Heptadecanoic acid, TMS derivative
- Formula: C20H42O2Si
- Molecular weight: 342.6318
- IUPAC Standard InChI: InChI=1S/C20H42O2Si/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22-23(2,3)4/h5-19H2,1-4H3
- IUPAC Standard InChIKey: KCEZRIREPDDPDI-UHFFFAOYSA-N
- CAS Registry Number: 55517-58-3
- Chemical structure:
This structure is also available as a 2d Mol file - Other names: Heptadecanoic acid, trimethylsilyl ester; Heptadecanoic acid, TMS; Heptadecanoic acid, TMS ester; Margarate, TMS; Margaric acid, trimethylsilyl ester; Margaric acid, TMS; Trimethylsilyl heptadecanoate
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Gas Chromatography
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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
Van Den Dool and Kratz RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-5 | 2148. | Ohie, Fu, et al., 2000 | 30. m/0.25 mm/0.25 μm, 100. C @ 1. min, 10. K/min, 300. C @ 15. min |
| Capillary | HP-5 | 2103. | Antoshechkin, Golovkin, et al., 1989 | 25. m/0.31 mm/0.52 μm, He, 100. C @ 5. min, 5. K/min, 290. C @ 15. min |
| Capillary | OV-1 | 2140. | Harvey, 1989 | 50. m/0.30 mm/0.52 μm, He, 2. K/min; Tstart: 130. C; Tend: 280. C |
Van Den Dool and Kratz RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | HP-5MS | 2137.4 | Andriamaharavo, 2014 | 30. m/0.25 mm/0.25 μm, He; Program: 60C (1 min) => 5 C/min => 210C => 10 C/min => 280C (15 min) |
Normal alkane RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | RTX-5 Sil MS | 2144. | Lytovchenko, Beleggia, et al., 2009 | 30. m/0.25 mm/0.25 μm, Helium, 70. C @ 5. min, 5. K/min, 310. C @ 1. min |
| Capillary | HP-5 | 2149. | 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 | 2153. | 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 | 2152. | Isidorov, Lech, et al., 2008 | 30. m/0.25 mm/0.25 μm, Helium; Program: not specified |
References
Go To: Top, Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
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]
Antoshechkin, Golovkin, et al., 1989
Antoshechkin, A.G.; Golovkin, A.B.; Maximova, L.A.; Bakharev, V.A.,
Screening of amniotic fluid metabolites by gas chromatography-mass spectrometry,
J. Chromatogr., 1989, 489, 2, 353-358, https://doi.org/10.1016/S0378-4347(00)82913-8
. [all data]
Harvey, 1989
Harvey, D.J.,
Identification of long-chain fatty acids and alcohols from human cerumen by the use of picolinyl and nicotinate esters,
Biomed. Environ. Mass Spectrom., 1989, 18, 9, 719-723, https://doi.org/10.1002/bms.1200180912
. [all data]
Andriamaharavo, 2014
Andriamaharavo, N.R.,
Retention Data. NIST Mass Spectrometry Data Center., NIST Mass Spectrometry Data Center, 2014. [all data]
Lytovchenko, Beleggia, et al., 2009
Lytovchenko, A.; Beleggia, R.; Schauer, N.; Isaacson, T.; Leuendorf, J.E.; Hellmann, H.; Rose, J.K.C.; Fernie, A.R.,
Application of GC-MS fpr the detection of lipophilic compounds in diverse plant tissues,
Plant Methods, 2009, 5, 4, 1-11. [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, Gas Chromatography, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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