ACETYLASPARTIC ACID diTMS
- Formula: C12H25NO5Si2
- Molecular weight: 319.5016
- IUPAC Standard InChI: InChI=1S/C12H25NO5Si2/c1-9(14)13-10(12(16)18-20(5,6)7)8-11(15)17-19(2,3)4/h10H,8H2,1-7H3,(H,13,14)
- IUPAC Standard InChIKey: ATJCPJZSHSEVIW-UHFFFAOYSA-N
- Chemical structure:
This structure is also available as a 2d Mol file - Other names: N-Acetylaspartic acid, diTMS; N-Acetylaspartic acid, bis-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 |
|---|---|---|---|---|
| Capillary | CP Sil 5 CB | 1640. | Halket, Przyborowska, et al., 1999 | 25. m/0.15 mm/0.12 μm, 90. C @ 1. min, 10. K/min, 270. C @ 7. min |
| Capillary | DB-5 | 1671. | Kimura, Yamamoto, et al., 1999 | 30. m/0.25 mm/1. μm, He, 100. C @ 4. min, 4. K/min, 290. C @ 10. min |
Normal alkane RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | HP-5MS | 1708. | Lee, Yanamandra, et al., 2002 | 30. m/0.25 mm/0.25 μm, He, 70. C @ 3. min, 4. K/min, 280. C @ 3. min |
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.
Halket, Przyborowska, et al., 1999
Halket, J.N.; Przyborowska, A.; Stein, S.E.; Mallard, W.G.; Down, S.; Chalmers, R.,
Deconvolution gas chromatography / mass spectrometry of urinary organic acids - potential for pattern recognition and automated identification of metabolic disorders,
Rapid Commun. Mass spectrom., 1999, 13, 4, 279-284, https://doi.org/10.1002/(SICI)1097-0231(19990228)13:4<279::AID-RCM478>3.0.CO;2-I
. [all data]
Kimura, Yamamoto, et al., 1999
Kimura, M.; Yamamoto, T.; Yamaguchi, S.,
Automated metabolic profiling and interpretation of GC/MS data for organic acidemia screening: a personal computer-based system,
Tohoku J. Exp. Med., 1999, 188, 4, 317-334, https://doi.org/10.1620/tjem.188.317
. [all data]
Lee, Yanamandra, et al., 2002
Lee, B.Y.; Yanamandra, K.; Thurmon, T.F.,
Quantitative estimation of organic analytes with a capillary column,
Am. Clin. Lab., 2002, May, 30-34. [all data]
Notes
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- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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