Methyl (Z)-dec-2-en-4,6-diynoate
- Formula: C11H12O2
- Molecular weight: 176.2118
- IUPAC Standard InChI: InChI=1S/C11H12O2/c1-3-4-5-6-7-8-9-10-11(12)13-2/h9-10H,3-4H2,1-2H3/b10-9-
- IUPAC Standard InChIKey: LWONXTYZMYZRSU-KTKRTIGZSA-N
- CAS Registry Number: 505-01-1
- Chemical structure:
This structure is also available as a 2d Mol file - Other names: Lachnophyllum ester, cis; (Z)-Lachnophyllum acid, methyl ester; 2-Decene-4,6-diynoic acid, methyl ester, (Z)-; cis-Lachnophyllum ester; (Z)-2-Lachnophyllum ester; trans-Lachnophyllum ester; Lachnophyllum methyl ester; Methyl (E)-dec-2-en-4,6-diynoate; Lachnophyllum ester
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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 | W.V. BROWN, CSIRO, BLACK MOUNTAIN, CANBERRA CITY, AUSTRALIA |
| NIST MS number | 99147 |
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 | 1539. | Barbosa, Paula, et al., 2005 | 30. m/0.25 mm/0.25 μm, He, 3. K/min, 240. C @ 15. min; Tstart: 60. C |
Kovats' RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | Methyl Silicone | 1504. | Machado, Militao, et al., 1995 | Column length: 25. m; Program: 50 0C 4 0C/min -> 180 0C 10 0C/min -> 250 0C |
Van Den Dool and Kratz RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | BP-1 | 1471. | Boti, Koukoua, et al., 2007 | 50. m/0.22 mm/0.25 μm, He, 2. K/min, 220. C @ 20. min; Tstart: 60. C |
| Capillary | HP-5MS | 1512. | Tzakou, Vagias, et al., 2004 | 30. m/0.25 mm/0.25 μm, He, 3. K/min; Tstart: 60. C; Tend: 280. C |
| Capillary | HP-5MS | 1491. | Tzakou, Vagias, et al., 2004 | 30. m/0.25 mm/0.25 μm, He, 3. K/min; Tstart: 60. C; Tend: 280. C |
Van Den Dool and Kratz RI, polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | BP-20 | 2250. | Boti, Koukoua, et al., 2007 | 50. m/0.22 mm/0.25 μm, He, 2. K/min, 220. C @ 20. min; Tstart: 60. C |
Normal alkane RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-5 | 1502. | Albuquerque, Souza, et al., 2004 | 30. m/0.25 mm/0.1 μm, He; Program: 35C => 4C/min => 180C => 10C/min => 250C |
| Capillary | DB-5 | 1493. | Albuquerque, Souza, et al., 2004 | 30. m/0.25 mm/0.1 μm, He; Program: 35C => 4C/min => 180C => 10C/min => 250C |
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.
Barbosa, Paula, et al., 2005
Barbosa, L.C.A.; Paula, V.F.; Azevedo, A.S.; Silva, E.A.M.; Nascimento, E.A.,
Essential oil composition from some plant parts of Conyza bonariensis (L.) Cronquist,
Flavour Fragr. J., 2005, 20, 1, 39-41, https://doi.org/10.1002/ffj.1392
. [all data]
Machado, Militao, et al., 1995
Machado, S.M.F.; Militao, J.S.L.T.; Facundo, V.A.; Ribeiro, A.; de Morais, S.M.; de Alencar, J.W.; Filho, R.B.,
Essential Oil of Conyza sumatrensis (Retz) Walk,
J. Essent. Oil Res., 1995, 7, 1, 83-84, https://doi.org/10.1080/10412905.1995.9698470
. [all data]
Boti, Koukoua, et al., 2007
Boti, J.B.; Koukoua, G.; N'Guessan, T.Y.; Casanova, J.,
Chemical variability of Conyza sumatrensis and Microglossa pyrifolia from Côte d'Ivoire,
Flavour Fragr. J., 2007, 22, 1, 27-31, https://doi.org/10.1002/ffj.1743
. [all data]
Tzakou, Vagias, et al., 2004
Tzakou, O.; Vagias, C.; Gani, A.; Yannitsaros, A.,
Volatile constituents of essential oils isolated at different growth stages from three Conyza species growing in Greece,
Flavour Fragr. J., 2004, 19, 425-428. [all data]
Albuquerque, Souza, et al., 2004
Albuquerque, M.R.J.R.; Souza, E.B.; Lins, M.U.D.S.; Nogueira, N.A.P.; Lemos, T.L.G.; Silveira, E.R.; Pessoa, O.D.L.,
Composition and antimicrobial activity of the essential oil from aerial parts of Baccharis trinervis (Lam.) Pers.,
Arkivoc, 2004, 6, 6, 59-65, https://doi.org/10.3998/ark.5550190.0005.608
. [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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