, et al., 2012 | 25. m/0.32 mm/0.52 μm, Hydrogen, 4. K/min, 280. C @ 10. min; Tstart: 40. C |
| Capillary | HP-5 | 1112. | Velickovic, Ristic, et al., 2012 | 25. m/0.32 mm/0.52 μm, Hydrogen, 4. K/min, 280. C @ 10. min; Tstart: 40. C |
| Capillary | HP-5 | 1112. | Velickovic, Ristic, et al., 2012 | 25. m/0.32 mm/0.52 μm, Hydrogen, 4. K/min, 280. C @ 10. min; Tstart: 40. C |
| Capillary | HP-5 MS | 1148. | 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 | Methylsiloxane + 5 % Ph-groups | 1089. | Nadim, Malik, et al., 2011 | 30. m/0.25 mm/0.25 μm, Helium, 60. C @ 2. min, 7. K/min, 230. C @ 20. min |
| Capillary | ZB-5 | 1082. | Vazques, Aimar, et al., 2011 | 30. m/0.25 mm/0.25 μm, Nitrogen, 40. C @ 5. min, 5. K/min; Tend: 200. C |
| Capillary | ZB-5 | 1082. | Vazquez, Demmel, et al., 2011 | 30. m/0.25 mm/0.25 μm, Nitrogen, 40. C @ 5. min, 5. K/min, 200. C @ 5. min |
| Capillary | HP-5 | 1114. | 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 | 1121. | 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 | 1124. | 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 | 1112. | El-Massry, El-Ghorab, et al., 2009 | 30. m/0.25 mm/0.25 μm, Helium, 3. K/min, 220. C @ 40. min; Tstart: 35. C |
| Capillary | DB-5 | 1102. | Kazemi and Akhavani, 2009 | 50. m/0.20 mm/0.32 μm, Nitrogen, 60. C @ 3. min, 5. K/min; Tend: 220. C |
| Capillary | DB-5 | 1114. | Kazemi and Akhavani, 2009 | 50. m/0.20 mm/0.32 μm, Nitrogen, 60. C @ 3. min, 5. K/min; Tend: 220. C |
| Capillary | RTX-1 | 1093. | 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 | 1103. | 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 | 5 % Phenyl methyl siloxane | 1113. | Retta, Gattuso, et al., 2009 | 60. m/0.25 mm/0.25 μm, Helium, 3. K/min, 225. C @ 3. min; Tstart: 90. C |
| Capillary | Ultra 2 | 1099. | Byun and Shin, 2008 | 50. m/0.20 mm/0.11 μm, Helium, 60. C @ 5. min, 2. K/min, 230. C @ 30. min |
| Capillary | SLB-5 MS | 1119. | Lo Presti, Sciarrone, et al., 2008 | 30. m/0.25 mm/0.25 μm, Helium, 50. C @ 2. min, 3. K/min, 250. C @ 10. min |
| Capillary | HP-5 MS | 1114. | Adams, Beauchamp, et al., 2007 | 30. m/0.25 mm/0.25 μm, Helium, 50. C @ 10. min, 3. K/min, 230. C @ 10. min |
| Capillary | HP-5MS | 1114. | 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 | DBP-5 | 1089. | Heravi and Sereshti, 2007 | 25. m/0.25 mm/0.22 μm, Helium, 40. C @ 1. min, 3. K/min, 250. C @ 10. min |
| Capillary | RTX-5 MS | 1119. | 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 | 1096. | 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 | 1114. | Sefidkon, Abbasi, et al., 2007 | 30. m/0.25 mm/0.25 μm, He, 4. K/min; Tstart: 50. C; Tend: 240. C |
| Capillary | DBP-5 | 1089. | Sereshti and Samadi, 2007 | 25. m/0.25 mm/0.22 μm, Helium, 40. C @ 1. min, 3. K/min, 250. C @ 10. min |
| Capillary | HP-5 MS | 1114. | Vagionas, Graikou, et al., 2007 | 30. m/0.25 mm/0.25 μm, Helium, 3. K/min; Tstart: 60. C; Tend: 280. C |
| Capillary | HP-5MS | 1114. | 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-5MS | 1117. | Ebrahim Sajjadi and Mehregan, 2006 | 30. m/0.25 mm/0.25 μm, 4. K/min; Tstart: 60. C; Tend: 280. C |
| Capillary | HP-5 | 1119. | 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 | 1097. | 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 | 1099. | 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 | 1100. | 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 | 1114. | Pino, Marbot, et al., 2006 | 30. m/0.25 mm/0.25 μm, Hydrogen, 70. C @ 4. min, 4. K/min; Tend: 280. C |
| Capillary | DB-5 | 1113. | Sefidkon and Jamzad, 2006 | 30. m/0.25 mm/0.25 μm, He, 4. K/min; Tstart: 40. C; Tend: 240. C |
| Capillary | HP-5MS | 1111. | Basta, Tzakou, et al., 2005 | 30. m/0.25 mm/0.25 μm, He, 3. K/min; Tstart: 60. C; Tend: 280. C |
| Capillary | DB-5 | 1108. | Chagonda and Chalchat, 2005 | 50. m/0.3 mm/0.25 μm, 2. K/min; Tstart: 60. C; Tend: 240. C |
