2-Butenedioic acid, (E)-, 2TBDMS derivative
- Formula: C16H32O4Si2
- Molecular weight: 344.5939
- IUPAC Standard InChI: InChI=1S/C16H32O4Si2/c1-15(2,3)21(7,8)19-13(17)11-12-14(18)20-22(9,10)16(4,5)6/h11-12H,1-10H3/b12-11+
- IUPAC Standard InChIKey: DDBSDNFXXPFNND-VAWYXSNFSA-N
- CAS Registry Number: 99461-81-1
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
The 3d structure may be viewed using Java or Javascript. - Species with the same structure:
- Stereoisomers:
- Other names: Bis(dimethyl-t-butylsilyl) fumarate; 2-Butenedioic acid, bis-DMTBS; Fumaric acid, diTBDMS; Fumaric acid, bis-TBDMS ester; Fumaric acid, TBDMS; Fumaric acid, DMTBS
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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.E. COLEMAN, US ENVIRON. PROT. AGENCY, CINCINNATI, OHIO, USA |
| NIST MS number | 112428 |
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 | DB-5 | 1786. | Ohie, Fu, et al., 2000 | 30. m/0.25 mm/0.25 μm, 100. C @ 1. min, 10. K/min, 300. C @ 15. min |
Van Den Dool and Kratz RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | Methyl Silicone | 1744. | Peng, Yang, et al., 1991 | Program: not specified |
Normal alkane RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-5 | 1787. | 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 | 1786.39 | Kim, Kim, et al., 1993 | 30. m/0.25 mm/0.241 μm, 4. K/min; Tstart: 60. C; Tend: 280. C |
| Capillary | DB-5 | 1787. | Kim, Kim, et al., 1990 | 30. m/0.25 mm/0.25 μm, 3. K/min; Tstart: 60. C; Tend: 280. C |
| Capillary | DB-1 | 1779. | Kim, Hahn, et al., 1989 | 30. m/0.32 mm/0.25 μm, N2, 60. C @ 2. min, 4. K/min; Tend: 280. C |
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.
Ohie, Fu, et al., 2000
Ohie, T.; Fu, X.; Iga, M.; Kimura, M.; Yamaguchi, S.,
Gas chromatography-mass spectrometry with tert .-butyldimethylsilyl derivatization: use of the simplified sample preparations and the automated data system to screen for organic acidemias,
J. Chromatogr. B, 2000, 746, 1, 63-73, https://doi.org/10.1016/S0378-4347(00)00105-5
. [all data]
Peng, Yang, et al., 1991
Peng, C.T.; Yang, Z.C.; Maltby, D.,
Prediction of retention indexes. III. Silylated derivatives of polar compounds,
J. Chromatogr., 1991, 586, 1, 113-129, https://doi.org/10.1016/0021-9673(91)80029-G
. [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., 1993
Kim, K.-R.; Kim, J.-H.; Park, H.-K.; Oh, C.-H.,
Dual capillary column system for the qualitative gas chromatography: 2. Comparison between splitless and on-column injection modes,
Bull. Korean Chem. Soc., 1993, 14, 2, 250-255. [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]
Kim, Hahn, et al., 1989
Kim, K.R.; Hahn, M.K.; Zlatkis, A.; Horning, E.C.; Middleditch, B.S.,
Simultaneous gas chromatography of volatile and nonvolatile carboxylic acids as tert.-butyldimethylsilyl derivatives,
J. Chromatogr., 1989, 468, 289-301, https://doi.org/10.1016/S0021-9673(00)96323-4
. [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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