trans-Calamenene
- Formula: C15H22
- Molecular weight: 202.3352
- IUPAC Standard InChI: InChI=1S/C15H22/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h5,7,9-10,12-13H,6,8H2,1-4H3/t12-,13+/m1/s1
- IUPAC Standard InChIKey: PGTJIOWQJWHTJJ-OLZOCXBDSA-N
- CAS Registry Number: 73209-42-4
- Chemical structure:
This structure is also available as a 2d Mol file - Species with the same structure:
- Stereoisomers:
- Other names: (1R,4S)-4-Isopropyl-1,6-dimethyl-1,2,3,4-tetrahydronaphthalene; (E)-Calamenene; calamenene trans; T-Calamenene
- Information on this page:
- Other data available:
- Options:
Normal alkane RI, non-polar column, temperature ramp
Go To: Top, 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
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | HP-5 MS | 5 % Phenyl methyl siloxane | DB-5 | DB-5 MS | DB-5MS |
| Column length (m) | 30. | 60. | 30. | 30. | 30. |
| Carrier gas | Helium | Helium | Nitrogen | Helium | He |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
| Tstart (C) | 60. | 90. | 40. | 50. | 60. |
| Tend (C) | 220. | 225. | 230. | 300. | 240. |
| Heat rate (K/min) | 4. | 3. | 2. | 5. | 3. |
| Initial hold (min) | 20. | 5. | |||
| Final hold (min) | 20. | 3. | 5. | ||
| I | 1512. | 1531. | 1529. | 1513. | 1533. |
| Reference | Feizbakhsh and Naeemy, 2011 | Retta, Gattuso, et al., 2009 | Scrivanti, Anton, et al., 2009 | Noudogbessi, Yedomonhan, et al., 2008 | Andrade, Oliveira, et al., 2007 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | CP Sil 5 CB | HP-5MS | DB-5 | HP-5 | DB-5 |
| Column length (m) | 30. | 30. | 30. | 30. | 30. |
| Carrier gas | N2 | He | He | N2 | Helium |
| Substrate | |||||
| Column diameter (mm) | 0.32 | 0.25 | 0.26 | 0.25 | 0.26 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
| Tstart (C) | 60. | 60. | 60. | 50. | 60. |
| Tend (C) | 300. | 280. | 240. | 240. | 290. |
| Heat rate (K/min) | 4. | 3. | 3. | 5. | 3. |
| Initial hold (min) | 1. | ||||
| Final hold (min) | 4. | ||||
| I | 1514. | 1505. | 1532. | 1521. | 1532. |
| Reference | Baran, von Reuss, et al., 2007 | Basta, Tzakou, et al., 2007 | Bos, Woerdenbag, et al., 2007 | Cheraif, Ben Jannet, et al., 2007 | Elfami, Bos, et al., 2007 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | DB-5 | DB-5 | BP-1 | DB-5 | HP-5 |
| Column length (m) | 30. | 30. | 50. | 30. | 30. |
| Carrier gas | Helium | Helium | He | He | He |
| Substrate | |||||
| Column diameter (mm) | 0.26 | 0.25 | 0.22 | 0.25 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
| Tstart (C) | 60. | 60. | 60. | 60. | 60. |
| Tend (C) | 290. | 260. | 220. | 220. | 220. |
| Heat rate (K/min) | 3. | 3. | 2. | 4. | 5. |
| Initial hold (min) | 5. | 10. | |||
| Final hold (min) | 20. | ||||
| I | 1532. | 1528. | 1511. | 1532. | 1529. |
| Reference | Elfami, Komar, et al., 2006 | Javidnia, Miri, et al., 2006 | Lesueur, Ban, et al., 2006 | Morteza-Semnani K., Saeedi M., et al., 2006 | Pintore G., Chessa M., et al., 2006 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | HP-5MS | DB-5 | HP-5MS | CP Sil 5 CB | HP-5MS |
| Column length (m) | 30. | 30. | 30. | 25. | 30. |
| Carrier gas | He | He | He | ||
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.15 | 0.25 |
| Tstart (C) | 60. | 60. | 50. | 50. | 60. |
