3-Hydroxyphenylacetic acid, 2TMS derivative
- Formula: C14H24O3Si2
- Molecular weight: 296.5096
- IUPAC Standard InChI: InChI=1S/C14H24O3Si2/c1-18(2,3)16-13-9-7-8-12(10-13)11-14(15)17-19(4,5)6/h7-10H,11H2,1-6H3
- IUPAC Standard InChIKey: DIZHLFUWBKEJBT-UHFFFAOYSA-N
- CAS Registry Number: 27750-55-6
- 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: Benzeneacetic acid, 3-[(trimethylsilyl)oxy]-, trimethylsilyl ester; Acetic acid, [m-(trimethylsiloxy)phenyl]-, trimethylsilyl ester; m-Hydroxyphenylacetic acid (tms); Trimethylsilyl (3-[(trimethylsilyl)oxy]phenyl)acetate; 3-Hydroxyphenylacetic acid, O-trimethylsilyl-, trimethylsilyl ester; 3-Hydroxyphenylacetic acid, diTMS; (3-Hydroxyphenyl)acetic acid, (2TMS)-; Benzeneacetic acid, 3-hydroxy, bis-TMS; Benzeneacetic acid, 3-hydroxy, diTMS; 3-Hydroxyphenylacetic acid, TMS; Benzeneacetic acid, 3-hydroxy, 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 | CP Sil 5 CB | DB-5 | OV-1 | SE-52 | CP Sil 5 CB |
| Column length (m) | 25. | 30. | 10. | 25. | |
| Carrier gas | He | He | He | N2 | |
| Substrate | |||||
| Column diameter (mm) | 0.15 | 0.25 | 0.22 | 0.32 | |
| Phase thickness (μm) | 0.12 | 1. | 0.17 | 0.52 | |
| Tstart (C) | 90. | 100. | 70. | 70. | 60. |
| Tend (C) | 270. | 290. | 270. | 270. | 280. |
| Heat rate (K/min) | 10. | 4. | 5. | 5. | 6. |
| Initial hold (min) | 1. | 4. | 0.5 | ||
| Final hold (min) | 7. | 10. | 5. | ||
| I | 1600. | 1616. | 1597. | 1619. | 1597. |
| Reference | Halket, Przyborowska, et al., 1999 | Kimura, Yamamoto, et al., 1999 | Lefevere, Verhaeghe, et al., 1989 | Lefevere, Verhaeghe, et al., 1989 | Wurth, Kumps, et al., 1989 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Packed | Packed |
|---|---|---|---|
| Active phase | Ultra-2 | OV-1 | OV-1 |
| Column length (m) | 25. | 1.8 | 2. |
| Carrier gas | He | N2 | He |
| Substrate | 100-120 mesh | Chromosorb W HP (80-100 mesh) | |
| Column diameter (mm) | 0.31 | ||
| Phase thickness (μm) | 0.52 | ||
| Tstart (C) | 50. | 70. | 100. |
| Tend (C) | 300. | 290. | 325. |
| Heat rate (K/min) | 5. | 28. | 10. |
| Initial hold (min) | 0.5 | ||
| Final hold (min) | |||
| I | 1619. | 1598. | 1600. |
| Reference | Tuchman, Bowers, et al., 1984 | Tanaka, Hine, et al., 1980 | Butts, 1972 |
| Comment | 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.
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]
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]
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]
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]
Butts, 1972
Butts, W.C.,
Two-Column Gas Chromatography of Trimethylsilyl Derivatives of Biochemically Significant Compounds,
Anal. Biochemistry, 1972, 46, 1, 187-199, https://doi.org/10.1016/0003-2697(72)90411-3
. [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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