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Palmitic Acid, TMS 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

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

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Column type Active phase I Reference Comment
CapillaryPE-52053.Isidorov and Vinogorova, 2003He, 5. K/min; Column length: 30. m; Column diameter: 0.25 mm; Tstart: 50. C; Tend: 250. C
CapillaryDB-52047.Kimura, Yamamoto, et al., 199930. m/0.25 mm/1. «mu»m, He, 100. C @ 4. min, 4. K/min, 290. C @ 10. min
CapillaryUltra-12039.10Richmond and Pombo-Villar, 199725. m/0.32 mm/0.52 «mu»m, 15. K/min, 320. C @ 10. min; Tstart: 35. C
CapillaryHP-52015.Antoshechkin, Golovkin, et al., 198925. m/0.31 mm/0.52 «mu»m, He, 100. C @ 5. min, 5. K/min, 290. C @ 15. min
CapillaryOV-12043.Harvey, 198950. m/0.30 mm/0.52 «mu»m, He, 2. K/min; Tstart: 130. C; Tend: 280. C
CapillaryDB-12041.Hoffmann, Aramaki, et al., 198930. m/0.53 mm/1. «mu»m, He, 4. K/min; Tstart: 70. C; Tend: 290. C
CapillaryOV-12042.Lefevere, Verhaeghe, et al., 198910. m/0.22 mm/0.17 «mu»m, He, 5. K/min; Tstart: 70. C; Tend: 270. C
CapillarySE-522046.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 CB2041.Wurth, Kumps, et al., 1989N2, 60. C @ 0.5 min, 6. K/min, 280. C @ 5. min
CapillaryUltra-22050.Tuchman, Bowers, et al., 198425. m/0.31 mm/0.52 «mu»m, He, 5. K/min; Tstart: 50. C; Tend: 300. C
PackedOV-12043.Tanaka, Hine, et al., 1980N2, 100-120 mesh, 70. C @ 0.5 min, 28. K/min; Column length: 1.8 m; Tend: 290. C

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

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Column type Active phase I Reference Comment
CapillaryPolydimethyl siloxane with 5 % phenyl groups2050.Kempa, Hummel, et al., 2009Program: not specified
CapillaryVF-5MS2040.0Tret'yakov, 200730. m/0.25 mm/0.25 «mu»m, He; Program: Multi-step temperature program; T(initial)=60C; T(final)=270C
CapillaryMethyl Silicone2036.Peng, Yang, et al., 1991Program: not specified
CapillaryDB-12040.Tsai, Oliphant, et al., 1985He; Program: not specified
PackedOV-1012043.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 MS2050.Kim and Chung, 200930. m/0.25 mm/0.25 «mu»m, Helium, 35. C @ 5. min, 2. K/min, 195. C @ 30. min
CapillaryRTX-5 Sil MS2047.Lytovchenko, Beleggia, et al., 200930. m/0.25 mm/0.25 «mu»m, Helium, 70. C @ 5. min, 5. K/min, 310. C @ 1. min
CapillaryDB-5 MS2037.Yan, A., et al., 200910. m/0.18 mm/0.18 «mu»m, Helium, 70. C @ 2. min, 35. K/min, 310. C @ 2. min
CapillaryHP-52050.Isidorov, Lech, et al., 200830. m/0.25 mm/0.25 «mu»m, Helium, 3. K/min, 300. C @ 30. min; Tstart: 50. C
CapillaryHP-52050.Isidorov, Lech, et al., 200830. m/0.25 mm/0.25 «mu»m, Helium, 3. K/min, 300. C @ 30. min; Tstart: 50. C
CapillaryHP-52052.Isidorov, Olchowik, et al., 200730. m/0.25 mm/0.25 «mu»m, He, 5. K/min; Tstart: 50. C; Tend: 300. C
CapillaryHP-52050.Isidorov, Kotowska, et al., 200530. m/0.25 mm/0.25 «mu»m, He; Tstart: 50. C; Tend: 300. C
CapillaryHP-52052.Isidorov, Kotowska, et al., 200530. m/0.25 mm/0.25 «mu»m, He, 5. K/min; Tstart: 50. C; Tend: 300. C
CapillaryHP-5MS2054.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-52051.Richards, Wong, et al., 199225. m/0.32 mm/0.52 «mu»m, He, 70. C @ 10. min, 5. K/min; Tend: 280. C

Normal alkane RI, non-polar column, custom temperature program

View large format table.

Column type Active phase I Reference Comment
CapillaryPolydimethyl siloxane2046.Supplemental Table S3, 2012Program: not specified
CapillaryMethylsiloxane, 5 % Ph groups2049.Cao, Aa, et al., 2011Program: not specified
CapillaryHP-52050.Isidorov, Lech, et al., 200830. m/0.25 mm/0.25 «mu»m, Helium; Program: not specified
CapillaryHP-52052.Isidorov, Lech, et al., 200830. m/0.25 mm/0.25 «mu»m, Helium; Program: not specified
CapillaryRTx-5 Sil MS2050.Birkemeier and Kopka, 200730. m/0.25 mm/0.25 «mu»m, Helium; Program: 70 0C (1 min) 1 0C/min -> 76 0C 6.09 0C/min -> 350 0C (1 min) -> 330 0C (10 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.