| Tend (C) | 280. | 300. | 250. | 230. | 280. |
| Heat rate (K/min) | 3. | 3. | 3. | 3. | 3. |
| Initial hold (min) | 3. | 10. | |||
| Final hold (min) | 5. | ||||
| I | 1495. | 1529. | 1528. | 1516. | 1526. |
| Reference | Pitarokili, Tzakou, et al., 2006 | Ferraz, Limberger, et al., 2005 | Melkani, Dev, et al., 2005 | Ogunwande, Olawore, et al., 2005 | Slavkovska, Couladis, et al., 2005 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | BP-1 | SPB-5 | DB-5 | DB-5 | HP-5 |
| Column length (m) | 50. | 60. | 30. | 50. | 25. |
| Carrier gas | He | Helium | Helium | H2 | |
| Substrate | |||||
| Column diameter (mm) | 0.22 | 0.32 | 0.25 | 0.25 | 0.32 |
| Phase thickness (μm) | 0.25 | 1. | 0.52 | ||
| Tstart (C) | 60. | 60. | 60. | 60. | 40. |
| Tend (C) | 220. | 200. | 240. | 240. | 240. |
| Heat rate (K/min) | 2. | 4. | 2. | 2. | 4. |
| Initial hold (min) | |||||
| Final hold (min) | 20. | 30. | 999. | 999. | |
| I | 1517. | 1540. | 1515. | 1515. | 1532. |
| Reference | Blanc, Muselli, et al., 2004 | Gauvin, Ravaomanarivo, et al., 2004 | Miyazawa, Fuhita, et al., 2004 | Miyazawa, Fujita, et al., 2004 | Simic, Sokovic, et al., 2004 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | HP-5 | HP-1 | DB-5MS | DB-5 | DB-5MS |
| Column length (m) | 25. | 30. | 30. | 30. | 30. |
| Carrier gas | H2 | He | He | He | He |
| Substrate | |||||
| Column diameter (mm) | 0.32 | 0.25 | 0.25 | 0.25 | 0.25 |
| Phase thickness (μm) | 0.52 | 0.25 | 0.25 | 0.25 | 0.25 |
| Tstart (C) | 40. | 70. | 60. | 60. | 60. |
| Tend (C) | 240. | 200. | 240. | 280. | 240. |
| Heat rate (K/min) | 4. | 10. | 3. | 3. | 3. |
| Initial hold (min) | |||||
| Final hold (min) | 30. | ||||
| I | 1561. | 1532. | 1535. | 1515. | 1530. |
| Reference | Simic, Sokovic, et al., 2004 | Fekam Boyom, Amvam Zollo, et al., 2003 | Maia, Taveira, et al., 2003 | Marongiu, Porcedda, et al., 2003 | Taveira, de Lima, et al., 2003 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | HP-5 | HP-5 | DB-5 | DB-5 | HP-5 |
| Column length (m) | 25. | 25. | 30. | 30. | 30. |
| Carrier gas | H2 | H2 | He | He | N2 |
| Substrate | |||||
| Column diameter (mm) | 0.32 | 0.32 | 0.25 | 0.25 | 0.25 |
| Phase thickness (μm) | 0.53 | 0.53 | 0.25 | 0.25 | 0.25 |
| Tstart (C) | 40. | 40. | 60. | 60. | 60. |
| Tend (C) | 280. | 280. | 240. | 240. | 220. |
| Heat rate (K/min) | 4. | 4. | 3. | 3. | 5. |
| Initial hold (min) | 10. | ||||
| Final hold (min) | |||||
| I | 1528. | 1529. | 1529. | 1531. | 1533. |
| Reference | Velickovic, Randjelovic, et al., 2003 | Velickovic, Randjelovic, et al., 2003 | Zoghbi, Andrade, et al., 2003 | Maia, da Silva, et al., 2002 | Gallori, Flamini, et al., 2001 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary |
|---|---|---|
| Active phase | CP Sil 5 CB | OV-1 |
| Column length (m) | 25. | 50. |
| Carrier gas | He | N2 |
| Substrate | ||
| Column diameter (mm) | 0.25 | 0.27 |
| Phase thickness (μm) | 0.2 | |
| Tstart (C) | 50. | 80. |
| Tend (C) | 230. | 240. |
| Heat rate (K/min) | 3. | 3. |
| Initial hold (min) | ||
| Final hold (min) | ||
| I | 1507. | 1509. |
| Reference | Oyedeji, Olawore, et al., 1999 | Ramanoelina, Viano, et al., 1994 |
| Comment | MSDC-RI | MSDC-RI |
References
Go To: Top, Normal alkane RI, non-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.