| Capillary | HP-5 | 1114. | Ferretti, Maggi, et al., 2005 | 30. m/0.25 mm/0.25 μm, He, 60. C @ 3. min, 4. K/min, 30. C @ 15. min |
| Capillary | DB-5 | 1110. | 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 | 1118. | Sajjadi and Ghannadi, 2005 | 30. m/0.25 mm/0.25 μm, He, 4. K/min; Tstart: 60. C; Tend: 275. C |
| Capillary | DB-5 | 1113. | 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 | 1117. | 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 | 1100. | Tzakou and Constantinidis, 2005 | 30. m/0.32 mm/0.25 μm, He, 3. K/min; Tstart: 60. C; Tend: 280. C |
| Capillary | HP-5MS | 1116. | 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 | 1098. | 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 | 1114. | 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 | 1123. | 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 | 1108. | Cabanillas, Lopez, et al., 2003 | 30. m/0.25 mm/0.25 μm, He, 4. K/min; Tstart: 60. C; Tend: 240. C |
| Capillary | RSL-200 | 1115. | Jirovetz, Buchbauer, et al., 2003 | 30. m/0.32 mm/0.25 μm, H2, 40. C @ 5. min, 6. K/min, 280. C @ 5. min |
| Capillary | DB-5 | 1111. | 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 | 1114. | Mookdasanit, Tamura, et al., 2003 | Helium, 2. K/min, 210. C @ 60. min; Column length: 30. m; Column diameter: 0.32 mm; Tstart: 70. C |
| Capillary | DB-5 | 1114. | Pino, Marbot, et al., 2003 | 30. m/0.25 mm/0.25 μm, H2, 60. C @ 10. min, 4. K/min, 280. C @ 40. min |
| Capillary | HP-5 | 1102. | Pitarokili, Tzakou, et al., 2003 | 30. m/0.25 mm/0.25 μm, He, 3. K/min; Tstart: 60. C; Tend: 280. C |
| Capillary | HP-5 | 1114. | 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 | 1115. | 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 | 1102. | Velickovic, Ristic, et al., 2003 | 25. m/0.32 mm/0.53 μm, Helium, 4. K/min; Tstart: 40. C; Tend: 280. C |
| Capillary | HP-5 | 1102. | Velickovic, Ristic, et al., 2003 | 25. m/0.32 mm/0.53 μm, Helium, 4. K/min; Tstart: 40. C; Tend: 280. C |
| Capillary | HP-5 | 1103. | Velickovic, Ristic, et al., 2003 | 25. m/0.32 mm/0.53 μm, Helium, 4. K/min; Tstart: 40. C; Tend: 280. C |
| Capillary | HP-5 | 1114. | Velickovic, Randjelovic, et al., 2002 | 30. m/0.25 mm/0.25 μm, H2, 4. K/min; Tstart: 40. C; Tend: 280. C |
| Capillary | SPB-1 | 1091. | 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 | 1094. | Chiasson, Bélanger, et al., 2001 | 30. m/0.25 mm/0.25 μm, He, 2. K/min; Tstart: 40. C; Tend: 240. C |
| Capillary | HP-5 | 1116. | 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 | 1094. | 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 | 1114. | 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 | 1114. | 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 | 1114. | 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 | 1086. | 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 | HP-5 | 1123. | Collin, Deslauriers, et al., 1993 | 2. K/min; Tstart: 40. C; Tend: 210. C |
| Capillary | HP-5 | 1124. | Collin, Deslauriers, et al., 1993 | 2. K/min; Tstart: 40. C; Tend: 210. C |
| Capillary | CP Sil 5 CB | 1100. | 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 | 1095. | 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 | 1081. | 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 | HP-5 MS | 1115. | 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 | Polydimethyl siloxane with 5 % Ph groups | 1106. | da Silva, de Souza, et al., 2012 | 30. m/0.25 mm/0.25 μm, Helium; Program: 50 0C 4 0C/min -> 200 0C (5 min) 20 0C/min -> 280 0C |
| Capillary | Polydimethyl siloxane with 5 % Ph groups | 1117. | da Silva, de Souza, et al., 2012 | 30. m/0.25 mm/0.25 μm, Helium; Program: 50 0C 4 0C/min -> 200 0C (5 min) 20 0C/min -> 280 0C |