Isidorov and Vinogorova, 2003
Isidorov, V.A.; Vinogorova, V.T., GC-MS analysis of compounds extracted from buds of Populus balsamifera and Populus nigra, Z. Naturforsch. C:, 2003, 58, 355-360. [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]

Richmond and Pombo-Villar, 1997
Richmond, R.; Pombo-Villar, E., Short communication. Gas chromatography-mass spectrometry coupled with pseudo-Sadtler retention indices, for the identification of components in the essential oil of Curcuma longa L., J. Chromatogr. A, 1997, 760, 2, 303-308, https://doi.org/10.1016/S0021-9673(96)00802-3 . [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]

Harvey, 1989
Harvey, D.J., Identification of long-chain fatty acids and alcohols from human cerumen by the use of picolinyl and nicotinate esters, Biomed. Environ. Mass Spectrom., 1989, 18, 9, 719-723, https://doi.org/10.1002/bms.1200180912 . [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]

Kempa, Hummel, et al., 2009
Kempa, S.; Hummel, J.; Schwemmer, T.; Pietzke, M.; Strehmel, N.; Wienkoop, S.; Kopka, J.; Weckwerth, W., An automated GCxGC-TOF-MS protocol for batch-wise extraction and alinmebt of mass isotopomer matrixes from differential 13C-labeling experiments: a case study for photoautotrophic-mixotrophic grown Chlamydomonas reinhardtii cells, J. Basic Microbiol., 2009, 49, 1, 82-91, https://doi.org/10.1002/jobm.200800337 . [all data]

Tret'yakov, 2007
Tret'yakov, K.V., Retention Data. NIST Mass Spectrometry Data Center., NIST Mass Spectrometry Data Center, 2007. [all data]

Peng, Yang, et al., 1991
Peng, C.T.; Yang, Z.C.; Maltby, D., Prediction of retention indexes. III. Silylated derivatives of polar compounds, J. Chromatogr., 1991, 586, 1, 113-129, https://doi.org/10.1016/0021-9673(91)80029-G . [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]

Kim and Chung, 2009
Kim, J.-S.; Chung, H.Y., GC-MS analysis of the volatile components in dried boxthorn (Lycium chimensis) Fruit, J. Korean Soc. Appl. Biol. Chem., 2009, 52, 5, 516-524, https://doi.org/10.3839/jksabc.2009.088 . [all data]

Lytovchenko, Beleggia, et al., 2009
Lytovchenko, A.; Beleggia, R.; Schauer, N.; Isaacson, T.; Leuendorf, J.E.; Hellmann, H.; Rose, J.K.C.; Fernie, A.R., Application of GC-MS fpr the detection of lipophilic compounds in diverse plant tissues, Plant Methods, 2009, 5, 4, 1-11. [all data]

Yan, A., et al., 2009
Yan, B.; A.; Wang, G.; Lu, H.; Huang, X.; Liu, Y.; Zha, W.; Hao, H.; Zhang, Y.; Liu, L.; Gu, S.; Huang, Q.; Zheng, Y.; Sun, J., Metabolomic investigation into variation of endogenous metabolites in professional athletes subject to strength-endurance training, J. Appl. Physiol., 2009, 106, 2, 531-538, https://doi.org/10.1152/japplphysiol.90816.2008 . [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]

Isidorov, Olchowik, et al., 2007
Isidorov, V.A.; Olchowik, E.; Vinogorova, V.T., Simplified extraction procedure and gas chromatographic determination of acid compounds in plant material, Chemia Analityczna, 2007, 52, 3, 423-433. [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]

Supplemental Table S3, 2012
Supplemental Table S3, Manually identified analytes present in all three independent not-lethal salt stress acclimation experiments, 2012, retrieved from www.plosone.org/article/fetchSingleRepresentation.action?uri. [all data]

Cao, Aa, et al., 2011
Cao, B.; Aa, J.; Wang, G.; Wu, X.; Liu, L.; Li, M.; Shi, J.; Wang, X.; Zhao, C.; Zheng, T.; Guo, S.; Duan, J., GC-TOFMS analysis of metabolites in adherent MDCK cells and a movel strategy for identifying intracellular metabolic markers for use as cell amount indicators in data normalization, Anal. Bioanal. Chem., 2011, 400, 9, 2983-2993, https://doi.org/10.1007/s00216-011-4981-8 . [all data]

Birkemeier and Kopka, 2007
Birkemeier, C.; Kopka, J., Design of metabolite recovery by variations of the metabolite profiling protocol in Concepts in Plant Metabolomics, Nikolau, B.J.; Wurtele, E.S., ed(s)., Springer, Dordrecht, Netheralnds, 2007, 45-69. [all data]


Notes

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