D-Mannitol, 6TMS derivative
- Formula: C24H62O6Si6
- Molecular weight: 615.2585
- IUPAC Standard InChI: InChI=1S/C24H62O6Si6/c1-31(2,3)25-19-21(27-33(7,8)9)23(29-35(13,14)15)24(30-36(16,17)18)22(28-34(10,11)12)20-26-32(4,5)6/h21-24H,19-20H2,1-18H3/t21-,22-,23-,24-/m1/s1
- IUPAC Standard InChIKey: USBJDBWAPKNPCK-MOUTVQLLSA-N
- CAS Registry Number: 14317-07-8
- Chemical structure:
This structure is also available as a 2d Mol file - Stereoisomers:
- Other names: D-Mannitol, 1,2,3,4,5,6-hexakis-O-(trimethylsilyl)-; Mannitol, hexakis-O-(trimethylsilyl)-, D-; 1,2,3,4,5,6-Hexakis-O-(trimethylsilyl)mannitol-, (D)-; D-Mannitol, hexakis-TMS; Mannitol, (6TMS)-; D-Mannitol, hexakis(trimethylsilyl) ether; Mannitol, TMS; Mannitol, hexakis-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 | 380338 |
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 |
|---|---|---|---|---|---|
| Packed | SE-30 | 210. | 1979. | Saura-Calixto, Cañellas, et al., 1984 | N2, Supelcoport (80-100mesh); Column length: 3. m |
| Capillary | OV-101 | 200. | 1993.6 | Adam, 1981 | Column length: 50. m |
Van Den Dool and Kratz RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | VF-5MS | 1912.3 | Tretyakov, 2011 | 30. m/0.25 mm/0.25 μm, He; Tstart: 60. C; Tend: 270. C |
| Capillary | DB-5MS | 1925.8 | 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 | RTX-5Sil | 1927.7 | Wagner, Sefkow, et al., 2003 | 80. C @ 2. min, 18. K/min, 350. C @ 2. min; Column length: 30. m; Column diameter: 0.25 mm |
| Capillary | DB-5 | 1958. | 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 |
Van Den Dool and Kratz RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | Polydimethyl siloxane with 5 % phenyl groups | 1919. | Kempa, Hummel, et al., 2009 | Program: not specified |
| Capillary | HP-5 | 1975. | 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 | HP-5 | 1973. | Isidorov, Lech, et al., 2008 | 30. m/0.25 mm/0.25 μm, Helium, 3. K/min, 300. C @ 30. min; Tstart: 50. C |
| Capillary | HP-5 | 1969. | Isidorov, Kotowska, et al., 2005 | 30. m/0.25 mm/0.25 μm, He, 5. K/min; Tstart: 50. C; Tend: 300. C |
Normal alkane RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | HP-5 | 1975. | Isidorov, Lech, et al., 2008 | 30. m/0.25 mm/0.25 μm, 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.
Saura-Calixto, Cañellas, et al., 1984
Saura-Calixto, F.; Cañellas, J.; García-Raso, A.,
Gas chromatograph analysis of surgars and sugar-alcohols in the mesocarp, endocarp, and kernel of almond fruit,
J. Agric. Food Chem., 1984, 32, 5, 1018-1020, https://doi.org/10.1021/jf00125a017
. [all data]
Adam, 1981
Adam, S.,
Separation of mono- and di-saccharide derivatives by high-resolution gas chromatography,
Z. Lebensm. Unters. Forsch., 1981, 173, 2, 109-112, https://doi.org/10.1007/BF01042273
. [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]
Wagner, Sefkow, et al., 2003
Wagner, C.; Sefkow, M.; Kopka, J.,
Construction and application of a mass spectral and retention time index database generated from plant GC/EI-TOF-MS metabolite profiles,
Phytochemistry, 2003, 62, 6, 887-900, https://doi.org/10.1016/S0031-9422(02)00703-3
. [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]
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]
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]
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, 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]
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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