Feizbakhsh and Naeemy, 2011
Feizbakhsh, A.; Naeemy, A.,
Volatile constituents of essential oils of Eleocharis pauciflora (Light) Link and Eleocharis uniglumis (Link) J.A. Schultes growing wild in Iran,
Bull. Chem. Soc. Ethiop., 2011, 25, 3, 461-464, https://doi.org/10.4314/bcse.v25i3.68606
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Retta, Gattuso, et al., 2009
Retta, D.; Gattuso, M.; Gattuso, S.; Lira, P. Di Leo; van Baren, C.; Ferraro, G.; Bandoni A.,
Essential oil composition of Achyrocline flaccida (Weinm.) DC. (Asteraceae) from different locations of Argentina,
Biochem. Systematics Ecol., 2009, 36, 12, 877-881, https://doi.org/10.1016/j.bse.2008.11.001
. [all data]
Scrivanti, Anton, et al., 2009
Scrivanti, L.R.; Anton, A.M.; Zygadlo, J.A.,
Essential oil conposition of Bothriochloa Kuntze (Poaceae) from South America and their chemotaxonomy,
Biochem. Systematics Ecol., 2009, 37, 3, 206-213, https://doi.org/10.1016/j.bse.2009.03.009
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Noudogbessi, Yedomonhan, et al., 2008
Noudogbessi, J.-P.; Yedomonhan, P.; Sohounhloue, D.C.K.; Chalchat, J.-C.; Figueredo, G.,
Chemical composition of essential oil of syzygium guineense (Willd.) DC. var. guineense (Myrtaceae) from Benin,
Rec. Nat. Prod., 2008, 33-38. [all data]
Andrade, Oliveira, et al., 2007
Andrade, E.H.A.; Oliveira, J.; Zoghbi, M.G.B.,
Volatiles of Anaxagorea dolichocarpa Spreng. Sandw. and Annona densicoma Mart. Growing Wild in the State of Pará, Brazil,
Flavour Fragr. J., 2007, 22, 2, 158-160, https://doi.org/10.1002/ffj.1776
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Baran, von Reuss, et al., 2007
Baran, S.; von Reuss, S.H.; König, W.A.; Kalemba, D.,
Composition of the essential oil of Abies koreana Wils.,
Flavour Fragr. J., 2007, 22, 1, 78-83, https://doi.org/10.1002/ffj.1762
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Basta, Tzakou, et al., 2007
Basta, A.; Tzakou, O.; Couladis, M.; Yannitsaros, A.,
Essential oil composition of Prasium majus L. from Greece,
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Bos, Woerdenbag, et al., 2007
Bos, R.; Woerdenbag, H.J.; Kayser, O.; Quax, W.J.; Ruslan, K.; Elfami,
Essential oil constituents of Piper cubeba L. fils. from Indonesia,
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Cheraif, Ben Jannet, et al., 2007
Cheraif, I.; Ben Jannet, H.; Hammami, M.; Khouja, M.L.; Mighri, Z.,
Chemical composition and antimicrobial activity of essential oils of Cupressus arizonica Greene,
Biochem. Syst. Ecol., 2007, 35, 12, 813-820, https://doi.org/10.1016/j.bse.2007.05.009
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Elfami, Bos, et al., 2007
Elfami; Bos, R.; Ruslan, K.; Woerdenbag, H.J.; Kayser, P.; Quax, W.J.,
Essential Oil Constituents of Piper cubeba from Indonesia, 2007, 53-60. [all data]
Elfami, Komar, et al., 2006
Elfami, R.B.; Komar, R.; Woerdenbag, H.J.; Kayser, P.; Quax, W.J.,
Essential oil constituents of Piper cubeba from Indonesia, 2006, retrieved from http://dissertations.ub.rug.nl/FILES/facultiew/science/2006/elfahmi/05c5.pdf. [all data]
Javidnia, Miri, et al., 2006
Javidnia, K.; Miri, R.; Kamalinejad, M.; Mehdipour, A.R.,
Composition of the essential oil of Diplotaenia cachrydifolia Boiss. from Iran,
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Lesueur, Ban, et al., 2006
Lesueur, D.; Ban, N.K.; Bighelli, A.; Muselli, A.; Casanova, J.,
Analysis of the root oil of Fokienia hodginsii (Dunn) Henry et Thomas (Cupressaceae) by GC, GC-MS and 13C-NMR,
