Caffeic acid, 3TMS derivative
- Formula: C18H32O4Si3
- Molecular weight: 396.7008
- IUPAC Standard InChIKey: MBIYCWDFSLHMSI-ACCUITESSA-N
- CAS Registry Number: 10586-03-5
- Chemical structure:
This structure is also available as a 2d Mol file - Species with the same structure:
- Stereoisomers:
- Other names: Trimethylsilyl 3,4-bis(trimethylsiloxy)cinnamate; 2-Propenoic acid, 3-[3,4-bis[(trimethylsilyl)oxy]phenyl]-, trimethylsilyl ester; Cinnamic acid, 3,4-bis(trimethylsiloxy)-, trimethylsilyl ester; Caffeic acid (tri-TMS); Trimethylsilyl 3-(3,4-bis[(trimethylsilyl)oxy]phenyl)-2-propenoate; Trimethylsilyl 3,4-bis(trimethylsiloxy)caffeic acid; Caffeic acid (3TMS); Caffeic acid, tris-TMS; Cinnamic acid, 3,4-dihydroxy, tri-TMS; Caffeic acid, TMS; Cinnamic acid, 3,4-dihydroxy, TMS; (Z)-Caffeic acid, TMS; Cinnamic acid, 3,4-dihydroxy, tris-TMS
- Information on this page:
- Other data available:
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Gas Chromatography
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
Van Den Dool and Kratz RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | DB-5 | 2155. | Jaroszynska and Ligor, 2005 | 30. m/0.25 mm/0.25 μm, He, 3. K/min; Tstart: 50. C; Tend: 320. C |
Capillary | DB-5 | 2158. | Jaroszynska and Ligor, 2005 | 30. m/0.25 mm/0.25 μm, He, 3. K/min; Tstart: 50. C; Tend: 320. C |
Capillary | DB-5 | 2158. | Jaroszynska and Ligor, 2005 | 30. m/0.25 mm/0.25 μm, He, 3. K/min; Tstart: 50. C; Tend: 320. C |
Capillary | DB-5 | 2159. | Jaroszynska and Ligor, 2005 | 30. m/0.25 mm/0.25 μm, He, 3. K/min; Tstart: 50. C; Tend: 320. C |
Capillary | PE-5ht | 2158. | Jaroszynska and Ligor, 2005 | 30. m/0.25 mm/0.1 μm, He, 3. K/min; Tstart: 50. C; Tend: 320. C |
Capillary | PE-5ht | 2163. | Jaroszynska and Ligor, 2005 | 30. m/0.25 mm/0.1 μm, He, 3. K/min; Tstart: 50. C; Tend: 320. C |
Capillary | PE-5ht | 2167. | Jaroszynska and Ligor, 2005 | 30. m/0.25 mm/0.1 μm, He, 3. K/min; Tstart: 50. C; Tend: 320. C |
Capillary | PE-5ht | 2167. | Jaroszynska and Ligor, 2005 | 30. m/0.25 mm/0.1 μm, He, 3. K/min; Tstart: 50. C; Tend: 320. C |
Capillary | PE-5ms | 2136. | Jaroszynska and Ligor, 2005 | 30. m/0.25 mm/0.25 μm, He, 3. K/min; Tstart: 50. C; Tend: 320. C |
Capillary | PE-5ms | 2136. | Jaroszynska and Ligor, 2005 | 30. m/0.25 mm/0.25 μm, He, 3. K/min; Tstart: 50. C; Tend: 320. C |
Capillary | DB-5MS | 2136.5 | Jonsson, Johansson, et al., 2005 | 10. m/0.18 mm/0.18 μm, 70. C @ 2. min, 40. K/min, 320. C @ 2. min |
Capillary | PE-5 | 2152. | Isidorov and Vinogorova, 2003 | He, 5. K/min; Column length: 30. m; Column diameter: 0.25 mm; Tstart: 50. C; Tend: 250. C |
Capillary | DB-5 | 2152. | Jaroszynska, 2003 | 30. m/0.25 mm/0.25 μm, He, 3. K/min; Tstart: 50. C; Tend: 240. C |
Capillary | DB-5 | 2158. | Jaroszynska, 2003 | 30. m/0.25 mm/0.25 μm, He, 3. K/min; Tstart: 50. C; Tend: 240. C |
Capillary | DB-5 | 2152. | Jaroszynska, 2003 | 30. m/0.25 mm/0.25 μm, He, 7. K/min; Tstart: 50. C; Tend: 240. C |
