4-Hydroxyphenyllactic acid, 3TMS derivative
- Formula: C18H34O4Si3
- Molecular weight: 398.7167
- IUPAC Standard InChI: InChI=1S/C18H34O4Si3/c1-23(2,3)20-16-12-10-15(11-13-16)14-17(21-24(4,5)6)18(19)22-25(7,8)9/h10-13,17H,14H2,1-9H3
- IUPAC Standard InChIKey: ZSYIYFFJWIPCPN-UHFFFAOYSA-N
- CAS Registry Number: 27750-67-0
- Chemical structure:
This structure is also available as a 2d Mol file - Other names: Benzenepropanoic acid, α,4-bis[(trimethylsilyl)oxy]-, trimethylsilyl ester; Hydrocinnamic acid, p,α-bis(trimethylsiloxy)-, trimethylsilyl ester; 4-Hydroxyphenyllactic acid, tris(trimethylsilyl) deriv.; Trimethylsilyl 2-[(trimethylsilyl)oxy]-3-(4-[(trimethylsilyl)oxy]phenyl)propanoate; 4-Hydroxyphenyllactate, (3TMS); 4-Hydroxyphenyllactic acid, tris-TMS; 4-Hydroxyphenyllactic acid, tri-TMS; Phenyllactic acid, 4-hydroxy, (3TMS); DL-p-Hydroxyphenyllactic acid, O,O'-bis(trimethylsilyl)-, trimethylsilyl ester; Propanoic acid, 2-trimethylsilyloxy-3-(4-trimethylsilyloxyphenyl), trimethylsilyl ester; Phenyllactic acid, 4-hydroxy, tri-TMS; 4-Hydroxyphenyllactate, TMS; Phenyllactic acid, 4-hydroxy, TMS; 4-Hydroxyphenyllactic acid, diTMS; 4-Hydroxyphenyllactic acid, TMS
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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 | Diagnosis of Organic Acidemias by GC/MS |
| NIST MS number | 292706 |
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 | 1919. | Ohie, Fu, et al., 2000 | 30. m/0.25 mm/0.25 μm, 100. C @ 1. min, 10. K/min, 300. C @ 15. min |
| Capillary | CP Sil 5 CB | 1928. | 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 | 1919. | Kimura, Yamamoto, et al., 1999 | 30. m/0.25 mm/1. μm, He, 100. C @ 4. min, 4. K/min, 290. C @ 10. min |
| Capillary | HP-5 | 1894. | Antoshechkin, Golovkin, et al., 1989 | 25. m/0.31 mm/0.52 μm, He, 100. C @ 5. min, 5. K/min, 290. C @ 15. min |
| Capillary | DB-1 | 1907. | Hoffmann, Aramaki, et al., 1989 | 30. m/0.53 mm/1. μm, He, 4. K/min; Tstart: 70. C; Tend: 290. C |
| Capillary | OV-1 | 1910. | Lefevere, Verhaeghe, et al., 1989 | 10. m/0.22 mm/0.17 μm, He, 5. K/min; Tstart: 70. C; Tend: 270. C |
| Capillary | SE-52 | 1920. | Lefevere, Verhaeghe, et al., 1989 | 25. m/0.32 mm/0.52 μm, He, 5. K/min; Tstart: 70. C; Tend: 270. C |
| Capillary | CP Sil 5 CB | 1908. | Wurth, Kumps, et al., 1989 | N2, 60. C @ 0.5 min, 6. K/min, 280. C @ 5. min |
| Capillary | Ultra-2 | 1921. | Tuchman, Bowers, et al., 1984 | 25. m/0.31 mm/0.52 μm, He, 5. K/min; Tstart: 50. C; Tend: 300. C |
| Packed | OV-1 | 1909. | 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 |
| Packed | OV-1 | 1912. | Mattsson and Petersson, 1977 | N2, Supelcoport, 4. K/min; Column length: 2. m; Tstart: 80. C; Tend: 240. C |
| Packed | OV-1 | 1912. | Butts, 1972 | He, Chromosorb W HP (80-100 mesh), 10. K/min; Column length: 2. m; Tstart: 100. C; Tend: 325. C |
Van Den Dool and Kratz RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-1 | 1906. | Tsai, Oliphant, et al., 1985 | He; Program: not specified |
Normal alkane RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | HP-5MS | 1935. | 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 |
| Capillary | HP-5 | 1923. | Richards, Wong, et al., 1992 | 25. m/0.32 mm/0.52 μm, He, 70. C @ 10. min, 5. 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]
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]
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]
Hoffmann, Aramaki, et al., 1989
Hoffmann, G.; Aramaki, S.; Blum-Hoffmann, E.; Nyhan, W.L.; Sweetman, L.,
Quantitative analysis for organic acids in biological samples: batch isolation followed by gas chromatographic-mass spectrometric analysis,
Clin. Chem., 1989, 35, 4, 587-595. [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]
Mattsson and Petersson, 1977
Mattsson, M.; Petersson, G.,
Reference GLC Data for the Analysis of Phenolic Compounds as Trimethylsilyl Derivatives,
J. Chromatogr. Sci., 1977, 15, 12, 546-554, https://doi.org/10.1093/chromsci/15.12.546
. [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]
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]
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]
Richards, Wong, et al., 1992
Richards, M.; Wong, Y.S.; Tan, W.C.; Tan, I.K.; Ng, T.L.,
Profiling urinary organic acids for the diagnosis of inborn errors of metabolism by GC/MS,
Bull. Sing. N.I. Chem., 1992, 20, 135-143. [all data]
Notes
Go To: Top, Mass spectrum (electron ionization), Gas Chromatography, References
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