Pentanedioic acid, 2TMS derivative


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

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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

Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-5MSDB-5CP Sil 5 CBDB-5DB-1
Column length (m) 10.30.25.30.30.
Carrier gas    HeHe
Substrate      
Column diameter (mm) 0.180.250.150.250.53
Phase thickness (μm) 0.180.250.121.1.
Tstart (C) 70.100.90.100.70.
Tend (C) 320.300.270.290.290.
Heat rate (K/min) 40.10.10.4.4.
Initial hold (min) 2.1.1.4. 
Final hold (min) 2.15.7.10. 
I 1408.81407.1400.1404.1394.
ReferenceJonsson, Johansson, et al., 2005Ohie, Fu, et al., 2000Halket, Przyborowska, et al., 1999Kimura, Yamamoto, et al., 1999Hoffmann, Aramaki, et al., 1989
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryPacked
Active phase OV-1SE-52CP Sil 5 CBUltra-2OV-1
Column length (m) 10.25. 25.1.8
Carrier gas HeHeN2HeN2
Substrate     100-120 mesh
Column diameter (mm) 0.220.32 0.31 
Phase thickness (μm) 0.170.52 0.52 
Tstart (C) 70.70.60.50.70.
Tend (C) 270.270.280.300.290.
Heat rate (K/min) 5.5.6.5.28.
Initial hold (min)   0.5 0.5
Final hold (min)   5.  
I 1402.1412.1395.1410.1396.
ReferenceLefevere, Verhaeghe, et al., 1989Lefevere, Verhaeghe, et al., 1989Wurth, Kumps, et al., 1989Tuchman, Bowers, et al., 1984Tanaka, Hine, et al., 1980
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type Packed
Active phase OV-1
Column length (m) 2.
Carrier gas He
Substrate Chromosorb W HP (80-100 mesh)
Column diameter (mm)  
Phase thickness (μm)  
Tstart (C) 100.
Tend (C) 325.
Heat rate (K/min) 10.
Initial hold (min)  
Final hold (min)  
I 1400.
ReferenceButts, 1972
Comment MSDC-RI

References

Go To: Top, Van Den Dool and Kratz RI, non-polar column, temperature ramp, Notes

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

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]

Ohie, Fu, et al., 2000
Ohie, T.; Fu, X.; Iga, M.; Kimura, M.; Yamaguchi, S., Gas chromatography-mass spectrometry with tert .-butyldimethylsilyl derivatization: use of the simplified sample preparations and the automated data system to screen for organic acidemias, J. Chromatogr. B, 2000, 746, 1, 63-73, https://doi.org/10.1016/S0378-4347(00)00105-5 . [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]

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]


Notes

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