Valeranone
- Formula: C15H26O
- Molecular weight: 222.3663
- IUPAC Standard InChIKey: HDVXJTYHXDVWQO-SNPRPXQTSA-N
- CAS Registry Number: 55528-90-0
- Chemical structure:
This structure is also available as a 2d Mol file - Stereoisomers:
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Normal alkane RI, non-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-5 MS | DB-5 | SPB-5 | HP-5 | HP-5MS |
Column length (m) | 60. | 30. | 30. | 30. | 30. |
Carrier gas | Helium | Hydrogen | He | 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) | 40. | 50. | 50. | 40. | 40. |
Tend (C) | 250. | 250. | 250. | 260. | 260. |
Heat rate (K/min) | 3. | 4. | 2. | 4. | 4. |
Initial hold (min) | 1. | ||||
Final hold (min) | 20. | ||||
I | 1670. | 1670. | 1671. | 1666. | 1667.6 |
Reference | Sardashti, Valizadeh, et al., 2013 | Pontes, de Olivera, et al., 2007 | Raal, Orav, et al., 2007 | Ristic, Krivokuca-Dokic, et al., 2007 | Zizovic, Stamenic, et al., 2007 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | HP-5 | DB-5 | CP Sil 5 CB | CP Sil 5 CB | CP Sil 5 CB |
Column length (m) | 25. | 25. | 25. | 25. | 25. |
Carrier gas | He | Nitrogen | N2 | N2 | He |
Substrate | |||||
Column diameter (mm) | 0.2 | 0.25 | 0.32 | 0.32 | 0.25 |
Phase thickness (μm) | 0.33 | 0.25 | 0.25 | 0.25 | 0.25 |
Tstart (C) | 60. | 60. | 50. | 50. | 60. |
Tend (C) | 240. | 240. | 290. | 290. | 300. |
Heat rate (K/min) | 3. | 3. | 4. | 4. | 6. |
Initial hold (min) | |||||
Final hold (min) | 7. | ||||
I | 1668. | 1672. | 1639. | 1639. | 1639. |
Reference | Duarte, Figueira, et al., 2005 | JAvidnia, Mojab, et al., 2004 | Bos, Woerdenbag, et al., 1997 | Bos, Woerdenbag, et al., 1997 | Bos, Woerdenbag, et al., 1997, 2 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | 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.
Sardashti, Valizadeh, et al., 2013
Sardashti, A.R.; Valizadeh, J.; Adhami, Y.,
Variations in the essential oil composition of Peroskia abrotonolides of different growth stage in Baluchestan,
Middle-East J. Sci. Res., 2013, 13, 6, 781-784. [all data]
Pontes, de Olivera, et al., 2007
Pontes, W.J.T.; de Olivera, J.C.G.; da Camara, C.A.G.; Lopes, A.C.H.R.; Gondim Jr.; de Olivera, J.V.; Barros, R.; Schwartz, M.O.E.,
Chemical composition and acaridical activity of the leaf and fruit essential oils of Protium heptaphyllum (Aubl.) Marchand (Burseraceae),
Acta Amazonica, 2007, 37, 1, 103-110, https://doi.org/10.1590/S0044-59672007000100012
. [all data]
Raal, Orav, et al., 2007
Raal, A.; Orav, A.; Arak, E.; Kailas, T.; Müürisepp, M.,
Variation in the composition of the essential oil of Valeriana officinalis L. roots from Estonia,
Proc. Est. Acad. Sci. Chem., 2007, 56, 2, 67-74. [all data]
Ristic, Krivokuca-Dokic, et al., 2007
Ristic, M.; Krivokuca-Dokic, D.; Radanovic, D.; Nastovski, T.,
Etarsko ulje Arnica montata i Arnica chamissonis,
Hem. Ind., 2007, 61, 5, 272-277, https://doi.org/10.2298/HEMIND0704272R
. [all data]
Zizovic, Stamenic, et al., 2007
Zizovic, I.; Stamenic, M.; Ivanovic, J.; Orlovic, A.; Ristic, M.; Djordjevic, S.; Petrovic, S.D.; Skala, D.,
Supercritical carbon dioxide extraction of sesquiterpenes from valerian root,
J. Supercrit. Fluids, 2007, 43, 2, 249-258, https://doi.org/10.1016/j.supflu.2007.05.007
. [all data]
Duarte, Figueira, et al., 2005
Duarte, M.C.T.; Figueira, G.M.; Sartoratto, A.; Rehder, V.L.G.; Delarmelina, C.,
Anti-Candida activity of Brazilian medicinal plants,
J. Ethnopharmacol., 2005, 97, 2, 305-311, https://doi.org/10.1016/j.jep.2004.11.016
. [all data]
JAvidnia, Mojab, et al., 2004
JAvidnia, K.; Mojab, F.; Mojahedi, S.A.,
Chemical constituents of the essential oil of Stachys lavandulifolia Vahl from Iran,
Iranian J. Pharm. Res., 2004, 3, 61-63. [all data]
Bos, Woerdenbag, et al., 1997
Bos, R.; Woerdenbag, H.J.; Hendriks, H.; Smit, H.F.; Wikström, H.V.; Scheffer, J.J.C.,
Composition of the essential oil from roots and rhizomes of Valeriana wallichii DC,
Flavour Fragr. J., 1997, 12, 2, 123-131, https://doi.org/10.1002/(SICI)1099-1026(199703)12:2<123::AID-FFJ613>3.0.CO;2-4
. [all data]
Bos, Woerdenbag, et al., 1997, 2
Bos, R.; Woerdenbag, H.J.; Hendriks, H.; Scheffer, J.J.C.,
Composition of the essential oils from underground parts of Valeriana officinalis L. s.l. and several closely related taxa,
Flavour Fragr. J., 1997, 12, 5, 359-370, https://doi.org/10.1002/(SICI)1099-1026(199709/10)12:5<359::AID-FFJ660>3.0.CO;2-G
. [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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