Flavour Fragr. J., 2006, 21, 1, 171-174, https://doi.org/10.1002/ffj.1557
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Morteza-Semnani K., Saeedi M., et al., 2006
Morteza-Semnani K.; Saeedi M.; Changizi S.,
The essential oil composition of Hypericum scabrum L. from Iran,
Flavour Fragr. J., 2006, 21, 3, 513-515, https://doi.org/10.1002/ffj.1614
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Pintore G., Chessa M., et al., 2006
Pintore G.; Chessa M.; Manconi P.; Zanetti S.; Deriu A.; Tirillini B.,
Chemical composition and antimicrobial activities of essential oil of stachys glutinosa L. from Sardinia,
Natural Product Communications, 2006, 1, 12, 1133-1136. [all data]
Pitarokili, Tzakou, et al., 2006
Pitarokili, D.; Tzakou, O.; Loukis, A.,
Essential oil composition of Salvia verticillata, S. verbenaca, S. glutinosa and S. candidissima growing wild in Greece,
Flavour Fragr. J., 2006, 21, 4, 670-673, https://doi.org/10.1002/ffj.1647
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Ferraz, Limberger, et al., 2005
Ferraz, A.B.F.; Limberger, R.P.; Bordignon, S.A.L.; von Poser, G.L.; Henriques, A.T.,
Essential oil composition of six Hypericum species from southern Brazil,
Flavour Fragr. J., 2005, 20, 3, 335-339, https://doi.org/10.1002/ffj.1435
. [all data]
Melkani, Dev, et al., 2005
Melkani, A.B.; Dev, V.; Beauchamp, P.S.; Negi, A.; Mehta, S.P.S.; Melkani, K.B.,
Constituents of the essential oil of a new chemotype of Elsholtzia strobilifera Benth.,
Biochem. Syst. Ecol., 2005, 33, 4, 419-425, https://doi.org/10.1016/j.bse.2004.10.009
. [all data]
Ogunwande, Olawore, et al., 2005
Ogunwande, I.A.; Olawore, N.O.; Adeleke, K.A.; Ekundayo, O.,
Volatile constituents from the leaves of Eucalyptus cloeziana F. Muell and E. propinqua Deane Maiden from Nigeria,
Flavour Fragr. J., 2005, 20, 6, 637-639, https://doi.org/10.1002/ffj.1516
. [all data]
Slavkovska, Couladis, et al., 2005
Slavkovska, V.; Couladis, M.; Bojovic, S.; Tzakou, O.; Pavlovic, M.; Lakusic, B.; Jancic, R.,
Essential oil and its systematic significance in species of Micromeria Bentham from Serbia Montenegro,
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. [all data]
Blanc, Muselli, et al., 2004
Blanc, M.-C.; Muselli, A.; Bradesi, P.; Casanova, J.,
Chemical composition and variability of the essential oil of Inula graveolens from Corsica,
Flavour Fragr. J., 2004, 19, 4, 314-319, https://doi.org/10.1002/ffj.1304
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Gauvin, Ravaomanarivo, et al., 2004
Gauvin, A.; Ravaomanarivo, H.; Smadja, J.,
Comparative analysis by gas chromatography?mass spectrometry of the essential oils from bark and leaves of Cedrelopsis grevei Baill, an aromatic and medicinal plant from Madagascar,
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Miyazawa, Fuhita, et al., 2004
Miyazawa, M.; Fuhita, T.; Yamafuji, C.; Matsui, M.; Kasahara, N.; Takagi, Y.; Ishikawa, Y.,
Chemical composition of volatile oil from the roots of Periploca sepium,
J. Oleo Sci., 2004, 53, 10, 511-513, https://doi.org/10.5650/jos.53.511
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Miyazawa, Fujita, et al., 2004
Miyazawa, M.; Fujita, T.; Yamafuji, C.; Matsui, M.; Kasahara, N.; Takagi, Y.; Ishikawa, Y.,
Chemical composition of volatile oil from the roots of Periploca sepium,
J. Oleo Sci., 2004, 53, 11, 511-513, https://doi.org/10.5650/jos.53.511
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Simic, Sokovic, et al., 2004
Simic, A.; Sokovic, M.D.; Ristic, M.; Grujic-Jovanovic, S.; Vukojevic, J.; Marin, P.D.,
