Aconitic acid, (Z)-, 3TBDMS derivative
- Formula: C24H48O6Si3
- Molecular weight: 516.8908
- IUPAC Standard InChI: InChI=1S/C24H48O6Si3/c1-22(2,3)31(10,11)28-19(25)16-18(21(27)30-33(14,15)24(7,8)9)17-20(26)29-32(12,13)23(4,5)6/h16H,17H2,1-15H3/b18-16-
- IUPAC Standard InChIKey: IHNCVZAILQVPPN-VLGSPTGOSA-N
- Chemical structure:
This structure is also available as a 2d Mol file - Stereoisomers:
- Other names: cis-Aconitic acid, tris(tert-butyldimethylsilyl) ester; (Z)-Aconitic acid, DMTBS; cis-Aconitic acid, TBDMS
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Gas Chromatography
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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
Van Den Dool and Kratz RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | VF-5MS | 2368.3 | 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 | DB-5 | 2386. | Paik, Lee, et al., 2005 | 30. m/0.25 mm/0.25 μm, Helium, 60. C @ 2. min, 4. K/min; Tend: 290. C |
| Capillary | DB-5 | 2389. | Kim, Kim, et al., 1990 | 30. m/0.25 mm/0.25 μm, 3. K/min; Tstart: 60. C; Tend: 280. C |
References
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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Tret'yakov, 2007
Tret'yakov, K.V.,
Retention Data. NIST Mass Spectrometry Data Center., NIST Mass Spectrometry Data Center, 2007. [all data]
Paik, Lee, et al., 2005
Paik, M.-J.; Lee, H.-J.; Kim, K.-R.,
Simultaneous retention index analysis of urinary amino acids and carboxylic acids for graphic recognition of abnormal state,
J. Chromatogr. B, 2005, 821, 1, 94-104, https://doi.org/10.1016/j.jchromb.2005.04.011
. [all data]
Kim, Kim, et al., 1990
Kim, K.-R.; Kim, J.-H.; Park, H.-K.,
Trace analysis as TBDMS derivatives of organic acids in aqueous samples,
J. Korean Chem. Soc., 1990, 34, 4, 352-359. [all data]
Notes
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- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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