Myo-Inositol, 6TMS derivative
- Formula: C24H60O6Si6
- Molecular weight: 613.2426
- IUPAC Standard InChI: InChI=1S/C24H60O6Si6/c1-31(2,3)25-19-20(26-32(4,5)6)22(28-34(10,11)12)24(30-36(16,17)18)23(29-35(13,14)15)21(19)27-33(7,8)9/h19-24H,1-18H3
- IUPAC Standard InChIKey: FRTKXRNTVMCAKI-UHFFFAOYSA-N
- CAS Registry Number: 2582-79-8
- Chemical structure:
This structure is also available as a 2d Mol file - Species with the same structure:
- Stereoisomers:
- Other names: myo-Inositol, 1,2,3,4,5,6-hexakis-O-(trimethylsilyl)-; Inositol, 1,2,3,4,5,6-hexakis-O-(trimethylsilyl)-, myo-; myo-Inositol (6TMS); mio-Inositol, hexakis-TMS; Myoinositol TMS; myo-Inositol, hexakis(trimethylsilyl) ether; Trimethyl((2,3,4,5,6-pentakis[(trimethylsilyl)oxy]cyclohexyl)oxy)silane; INOSITOL 6TMS; Inositol (myo-Inositol), TMS
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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
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Additional Data
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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, 2010 |
| NIST MS number | 380339 |
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, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-5MS | 2130. | Medeiros and Simoneit, 2007 | 30. m/0.25 mm/0.25 μm, He, 65. C @ 2. min, 6. K/min, 300. C @ 15. min |
Van Den Dool and Kratz RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | VF-5MS | 2073.7 | Tretyakov, 2011 | 30. m/0.25 mm/0.25 μm, He; Tstart: 60. C; Tend: 270. C |
| Capillary | DB-5MS | 2083.7 | 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 | 2096. | 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 |
| Capillary | DB-5 | 2136. | 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 | 2153. | Mattsson and Petersson, 1977 | N2, Supelcoport, 4. K/min; Column length: 2. m; Tstart: 80. C; Tend: 240. C |
Van Den Dool and Kratz RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | HP-5 | 2129. | Madaj, Wisniewski, et al., 1993 | H2; Column length: 50. m; Column diameter: 0.20 mm; Program: 115 0C 3 0C/min -> 180 0C 4 0C/min -> 250 0C |
Normal alkane RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-1 | 2152. | Frank, Meuleye, et al., 2007 | 60. m/0.32 mm/0.25 μm, Hydrogen, 4. K/min, 320. C @ 25. min; Tstart: 100. C |
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.
Medeiros and Simoneit, 2007
Medeiros, P.M.; Simoneit, B.R.T.,
Analysis of sugars in environmental samples by gas chromatography-mass spectrometry,
J. Chromatogr. A, 2007, 1141, 2, 271-278, https://doi.org/10.1016/j.chroma.2006.12.017
. [all data]
Tretyakov, 2011
Tretyakov, K.V.,
Retention Data (March 2011). NIST Mass Spectrometry Data Center., NIST Mass Spectrometry Data Center, 2011. [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]
Mattsson and Petersson, 1977
Mattsson, M.; Petersson, G.,
Reference GLC Data for the Analysis of Phenolic Compounds as Trimethylsilyl Derivatives,
J. Chromatogr. Sci., 1977, 15, 12, 546-554, https://doi.org/10.1093/chromsci/15.12.546
. [all data]
Madaj, Wisniewski, et al., 1993
Madaj, J.; Wisniewski, A.; Skorupowa, E.; Sokolowski, J.,
Capillary gas chromatographic separations of a multicomponent mixture of polyalcohol compounds,
J. Chromatogr. A, 1993, 655, 2, 267-273, https://doi.org/10.1016/0021-9673(93)83232-H
. [all data]
Frank, Meuleye, et al., 2007
Frank, T.; Meuleye, B.S.; Miller, A.; Shu, A.-Y.; Engel, K.-H.,
Metabolite profiling of two low phytic acid (Ipa) rice nutants,
J. Agric. Food Chem., 2007, 55, 26, 11011-11019, https://doi.org/10.1021/jf0723559
. [all data]
Notes
Go To: Top, Mass spectrum (electron ionization), Gas Chromatography, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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