3-Hexenedioic acid, (E)-, 2TMS derivative
- Formula: C12H24O4Si2
- Molecular weight: 288.4876
- IUPAC Standard InChI: InChI=1S/C12H24O4Si2/c1-17(2,3)15-11(13)9-7-8-10-12(14)16-18(4,5)6/h7-8H,9-10H2,1-6H3/b8-7+
- IUPAC Standard InChIKey: ZHDWBZJDVFQQQO-BQYQJAHWSA-N
- Chemical structure:
This structure is also available as a 2d Mol file - Stereoisomers:
- Other names: trans-3-Hexenedioic acid, bis(trimethylsilyl) ester; trans-3-Hydromuconic acid, TMS; trans-3-Hexenedioic acid, TMS; trans-3-Dihydromuconic acid, TMS
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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, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Packed | OV-1 | 1506. | Tanaka, Hine, et al., 1980 | N2, 100-120 mesh, 70. C @ 0.5 min, 28. K/min; Column length: 1.8 m; Tend: 290. C |
Van Den Dool and Kratz RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-1 | 1503. | Tsai, Oliphant, et al., 1985 | He; Program: not specified |
Normal alkane RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | SPB-1 | 1510. | Jin and Tserng, 1989 | 30. m/0.25 mm/0.25 μm, Helium, 4. K/min; Tstart: 60. C; Tend: 250. 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.
Tanaka, Hine, et al., 1980
Tanaka, K.; Hine, D.G.; West-Dull, A.; Lynn, T.B.,
Gas-chromatographic method of analysis for urinary organic acids. I. Retention indices of 155 metabolically important compounds,
Clin. Chem., 1980, 26, 13, 1839-1846. [all data]
Tsai, Oliphant, et al., 1985
Tsai, M.Y.; Oliphant, C.; Josephson, M.W.,
Identification of Metabolites Diagnostic for Organic Acidurias by Simultaneous Dual-Column Capillary Gas Chromatography,
J. Chromatogr., 1985, 341, 1-10, https://doi.org/10.1016/S0378-4347(00)84004-9
. [all data]
Jin and Tserng, 1989
Jin, S.-J.; Tserng, K.-Y.,
Identification of isomeric unsaturated medium-chain dicarboxylic acids in human urine,
J. Lipid Res., 1989, 30, 1611-1619. [all data]
Notes
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- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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