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Phenylalanine, 2TMS 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

Spectrum

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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 333658

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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

Kovats' RI, non-polar column, isothermal

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Column type Active phase Temperature (C) I Reference Comment
CapillarySP-2100135.1622.47Gajewski, Dizdaroglu, et al., 1982He; Column length: 12. m; Column diameter: 0.2 mm
CapillarySP-2100150.1624.82Gajewski, Dizdaroglu, et al., 1982He; Column length: 12. m; Column diameter: 0.2 mm
CapillarySE-54120.1635.10Gajewski, Dizdaroglu, et al., 1982He; Column length: 12. m; Column diameter: 0.2 mm

Kovats' RI, non-polar column, temperature ramp

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Column type Active phase I Reference Comment
CapillarySP-21001624.42Gajewski, Dizdaroglu, et al., 1982He, 6. K/min; Column length: 12. m; Column diameter: 0.2 mm; Tstart: 80. C; Tend: 250. C

Kovats' RI, non-polar column, custom temperature program

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Column type Active phase I Reference Comment
CapillarySE-541640.06Gajewski, Dizdaroglu, et al., 1982He; Column length: 12. m; Column diameter: 0.2 mm; Program: 70C => 4C/min => 170C=8C/min => 250C

Kovats' RI, polar column, isothermal

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Column type Active phase Temperature (C) I Reference Comment
CapillaryCarbowax 20M135.1863.65Gajewski, Dizdaroglu, et al., 1982He; Column length: 12. m; Column diameter: 0.2 mm
CapillaryCarbowax 20M160.1863.83Gajewski, Dizdaroglu, et al., 1982He; Column length: 12. m; Column diameter: 0.2 mm

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

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Column type Active phase I Reference Comment
CapillaryDB-5MS1622.3Jonsson, Johansson, et al., 200510. m/0.18 mm/0.18 «mu»m, 70. C @ 2. min, 40. K/min, 320. C @ 2. min
CapillaryDB-51649.Fu, Iga, et al., 200030. m/0.25 mm/0.25 «mu»m, He, 100. C @ 1. min, 10. K/min, 290. C @ 8. min
CapillaryDB-51640.Ohie, Fu, et al., 200030. m/0.25 mm/0.25 «mu»m, 100. C @ 1. min, 10. K/min, 300. C @ 15. min
PackedOV-11625.Butts, 1972He, Chromosorb W HP (80-100 mesh), 10. K/min; Column length: 2. m; Tstart: 100. C; Tend: 325. C
PackedOV-11625.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-5MS1621.5Tret'yakov, 200730. m/0.25 mm/0.25 «mu»m, He; Program: Multi-step temperature program; T(initial)=60C; T(final)=270C

Normal alkane RI, non-polar column, temperature ramp

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Column type Active phase I Reference Comment
CapillaryDB-5 MS1632.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-51636.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-5MS1636.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

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

View large format table.

Column type Active phase I Reference Comment
CapillaryHP-51640.Isidorov, Lech, et al., 200830. m/0.25 mm/0.25 «mu»m, 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.

Gajewski, Dizdaroglu, et al., 1982
Gajewski, E.; Dizdaroglu, M.; Simic, M.G., Kovats' Indices of Trimethylsilylated Amino Acids on Fused-Silica Capillary Columns, J. Chromatogr., 1982, 249, 1, 41-55, https://doi.org/10.1016/S0021-9673(00)80231-9 . [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]

Fu, Iga, et al., 2000
Fu, X.; Iga, M.; Kimura, M.; Yamaguchi, S., Simplified screening for organic acidemia using GC/MS and dried urine filter paper: a study on neonatal mass screening, Early Hum. Dev., 2000, 58, 1, 41-55, https://doi.org/10.1016/S0378-3782(00)00053-0 . [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]

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

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

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