The chemical composition of some Lauraceae essential oils and their antifungal activities,
Phytother. Res., 2004, 18, 9, 713-717, https://doi.org/10.1002/ptr.1516
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Fekam Boyom, Amvam Zollo, et al., 2003
Fekam Boyom, F.; Amvam Zollo, P.H.; Agnaniet, H.; Menut, C.; Bessière, J.M.,
Aromatic plants of tropical central Africa. Part XLIII volatiles components from Uvariastrum pierreanum Engl. (Engl. Diels) growing in Cameroon,
Flavour Fragr. J., 2003, 18, 4, 296-298, https://doi.org/10.1002/ffj.1218
. [all data]
Maia, Taveira, et al., 2003
Maia, J.G.S.; Taveira, F.S.N.; Andrade, E.H.A.; da Silva, M.H.L.; Zoghbi, M.G.B.,
Essential oils of Lippia grandis Schau.,
Flavour Fragr. J., 2003, 18, 5, 417-420, https://doi.org/10.1002/ffj.1241
. [all data]
Marongiu, Porcedda, et al., 2003
Marongiu, B.; Porcedda, S.; Caredda, A.; de Gioannis, B.; Vargiu, L.; la Colla, P.,
Extraction of Juniperus oxycedrus ssp. Oxycedrus essential oil by supercritical carbon dioxide: influence of some process parameters and biological activity,
Flavour Fragr. J., 2003, 18, 5, 390-397, https://doi.org/10.1002/ffj.1224
. [all data]
Taveira, de Lima, et al., 2003
Taveira, F.S.N.; de Lima, W.N.; Andrade, E.H.A.; Maia, J.G.S.,
Seasonal essential oil variation of Aniba canelilla,
Biochem. Syst. Ecol., 2003, 31, 1, 69-75, https://doi.org/10.1016/S0305-1978(02)00088-1
. [all data]
Velickovic, Randjelovic, et al., 2003
Velickovic, D.T.; Randjelovic, N.V.; Ristic, M.S.; Velickovic, A.S.; Smelcerovic, A.A.,
Chemical constituents and antimicrobial activity of the ethanol extracts obtained from the flower, leaf, and stem of Salvia officinalis L.,
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Zoghbi, Andrade, et al., 2003
Zoghbi, M.G.B.; Andrade, E.H.A.; da Silva, M.H.; Carreira, L.M.M.; Maia, J.G.S.,
Essential oils from three Myrcia species,
Flavour Fragr. J., 2003, 18, 5, 421-424, https://doi.org/10.1002/ffj.1242
. [all data]
Maia, da Silva, et al., 2002
Maia, J.G.S.; da Silva, M.H.L.; Andrade, E.H.A.; Zoghbi, M.G.B.; Carreira, L.M.M.,
Essential oils from Astronium urundeuva (Allemao) Engl. and A. fraxinifolium Schott ex Spreng.,
Flavour Fragr. J., 2002, 17, 1, 72-74, https://doi.org/10.1002/ffj.1046
. [all data]
Gallori, Flamini, et al., 2001
Gallori, S.; Flamini, G.; Bilia, A.R.; Morelli, I.; Landini, A.; Vincieri, F.F.,
Chemical composition of some traditional herbal drug preparations: essential oil and aromatic water of costmary (Balsamita suaveolens Pers.),
J. Agric. Food Chem., 2001, 49, 12, 5907-5910, https://doi.org/10.1021/jf0107656
. [all data]
Oyedeji, Olawore, et al., 1999
Oyedeji, A.O.; Olawore, O.N.; Ekundayo, O.; Koenig, W.A.,
Volatile leaf oil constituents of three Eucalyptus species from Nigeria,
Flavour Fragr. J., 1999, 14, 4, 241-244, https://doi.org/10.1002/(SICI)1099-1026(199907/08)14:4<241::AID-FFJ820>3.0.CO;2-Y
. [all data]
Ramanoelina, Viano, et al., 1994
Ramanoelina, P.A.R.; Viano, J.; Bianchini, J.-P.; Gaydou, E.M.,
Occurrence of various chemotypes in Niaouli (Melaleuca quinquenervia) essential oils from Madagascar using multivariate statistical analysis,
J. Agric. Food Chem., 1994, 42, 5, 1177-1182, https://doi.org/10.1021/jf00041a024
. [all data]
Notes
Go To: Top, Normal alkane RI, non-polar column, temperature ramp, References
- Symbols used in this document:
Tend Final temperature Tstart Initial temperature - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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