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Oxalic acid, 2TMS derivative

Gas Chromatography

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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

Kovats' RI, non-polar column, isothermal

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Column type Active phase Temperature (C) I Reference Comment
PackedOV-1160.1100.Petersson, 1977N2, Chromosorb G (100-120 mesh); Column length: 2. m

Van Den Dool and Kratz RI, non-polar column, temperature ramp

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Column type Active phase I Reference Comment
CapillaryDB-5MS1145.4Jonsson, Johansson, et al., 200510. m/0.18 mm/0.18 «mu»m, 70. C @ 2. min, 40. K/min, 320. C @ 2. min
CapillaryCP Sil 5 CB1111.Halket, Przyborowska, et al., 199925. m/0.15 mm/0.12 «mu»m, 90. C @ 1. min, 10. K/min, 270. C @ 7. min
CapillaryDB-51131.Kimura, Yamamoto, et al., 199930. m/0.25 mm/1. «mu»m, He, 100. C @ 4. min, 4. K/min, 290. C @ 10. min
CapillaryOV-11125.Lefevere, Verhaeghe, et al., 198910. m/0.22 mm/0.17 «mu»m, He, 5. K/min; Tstart: 70. C; Tend: 270. C
CapillarySE-521138.Lefevere, Verhaeghe, et al., 198925. m/0.32 mm/0.52 «mu»m, He, 5. K/min; Tstart: 70. C; Tend: 270. C
CapillaryCP Sil 5 CB1116.Wurth, Kumps, et al., 1989N2, 60. C @ 0.5 min, 6. K/min, 280. C @ 5. min
CapillaryUltra-21139.Tuchman, Bowers, et al., 198425. m/0.31 mm/0.52 «mu»m, He, 5. K/min; Tstart: 50. C; Tend: 300. C
PackedOV-11116.Tanaka, Hine, et al., 1980N2, 100-120 mesh, 70. C @ 0.5 min, 28. K/min; Column length: 1.8 m; Tend: 290. C
PackedOV-11114.Butts, 1972He, 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

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Column type Active phase I Reference Comment
CapillaryVF-5MS1132.6Tret'yakov, 200830. m/0.25 mm/0.25 «mu»m, He; Program: Multi-step temperature program; T(initial)=60C; T(final)=270C
CapillaryMethyl Silicone1124.Geissler, Kawana, et al., 2007Program: not specified
CapillaryDB-11119.Tsai, Oliphant, et al., 1985He; Program: not specified
PackedOV-1011116.Tanaka and Hine, 1982Program: not specified

Normal alkane RI, non-polar column, temperature ramp

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Column type Active phase I Reference Comment
CapillaryHP-5 MS1122.Erxleben, Gessler, et al., 201230. m/0.25 mm/0.25 «mu»m, 5. K/min; Tstart: 80. C; Tend: 320. C
CapillaryHP-51139.Isidorov, Kotowska, et al., 200530. m/0.25 mm/0.25 «mu»m, He; Tstart: 50. C; Tend: 300. C
CapillaryHP-5MS1150.Lee, Yanamandra, et al., 200230. m/0.25 mm/0.25 «mu»m, He, 70. C @ 3. min, 4. K/min, 280. C @ 3. min
CapillaryHP-51133.Richards, Wong, et al., 199225. m/0.32 mm/0.52 «mu»m, He, 70. C @ 10. min, 5. K/min; Tend: 280. C
PackedSE-301114.Butts and Rainey, 19715. K/min; Tstart: 70. C; Tend: 150. C


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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Petersson, 1977
Petersson, G., Retention Data in GLC Analysis; Carbohydrate-Related Hydroxy Carboxylic and Dicarboxylic Acids as Trimethylsilyl Derivatives, J. Chromatogr. Sci., 1977, 15, 7, 245-255, https://doi.org/10.1093/chromsci/15.7.245 . [all data]

Jonsson, Johansson, et al., 2005
Jonsson, P.; Johansson, A.I.; Gullberg, J.; Trygg, J.; Jiye, A.; Grung, B.; Marklund, S.; Sjöström, M.; Antti, H.; Moritz, T., High-throughput data analysis for detecting and identifying differences between samples in GC/MS-based metabolomic analyses, Anal. Chem., 2005, 77, 17, 5635-5642, https://doi.org/10.1021/ac050601e . [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]

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]

Erxleben, Gessler, et al., 2012
Erxleben, A.; Gessler, A.; Vervliet-Scheebaum, M.; Reski, R., Metabolite profiling of the moss Physcomitrella patens reveals evolutionary conservation of osmoprotective substances, Plant Cell Rep., 2012, 31, 2, 427-436, https://doi.org/10.1007/s00299-011-1177-9 . [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]

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]

Butts and Rainey, 1971
Butts, W.C.; Rainey, W.T., Jr., Gas Chromatography and Mass Spectrometry of the Trimethylsilyl Derivatives of Inorganic Anions, Anal. Chem., 1971, 43, 4, 538-542, https://doi.org/10.1021/ac60299a004 . [all data]


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