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Palmitic Acid, TMS derivative


Mass spectrum (electron ionization)

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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

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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 333711

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Gas Chromatography

Go To: Top, Mass spectrum (electron ionization), NIST Free Links, 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

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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

View large format table.

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, Mass spectrum (electron ionization), Gas Chromatography, NIST Free Links, 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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