Capillary | DB-5 | 2158. | Jaroszynska, 2003 | 30. m/0.25 mm/0.25 μm, He, 7. K/min; Tstart: 50. C; Tend: 240. C |
Packed | OV-1 | 2143. | Mattsson and Petersson, 1977 | N2, Supelcoport, 4. K/min; Column length: 2. m; Tstart: 80. C; Tend: 240. C |
Packed | OV-1 | 2141. | Butts, 1972 | He, Chromosorb W HP (80-100 mesh), 10. K/min; Column length: 2. m; Tstart: 100. C; Tend: 325. C |
Van Den Dool and Kratz RI, non-polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | VF-5MS | 2133.9 | Tret'yakov, 2007 | 30. m/0.25 mm/0.25 μm, He; Program: Multi-step temperature program; T(initial)=60C; T(final)=270C |
Normal alkane RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | HP-5 | 2151. | Isidorov, Kotowska, et al., 2005 | 30. m/0.25 mm/0.25 μm, He, 5. K/min; Tstart: 50. C; Tend: 300. C |
References
Go To: Top, Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Jaroszynska and Ligor, 2005
Jaroszynska, J.; Ligor, T.,
The identification of phenolic compounds by a gas chromatographic method on three capillary columns with the same non-polar stationary phase,
Anal. Chim. Acta., 2005, 539, 1-2, 11-15, https://doi.org/10.1016/j.aca.2005.03.024
. [all data]
Jonsson, Johansson, et al., 2005
Jonsson, P.; Johansson, A.I.; Gullberg, J.; Trygg, J.; Jiye, A.; Grung, B.; Marklund, S.; Sjöström, M.; Antti, H.; Moritz, T.,
High-throughput data analysis for detecting and identifying differences between samples in GC/MS-based metabolomic analyses,
Anal. Chem., 2005, 77, 17, 5635-5642, https://doi.org/10.1021/ac050601e
. [all data]
Isidorov and Vinogorova, 2003
Isidorov, V.A.; Vinogorova, V.T.,
GC-MS analysis of compounds extracted from buds of Populus balsamifera and Populus nigra,
Z. Naturforsch. C:, 2003, 58, 355-360. [all data]
Jaroszynska, 2003
Jaroszynska, J.,
Isolation of free phenolic compounds from arboreal leaves by use of the Florisil/C18 system,
Anal. Bioanal. Chem., 2003, 377, 4, 702-708, https://doi.org/10.1007/s00216-003-2155-z
. [all data]
Mattsson and Petersson, 1977
Mattsson, M.; Petersson, G.,
Reference GLC Data for the Analysis of Phenolic Compounds as Trimethylsilyl Derivatives,
J. Chromatogr. Sci., 1977, 15, 12, 546-554, https://doi.org/10.1093/chromsci/15.12.546
. [all data]
Butts, 1972
Butts, W.C.,
Two-Column Gas Chromatography of Trimethylsilyl Derivatives of Biochemically Significant Compounds,
Anal. Biochemistry, 1972, 46, 1, 187-199, https://doi.org/10.1016/0003-2697(72)90411-3
. [all data]
Tret'yakov, 2007
Tret'yakov, K.V.,
Retention Data. NIST Mass Spectrometry Data Center., NIST Mass Spectrometry Data Center, 2007. [all data]
Isidorov, Kotowska, et al., 2005
Isidorov, V.A.; Kotowska, U.; Vinogorova, V.T.,
GC Identification of organic compounds based on partition coefficients of their TMS derivatives in a hexane-acetonitrile system and retention indices,
Anal. Sci., 2005, 21, 12, 1483-1489, https://doi.org/10.2116/analsci.21.1483
. [all data]
Notes
Go To: Top, Gas Chromatography, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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