| Capillary | HP-5 | 1102. | Velickovic, Ristic, et al., 2012 | 25. m/0.32 mm/0.52 μm, Hydrogen; Program: not specified |
| Capillary | HP-5 | 1114. | Velickovic, Ristic, et al., 2012 | 25. m/0.32 mm/0.52 μm, Hydrogen; Program: not specified |
| Capillary | ZB-5 | 1081. | Vazques, Aimar, et al., 2011 | 30. m/0.25 mm/0.25 μm, Nitrogen; Program: not specified |
| Capillary | ZB-5 | 1081. | Vazquez, Demmel, et al., 2011 | 30. m/0.25 mm/0.25 μm, Nitrogen; Program: not specified |
| Capillary | HP-5 MS | 1115. | 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 | SLB-5 MS | 1118. | 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 | 1112. | Costa, De Fina, et al., 2008 | 30. m/0.25 mm/0.25 μm, Helium; Program: not specified |
| Capillary | SLB-5 MS | 1117. | Lo Presti, Sciarrone, et al., 2008 | 30. m/0.25 mm/0.25 μm, Helium; Program: not specified |
| Capillary | BP-5 | 1116. | Hashemi, Abolghasemi, et al., 2007 | 30. m/0.32 mm/0.25 μm, He; Program: 60C => 4C/min => 150C => 10C/min => 220C |
| Capillary | BPX-5 | 1124. | 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 | 1115. | 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 | HP-5 | 1158. | Jordan, Martinez, et al., 2006 | 30. m/0.25 mm/0.25 μm, He; Program: 60C(4min) => 1C/min => 64C => 2.5C/min => 155C => 5C/min => 250C |
| Capillary | CP Sil 8 CB | 1114. | 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 | 1115. | 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 | 1114. | Tognolini, Barocelli, et al., 2006 | 30. m/0.32 mm/0.15 μm, He; Program: 45C => 1C/min => 100C => 5C/min => 250C (10min) |
| Capillary | BPX-5 | 1114. | Judzentiene and Mockute, 2005 | 30. m/0.25 mm/0.25 μm; Program: 60C(0.2min) => 3K/min => 186C => 10C/min => 240C (5min) |
| Capillary | 1090. | El-Shazily, Hafez, et al., 2004 | Program: not specified | |
| Capillary | OV-1 | 1086. | El-Shazly and Hussein, 2004 | He; Column length: 15. m; Column diameter: 0.317 mm; Program: 50C(4min) => 4C/min => 90C => 10C/min => 300C(10min) |
| Capillary | CP Sil 8 CB | 1114. | 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 | 1115. | 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 | HP-5 | 1158. | Sotomayor, Martínez, et al., 2004 | 30. m/0.25 mm/0.25 μm, He; Program: 60C(4min) => 1C/min => 64C => 2.5C/min => 155C => 5C/min => 250C |
| Capillary | SE-30 | 1102. | Vinogradov, 2004 | Program: not specified |
| Capillary | HP-5 | 1158. | Jordán, Martínez, et al., 2003 | 30. m/0.25 mm/0.25 μm, He; Program: 60C (4min) => 1C/min => 64C => 2.5C/min => 155C => 5C/min => 250C |
| Capillary | CP Sil 8 CB | 1114. | 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 | HP-5 | 1106. | Usubillaga, Aparicio, et al., 2001 | 30. m/0.25 mm/0.25 μm, He; Program: 50 0C 3 K/min -> 200 0C 8 K/min -> 280 0C |
| Capillary | DB-1 | 1081. | Baratta, Dorman, et al., 1998 | 30. m/0.25 mm/0.25 μm, He; Program: 45C => 3C/min => 175C => 15C/min => 240C (10min) |
| Capillary | CP Sil 5 CB | 1100. | Weyerstahl, Marschall, et al., 1997 | N2; Column length: 30. m; Column diameter: 0.25 mm; Program: not specified |
| Capillary | Polydimethyl siloxanes | 1102. | Zenkevich, 1997 | Program: not specified |
| Capillary | Methyl Silicone | 1098. | Grundschober, 1991 | Program: not specified |
| Capillary | OV-101 | 1096. | De Pooter, Vermeesch, et al., 1989 | Program: not specified |
Normal alkane RI, polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | RTX-Wax | 1422. | 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 | Supelcowax-10 | 1442. | 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 | 1450. | 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 | 1438. | Orav, Raal, et al., 2006 | 30. m/0.2 mm/0.25 μm, He, 2. K/min; Tstart: 50. C; Tend: 250. C |
| Capillary | HP-Innowax | 1452. | Ferretti, Maggi, et al., 2005 | 30. m/0.25 mm/0.17 μm, He, 60. C @ 3. min, 4. K/min, 210. C @ 15. min |
