Aceturic acid, TMS derivative
- Formula: C7H15NO3Si
- Molecular weight: 189.2844
- IUPAC Standard InChI: InChI=1S/C7H15NO3Si/c1-6(9)8-5-7(10)11-12(2,3)4/h5H2,1-4H3,(H,8,9)
- IUPAC Standard InChIKey: JCPCRRYZPFSMDS-UHFFFAOYSA-N
- CAS Registry Number: 25436-19-5
- 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. - Other names: Glycine, N-acetyl-, trimethylsilyl ester; Trimethylsilyl (acetylamino)acetate; Acetic acid, acetylamino, mono-TMS; Acetyl glycine, mono-TMS; Glycine, N-acetyl, TMS; N-Acetylglycine, trimethylsilyl ester; Acetylglycine, monotrimethylsilyl ester
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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 | NIST Mass Spectrometry Data Center |
| NIST MS number | 332804 |
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 | CP Sil 5 CB | 1253. | Wurth, Kumps, et al., 1989 | N2, 60. C @ 0.5 min, 6. K/min, 280. C @ 5. min |
| Packed | OV-1 | 1253. | Ramsdell and Tanaka, 1980 | N2, Anakrom, 4. K/min; Column length: 2. m; Tstart: 80. C |
| Packed | OV-1 | 1253. | 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 | VF-5MS | 1277.3 | Tret'yakov, 2007 | 30. m/0.25 mm/0.25 μm, He; Program: Multi-step temperature program; T(initial)=60C; T(final)=270C |
| Capillary | DB-1 | 1253. | Tsai, Oliphant, et al., 1985 | He; Program: not specified |
| Packed | OV-101 | 1253. | Tanaka and Hine, 1982 | Program: not specified |
Normal alkane RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-5 | 1279. | Kawana, Nakagawa, et al., 2008 | 30. m/0.25 mm/0.25 μm; Program: Total analysis run time was optimized to be 15 min |
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.
Wurth, Kumps, et al., 1989
Wurth, C.; Kumps, A.; Mardens, Y.,
Urinary organic acids: Retention indices on two capillary gas chromatography columns,
J. Chromatogr., 1989, 491, 186-192, https://doi.org/10.1016/S0378-4347(00)82831-5
. [all data]
Ramsdell and Tanaka, 1980
Ramsdell, H.S.; Tanaka, K.,
Gas chromatographic retention indices of twenty metabolically important acylglycines as trimethylsilyl derivatives,
J. Chromatogr., 1980, 181, 1, 90-94, https://doi.org/10.1016/S0378-4347(00)81273-6
. [all data]
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]
Tret'yakov, 2007
Tret'yakov, K.V.,
Retention Data. NIST Mass Spectrometry Data Center., NIST Mass Spectrometry Data Center, 2007. [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]
Tanaka and Hine, 1982
Tanaka, K.; Hine, D.G.,
Compilation of Gas Chromatographic Retention Indices of 163 Metabolically Important Organic Acids, and Their Use in Detection of Patients with Organic Acidurias,
J. Chromatogr., 1982, 239, 301-322, https://doi.org/10.1016/S0021-9673(00)81990-1
. [all data]
Kawana, Nakagawa, et al., 2008
Kawana, S.; Nakagawa, K.; Hesegawa, Y.; Kobayashi, H.; Yamaguchi, S.,
Improvement of sample throghput using gas chromatography-mass spectrometry for biochemical diagnosis of organic acid disorders,
Clin. Chim. Acta, 2008, 392, 1-2, 34-40, https://doi.org/10.1016/j.cca.2008.02.025
. [all data]
Notes
Go To: Top, Mass spectrum (electron ionization), Gas Chromatography, References
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