Silanol, trimethyl-, phosphate (3:1)
- Formula: C9H27O4PSi3
- Molecular weight: 314.5385
- IUPAC Standard InChI: InChI=1S/C9H27O4PSi3/c1-15(2,3)11-14(10,12-16(4,5)6)13-17(7,8)9/h1-9H3
- IUPAC Standard InChIKey: QJMMCGKXBZVAEI-UHFFFAOYSA-N
- CAS Registry Number: 10497-05-9
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
View 3d structure (requires JavaScript / HTML 5) - Other names: Tris(trimethylsilyl) phosphate; Phosphoric acid, tris(trimethylsilyl) ester; Tris-(trimethylsilyl)fosfat; Phosphoric acid, tris-TMS; Phosphoric acid, triTMS; Phosphoric acid, TMS
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Van Den Dool and Kratz RI, non-polar column, temperature ramp
Go To: Top, 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
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | VF-5MS | PE-5 | DB-5 | HP-5 | OV-1 |
| Column length (m) | 30. | 30. | 30. | 25. | 10. |
| Carrier gas | He | He | He | He | He |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.31 | 0.22 |
| Phase thickness (μm) | 0.25 | 1. | 0.52 | 0.17 | |
| Tstart (C) | 60. | 50. | 100. | 100. | 70. |
| Tend (C) | 270. | 250. | 290. | 290. | 270. |
| Heat rate (K/min) | 5. | 4. | 5. | 5. | |
| Initial hold (min) | 4. | 5. | |||
| Final hold (min) | 10. | 15. | |||
| I | 1286. | 1290. | 1283. | 1280. | 1285. |
| Reference | Zheng, 2011 | Isidorov and Vinogorova, 2003 | Kimura, Yamamoto, et al., 1999 | Antoshechkin, Golovkin, et al., 1989 | Lefevere, Verhaeghe, et al., 1989 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Packed |
|---|---|---|---|---|
| Active phase | SE-52 | SE-52 | Ultra-2 | OV-1 |
| Column length (m) | 25. | 25. | 25. | 1.8 |
| Carrier gas | He | He | He | N2 |
| Substrate | 100-120 mesh | |||
| Column diameter (mm) | 0.32 | 0.20 | 0.31 | |
| Phase thickness (μm) | 0.52 | 0.40 | 0.52 | |
| Tstart (C) | 70. | 50. | 50. | 70. |
| Tend (C) | 270. | 270. | 300. | 290. |
| Heat rate (K/min) | 5. | 5. | 5. | 28. |
| Initial hold (min) | 0.5 | |||
| Final hold (min) | ||||
| I | 1288. | 1289. | 1289. | 1276. |
| Reference | Lefevere, Verhaeghe, et al., 1989 | Lefevere, Verhaeghe, et al., 1988 | Tuchman, Bowers, et al., 1984 | Tanaka, Hine, et al., 1980 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
References
Go To: Top, Van Den Dool and Kratz RI, non-polar column, temperature ramp, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Zheng, 2011
Zheng, Yufang,
Retention Data. NIST Mass Spectrometry Data Center., NIST Mass Spectrometry Data Center, 2011. [all data]
Isidorov and Vinogorova, 2003
Isidorov, V.A.; Vinogorova, V.T.,
GC-MS analysis of compounds extracted from buds of Populus balsamifera and Populus nigra,
Z. Naturforsch. C:, 2003, 58, 355-360. [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]
Antoshechkin, Golovkin, et al., 1989
Antoshechkin, A.G.; Golovkin, A.B.; Maximova, L.A.; Bakharev, V.A.,
Screening of amniotic fluid metabolites by gas chromatography-mass spectrometry,
J. Chromatogr., 1989, 489, 2, 353-358, https://doi.org/10.1016/S0378-4347(00)82913-8
. [all data]
Lefevere, Verhaeghe, et al., 1989
Lefevere, M.F.; Verhaeghe, B.J.; Declerck, D.H.; Van Bocxlaer, J.F.; De Leenheer, A.P.; De Sagher, R.M.,
Metabolic Profiling of Urinary Organic Acids by Single and Multicolumn Capillary Gas Chromatography,
J. Chromatogr. Sci., 1989, 27, 1, 23-29, https://doi.org/10.1093/chromsci/27.1.23
. [all data]
Lefevere, Verhaeghe, et al., 1988
Lefevere, M.F.; Verhaeghe, B.J.; Declerck, D.M.; de Leenheer, A.P.,
Automated profiling of urinary organic acids by dual-column gas chromatography and gas chromatography/mass spectrometry,
Biomed. Environ. Mass Spectrom., 1988, 15, 6, 311-322, https://doi.org/10.1002/bms.1200150603
. [all data]
Tuchman, Bowers, et al., 1984
Tuchman, M.; Bowers, L.D.; Fregien, K.D.; Crippin, P.J.; Krivit, W.,
Capillary Gas Chromatographic Separation of Urinary Organic Acids. Retention Indices of 101 Urinary Acids on a 5% Phenylmethyl Silicone Capillary Column,
J. Chromatogr. Sci., 1984, 22, 5, 198-202, https://doi.org/10.1093/chromsci/22.5.198
. [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]
Notes
Go To: Top, Van Den Dool and Kratz RI, non-polar column, temperature ramp, References
- Symbols used in this document:
Tend Final temperature Tstart Initial temperature - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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