| Capillary | DB-Wax | 1448. | 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 | 1447. | 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 | 1409. | 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 | 1444. | 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 | 1425. | 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 | 1451. | 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 | 1399. | Chiasson, Bélanger, et al., 2001 | 30. m/0.25 mm/0.25 μm, He, 2. K/min; Tstart: 40. C; Tend: 240. C |
| Capillary | Supelcowax | 1400. | 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 | 1435. | 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 | 1436. | 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 | 1421. | 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 | Supelcowax-10 | 1440. | Collin, Deslauriers, et al., 1993 | 40. C @ 2. min, 2. K/min, 210. C @ 120. min |
| Capillary | Supelcowax-10 | 1441. | Collin, Deslauriers, et al., 1993 | 40. C @ 2. min, 2. K/min, 210. C @ 120. min |
| Capillary | DB-Wax | 1435. | Perry, Baxter, et al., 1986 | 30. m/0.25 mm/0.25 μm, H2, 5. K/min; Tstart: 50. C; Tend: 250. C |
Normal alkane RI, polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | Innowax FSC | 1451. | 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 | HP Innowax | 1451. | 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 | 1439. | Hudaib and Aburjai, 2007 | 30. m/0.25 mm/0.25 μm, He; Program: not specified |
| Capillary | HP-Innowax | 1451. | 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 | 1451. | 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 | 1451. | Tabanca, Demirci, et al., 2006 | 60. m/0.25 mm/0.25 μm, N2; Program: 60C(10min) => 4C/min => 220C => (10min) => 1C/min => 240C |
| Capillary | HP-Innowax FSC | 1451. | 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 FSC | 1451. | Demirci, Paper, et al., 2004 | 60. m/0.25 mm/0.25 μm, He; Program: 60C(10min) => 4C/min => 220C(10min) => 1C/min => 240C |
| Capillary | HP-Innowax | 1451. | Senatore, Apostolides Arnold, et al., 2004 | 50. m/0.2 mm/0.2 μm; Program: not specified |
| Capillary | Carbowax 20M | 1435. | Vinogradov, 2004 | Program: not specified |
| Capillary | Innowax FSC | 1451. | 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 | 1451. | 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 | Innowax | 1451. | Tunaher, Kirimer, et al., 2003 | 60. m/0.25 mm/0.25 μm, He; Program: 60C(10min) => 4C/min => 220C(10min) => 1C/min => 240C (20min) |
| Capillary | HP-Innowax | 1451. | Viljoen, van Vuuren, et al., 2003 | 60. m/0.25 mm/0.25 μm; Program: 60C(10min) => 4C/min => 220C(10min) => 1C/min => 240C |
| Capillary | HP-Innowax | 1451. | Baser, Demirci, et al., 2002 | 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 | HP-Innowax FSC | 1451. | 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 | 1457. | 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 | 1451. | 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 | 1451. | 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 | 1451. | 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 | HP-Innowax | 1451. | Tabanca, Kirimer, 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 | 1460. | Kerrola, Galambosi, et al., 1994 | 25. m/0.32 mm/0.2 μm; Program: 40C(5min) => 4C/min => 170C => 8C/min => 240C (12min) |
| Capillary | Polyethylene Glycol | 1442. | 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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Composition and antimicrobial activity of the essential oils of Micromeria cristata subsp. phrygia and the enantiomeric distribution of borneol,
J. Agric. Food Chem., 2001, 49, 9, 4300-4303, https://doi.org/10.1021/jf0105034
. [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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