Homogentisic acid, 3TMS derivative
- Formula: C17H32O4Si3
- Molecular weight: 384.6901
- IUPAC Standard InChI: InChI=1S/C17H32O4Si3/c1-22(2,3)19-15-10-11-16(20-23(4,5)6)14(12-15)13-17(18)21-24(7,8)9/h10-12H,13H2,1-9H3
- IUPAC Standard InChIKey: NLTJSNRUCPSKFR-UHFFFAOYSA-N
- CAS Registry Number: 55334-62-8
- Chemical structure:
This structure is also available as a 2d Mol file - Other names: Benzeneacetic acid, 2,5-bis[(trimethylsilyl)oxy]-, trimethylsilyl ester; Homogentisic acid (3TMS); Homogentisic acid, tris(trimethylsilyl); Benzeneacetic acid, 2,5-dihydroxy, triTMS; Homogentisic acid, bis(trimethylsilyl) ether, trimethylsilyl ester; Homogentisic acid, tri-TMS; Homogentistic acid, triTMS; Phenylacetic acid, 2,5-dihydroxy, bis(trimethylsilyl) ether, trimethylsilyl ester; Homogentisic acid, TMS; Phenylacetic acid, 2,5-dihydroxy, TMS; Benzeneacetic acid, 2,5-dihydroxy, TMS
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Gas Chromatography
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
Van Den Dool and Kratz RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-5 | 1860. | Jaroszynska and Ligor, 2005 | 30. m/0.25 mm/0.25 μm, He, 3. K/min; Tstart: 50. C; Tend: 320. C |
| Capillary | DB-5 | 1863. | Jaroszynska and Ligor, 2005 | 30. m/0.25 mm/0.25 μm, He, 3. K/min; Tstart: 50. C; Tend: 320. C |
| Capillary | DB-5 | 1864. | Jaroszynska and Ligor, 2005 | 30. m/0.25 mm/0.25 μm, He, 3. K/min; Tstart: 50. C; Tend: 320. C |
| Capillary | PE-5ht | 1863. | Jaroszynska and Ligor, 2005 | 30. m/0.25 mm/0.1 μm, He, 3. K/min; Tstart: 50. C; Tend: 320. C |
| Capillary | PE-5ht | 1867. | Jaroszynska and Ligor, 2005 | 30. m/0.25 mm/0.1 μm, He, 3. K/min; Tstart: 50. C; Tend: 320. C |
| Capillary | PE-5ht | 1867. | Jaroszynska and Ligor, 2005 | 30. m/0.25 mm/0.1 μm, He, 3. K/min; Tstart: 50. C; Tend: 320. C |
| Capillary | PE-5ht | 1867. | Jaroszynska and Ligor, 2005 | 30. m/0.25 mm/0.1 μm, He, 3. K/min; Tstart: 50. C; Tend: 320. C |
| Capillary | PE-5ms | 1839. | Jaroszynska and Ligor, 2005 | 30. m/0.25 mm/0.25 μm, He, 3. K/min; Tstart: 50. C; Tend: 320. C |
| Capillary | DB-5 | 1855. | Jaroszynska, 2003 | 30. m/0.25 mm/0.25 μm, He, 3. K/min; Tstart: 50. C; Tend: 240. C |
| Capillary | DB-5 | 1864. | Jaroszynska, 2003 | 30. m/0.25 mm/0.25 μm, He, 3. K/min; Tstart: 50. C; Tend: 240. C |
| Capillary | DB-5 | 1852. | Jaroszynska, 2003 | 30. m/0.25 mm/0.25 μm, He, 7. K/min; Tstart: 50. C; Tend: 240. C |
| Capillary | DB-5 | 1861. | Jaroszynska, 2003 | 30. m/0.25 mm/0.25 μm, He, 7. K/min; Tstart: 50. C; Tend: 240. C |
| Capillary | CP Sil 5 CB | 1850. | 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 | 1850. | 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 | OV-1 | 1860. | 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 | 1859. | Lefevere, Verhaeghe, et al., 1989 | 25. m/0.32 mm/0.52 μm, He, 5. K/min; Tstart: 70. C; Tend: 270. C |
| Packed | OV-1 | 1841. | 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 | VF-5MS | 1822.7 | 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 | 1834. | 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-5 | 1859. | Isidorov, Kotowska, et al., 2005 | 30. m/0.25 mm/0.25 μm, He; Tstart: 50. C; Tend: 300. C |
| Capillary | HP-5 | 1853. | Isidorov, Kotowska, et al., 2005 | 30. m/0.25 mm/0.25 μm, He, 5. K/min; Tstart: 50. C; Tend: 300. C |
| Capillary | HP-5MS | 1872. | 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.
Jaroszynska and Ligor, 2005
Jaroszynska, J.; Ligor, T.,
The identification of phenolic compounds by a gas chromatographic method on three capillary columns with the same non-polar stationary phase,
Anal. Chim. Acta., 2005, 539, 1-2, 11-15, https://doi.org/10.1016/j.aca.2005.03.024
. [all data]
Jaroszynska, 2003
Jaroszynska, J.,
Isolation of free phenolic compounds from arboreal leaves by use of the Florisil/C18 system,
Anal. Bioanal. Chem., 2003, 377, 4, 702-708, https://doi.org/10.1007/s00216-003-2155-z
. [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]
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]
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]
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]
Isidorov, Kotowska, et al., 2005
Isidorov, V.A.; Kotowska, U.; Vinogorova, V.T.,
GC Identification of organic compounds based on partition coefficients of their TMS derivatives in a hexane-acetonitrile system and retention indices,
Anal. Sci., 2005, 21, 12, 1483-1489, https://doi.org/10.2116/analsci.21.1483
. [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
Go To: Top, Gas Chromatography, References
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