Neric acid
- Formula: C10H16O2
- Molecular weight: 168.2328
- IUPAC Standard InChI: InChI=1S/C10H16O2/c1-8(2)5-4-6-9(3)7-10(11)12/h5,7H,4,6H2,1-3H3,(H,11,12)/b9-7-
- IUPAC Standard InChIKey: ZHYZQXUYZJNEHD-CLFYSBASSA-N
- CAS Registry Number: 4613-38-1
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
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- Other names: Nerolic acid; (2Z)-3,7-Dimethyl-2,6-octadienoic acid; (Z)-3,7-Dimethylocta-2,6-dienoic acid; (Z)-Isogeranic acid
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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 | Philip Morris R&D |
| NIST MS number | 108574 |
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
Van Den Dool and Kratz RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | CP Sil 5 CB | 1365. | Weyerstahl, Marschall, et al., 1999 | He, 5. K/min; Column length: 25. m; Column diameter: 0.25 mm; Tstart: 60. C; Tend: 260. C |
Van Den Dool and Kratz RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | HP-5MS | 1330.6 | 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) |
Normal alkane RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | OV-1 | 1340. | Hu, Liang, et al., 2010 | 30. m/0.25 mm/0.25 μm, Helium, 50. C @ 3. min, 5. K/min, 250. C @ 2. min |
| Capillary | DB-5 | 1340. | Ouamba, Ouabonzi, et al., 2006 | 25. m/0.25 mm/0.15 μm, N2, 50. C @ 3. min, 4. K/min; Tend: 200. C |
| Capillary | DB-5MS | 1347. | Watanabe Y., Mihara R., et al., 2005 | 30. m/0.25 mm/0.25 μm, He, 80. C @ 2. min, 5. K/min, 250. C @ 9. min |
| Capillary | BP-5 | 1374. | Doimo, 2001 | 50. m/0.25 mm/1. μm, H2, 6. K/min; Tstart: 60. C; Tend: 270. C |
| Capillary | OV-101 | 1316. | Menon, Chacko, et al., 1999 | N2, 1. K/min, 200. C @ 20. min; Column length: 50. m; Column diameter: 0.2 mm; Tstart: 80. C |
Normal alkane RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-1 | 1299. | Delort and Jaquier, 2009 | 60. m/0.25 mm/0.25 μm, Helium; Program: 50 0C (5 min) 3 0C/min -> 120 0C 5 0C/min -> 250 0C (3 min) 15 0C/min -> 300 0C (20 min) |
| Packed | OV-101 | 1316. | 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 | DB-Wax Etr | 2366. | Ibarz, Ferreira, et al., 2006 | 60. m/0.25 mm/0.25 μm, He, 40. C @ 5. min, 2. K/min, 230. C @ 100. min |
| Capillary | Innowax | 2294. | Joichi, Yomogida, et al., 2005 | 60. m/0.25 mm/0.25 μm, He, 5. K/min, 240. C @ 30. min; Tstart: 60. C |
Normal alkane RI, polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-Wax | 2366. | Loscos, Hernandez-Orte, et al., 2009 | 60. m/0.25 mm/0.50 μm, Helium; Program: 40 0C (3 min) 10 0C/min -> 90 0C 2 0C/min -> 230 0C (37 min) |
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.
Weyerstahl, Marschall, et al., 1999
Weyerstahl, P.; Marschall, H.; Wahlburg, H.-C.; Christiansen, C.; Rustaiyan, A.; Mirdjalili, F.,
Constituents of the essential oil of Pulicaria gnaphalodes (Vent.) Boiss. from Iran,
Flavour Fragr. J., 1999, 14, 2, 121-130, https://doi.org/10.1002/(SICI)1099-1026(199903/04)14:2<121::AID-FFJ790>3.0.CO;2-K
. [all data]
Andriamaharavo, 2014
Andriamaharavo, N.R.,
Retention Data. NIST Mass Spectrometry Data Center., NIST Mass Spectrometry Data Center, 2014. [all data]
Hu, Liang, et al., 2010
Hu, C.-D.; Liang, Y.-Z.; Guo, F.-Q.; Li, X.-R.; Wang, W.-P.,
Determination of essential oil composition from Osmanthus fragrans tea by GC-MS combined with a chemometric resolution method,
Molecules, 2010, 15, 5, 3683-3693, https://doi.org/10.3390/molecules15053683
. [all data]
Ouamba, Ouabonzi, et al., 2006
Ouamba, J.-M.; Ouabonzi, A.; Ekouya, A.; Bessière, J.-M.; Menut, C.; Abena, A.A.; Banzouzi, J.-T.,
Volatile constituents of the essential oil leaf of Lantana salvifolia Jacq. (Verbenaceae),
Flavour Fragr. J., 2006, 21, 1, 158-161, https://doi.org/10.1002/ffj.1553
. [all data]
Watanabe Y., Mihara R., et al., 2005
Watanabe Y.; Mihara R.; Mitsunaga T.; Yoshimura T.,
Termite repellent sesquiterpenoids from Callitris glaucophylla heartwood,
J. Wood Sci., 2005, 51, 5, 514-519, https://doi.org/10.1007/s10086-004-0683-6
. [all data]
Doimo, 2001
Doimo, L.,
Iso-citrals and iso-geraniols in lemon-myrtle (Backhousia citriodora F. Muell.) essential oils,
J. Essent. Oil Res., 2001, 13, 4, 236-237, https://doi.org/10.1080/10412905.2001.9699680
. [all data]
Menon, Chacko, et al., 1999
Menon, A.N.; Chacko, S.; Narayanan, C.S.,
Free and glycosidically bound volatiles of cardamom (Eletteria cardamomum Maton var. miniscula Burkill),
Flavour Fragr. J., 1999, 14, 1, 65-68, https://doi.org/10.1002/(SICI)1099-1026(199901/02)14:1<65::AID-FFJ789>3.0.CO;2-A
. [all data]
Delort and Jaquier, 2009
Delort, E.; Jaquier, A.,
Novel terpenyl esters from Australian finger lime (Citrus australasica) peel extract,
Flav. Fragr. J., 2009, 24, 3, 123-132, https://doi.org/10.1002/ffj.1922
. [all data]
Swigar and Silverstein, 1981
Swigar, A.A.; Silverstein, R.M.,
Monoterpenes, Aldrich Chemical Company, Milwaukee, WI, USA, 1981, 130. [all data]
Ibarz, Ferreira, et al., 2006
Ibarz, M.J.; Ferreira, V.; Hernández-Orte, P.; Loscos, N.; Cacho, J.,
Optimization and evaluation of a procedure for the gas chromatographic-mass spectrometric analysis of the aromas generated by fast acid hydrolysis of flavor precursors extracted from grapes,
J. Chromatogr. A, 2006, 1116, 1-2, 217-229, https://doi.org/10.1016/j.chroma.2006.03.020
. [all data]
Joichi, Yomogida, et al., 2005
Joichi, A.; Yomogida, K.; Awano, K.; Ueda, Y.,
Volatile components of tea-scented modern roses and ancient Chinese roses,
Flavour Fragr. J., 2005, 20, 2, 152-157, https://doi.org/10.1002/ffj.1388
. [all data]
Loscos, Hernandez-Orte, et al., 2009
Loscos, N.; Hernandez-Orte, P.; Cacho, J.; Ferreira, V.,
Fate of grape flavor precursors during storage on yeast lees,
J. Agric. Food Chem., 2009, 57, 12, 5468-5479, https://doi.org/10.1021/jf804057q
. [all data]
Notes
Go To: Top, Mass spectrum (electron ionization), Gas Chromatography, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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