Glycolic acid, 2TMS derivative
- Formula: C8H20O3Si2
- Molecular weight: 220.4136
- IUPAC Standard InChIKey: MAEQOWMWOCEXKP-UHFFFAOYSA-N
- CAS Registry Number: 33581-77-0
- 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. - Species with the same structure:
- Other names: Acetic acid, [(trimethylsilyl)oxy]-, trimethylsilyl ester; Acetic acid, (trimethylsiloxy)-, trimethylsilyl ester; Trimethylsilyl (trimethylsilyloxy)acetate; Trimethylsilyl trimethylsiloxyacetate; Glycolic acid, bis-TMS; Glycolic acid, di-TMS; Glycolic acid, (2TMS); Glycolic acid, trimethylsilyl ether, trimethylsilyl ester; Glycolic 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 | NIST Mass Spectrometry Data Center |
NIST MS number | 352446 |
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 | 1072. | 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 | 1078. | 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 | DB-1 | 1077. | 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 | 1077. | 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 | 1080. | 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 | 1070. | Wurth, Kumps, et al., 1989 | N2, 60. C @ 0.5 min, 6. K/min, 280. C @ 5. min |
Capillary | Ultra-2 | 1081. | 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 | 1070. | 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 | 1045. | 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 | 1070.5 | Tret'yakov, 2008 | 30. m/0.25 mm/0.25 μm, He; Program: Multi-step temperature program; T(initial)=60C; T(final)=270C |
Capillary | Methyl Silicone | 1072. | Geissler, Kawana, et al., 2007 | Program: not specified |
Capillary | DB-1 | 1073. | Tsai, Oliphant, et al., 1985 | He; Program: not specified |
Packed | OV-101 | 1070. | Tanaka and Hine, 1982 | Program: not specified |
Normal alkane RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | HP-5 | 1083. | Isidorov, Lech, et al., 2008 | 30. m/0.25 mm/0.25 μm, Helium, 3. K/min, 300. C @ 30. min; Tstart: 50. C |
Capillary | HP-5MS | 1085. | 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 |
Normal alkane RI, non-polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | HP-5 | 1080. | Isidorov, Lech, et al., 2008 | 30. m/0.25 mm/0.25 μm, Helium; Program: not specified |
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.
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]
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]
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, 2008
Tret'yakov, K.V.,
Retention Data. NIST Mass Spectrometry Data Center., NIST Mass Spectrometry Data Center, 2008. [all data]
Geissler, Kawana, et al., 2007
Geissler, M.; Kawana, S.; Nakagawa, K.,
Analysis of urine organic acids using linear retention indices for the determination of metabolic disorders,
LC-GC Europe, 2007, 26-27, retrieved from http://licance.icopyright.net/user/viewFreeUse.act?fuid=NjA1MTI0NQ%3D%3D. [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]
Isidorov, Lech, et al., 2008
Isidorov, V.A.; Lech, P.; Zolciak, A.; Rusak, N.; Szczepaniak, L.,
Gas Chromatographic - nass spectrometric investigation of metabolites from the needles and roots of pine seedlings at early stages of pathogenic fungi Armillaria ostoyae attack,
Trees, 2008, 22, 4, 531-542, https://doi.org/10.1007/s00468-008-0213-z
. [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, Mass spectrum (electron ionization), Gas Chromatography, References
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