L-Cysteine, 3TMS derivative
- Formula: C12H31NO2SSi3
- Molecular weight: 337.702
- IUPAC Standard InChI: InChI=1S/C12H31NO2SSi3/c1-17(2,3)13-11(10-16-19(7,8)9)12(14)15-18(4,5)6/h11,13H,10H2,1-9H3/t11-/m1/s1
- IUPAC Standard InChIKey: JRLJALOBTPYEJK-LLVKDONJSA-N
- CAS Registry Number: 7364-50-3
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
The 3d structure may be viewed using Java or Javascript. - Other names: L-Cysteine, N,S-bis(trimethylsilyl)-, trimethylsilyl ester; Alanine, N-(trimethylsilyl)-3-[(trimethylsilyl)thio]-, trimethylsilyl ester, L-; N,O,S-Tris-(trimethylsilyl)cysteine; Cysteine, (N,O,S-trimethylsilyl)-; Cysteine (N,O,S-TMS); Cysteine, tri-TMS; Cys, tri-TMS; Cys, TMS
- Permanent link for this species. Use this link for bookmarking this species for future reference.
- Information on this page:
- Options:
Mass spectrum (electron ionization)
Go To: Top, Gas Chromatography, 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
Spectrum
Notice: This spectrum may be better viewed with a Javascript and HTML 5 enabled browser.
Additional Data
View image of digitized spectrum (can be printed in landscape orientation).
Due to licensing restrictions, this spectrum cannot be downloaded.
| 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 | O A MAMER, MCGILL UNIVERSITY, MO+ |
| NIST MS number | 79166 |
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
| Column type | Active phase | Temperature (C) | I | Reference | Comment |
|---|---|---|---|---|---|
| Capillary | SP-2100 | 135. | 1563.23 | Gajewski, Dizdaroglu, et al., 1982 | He; Column length: 12. m; Column diameter: 0.2 mm |
| Capillary | SP-2100 | 150. | 1562.44 | Gajewski, Dizdaroglu, et al., 1982 | He; Column length: 12. m; Column diameter: 0.2 mm |
| Capillary | SE-54 | 120. | 1574.31 | Gajewski, Dizdaroglu, et al., 1982 | He; Column length: 12. m; Column diameter: 0.2 mm |
Kovats' RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | SP-2100 | 1571.22 | Gajewski, Dizdaroglu, et al., 1982 | He, 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
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | SE-54 | 1580.37 | Gajewski, Dizdaroglu, et al., 1982 | He; Column length: 12. m; Column diameter: 0.2 mm; Program: 70C => 4C/min => 170C=8C/min => 250C |
Kovats' RI, polar column, isothermal
| Column type | Active phase | Temperature (C) | I | Reference | Comment |
|---|---|---|---|---|---|
| Capillary | Carbowax 20M | 135. | 1703.19 | Gajewski, Dizdaroglu, et al., 1982 | He; Column length: 12. m; Column diameter: 0.2 mm |
Van Den Dool and Kratz RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-5MS | 1553.4 | Jonsson, Johansson, et al., 2005 | 10. m/0.18 mm/0.18 μm, 70. C @ 2. min, 40. K/min, 320. C @ 2. min |
| Capillary | DB-5 | 1568. | Fu, Iga, et al., 2000 | 30. m/0.25 mm/0.25 μm, He, 100. C @ 1. min, 10. K/min, 290. C @ 8. min |
| Packed | OV-1 | 1565. | Butts, 1972 | He, Chromosorb W HP (80-100 mesh), 10. K/min; Column length: 2. m; Tstart: 100. C; Tend: 325. C |
Normal alkane RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | HP-5MS | 1568. | Lee, Yanamandra, et al., 2002 | 30. m/0.25 mm/0.25 μm, He, 70. C @ 3. min, 4. K/min, 280. C @ 3. min |
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]
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]
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
Go To: Top, Mass spectrum (electron ionization), Gas Chromatography, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
- The National Institute of Standards and Technology (NIST) uses its best efforts to deliver a high quality copy of the Database and to verify that the data contained therein have been selected on the basis of sound scientific judgment. However, NIST makes no warranties to that effect, and NIST shall not be liable for any damage that may result from errors or omissions in the Database.
- Customer support for NIST Standard Reference Data products.