Salicylic acid, 2TMS derivative
- Formula: C13H22O3Si2
- Molecular weight: 282.4830
- IUPAC Standard InChI: InChI=1S/C13H22O3Si2/c1-17(2,3)15-12-10-8-7-9-11(12)13(14)16-18(4,5)6/h7-10H,1-6H3
- IUPAC Standard InChIKey: BNAGIDDOEKUJRZ-UHFFFAOYSA-N
- CAS Registry Number: 3789-85-3
- 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: Benzoic acid, 2-[(trimethylsilyl)oxy]-, trimethylsilyl ester; Benzoic acid, o-(trimethylsiloxy)-, trimethylsilyl ester; Bis(trimethylsilyl) derivative of Salicylic acid; 2-Hydroxybenzoic acid, di(trimethylsilyl) deriv.; Benzoic acid, 2-hydroxy, di-TMS; Salicylic acid (2TMS); Salicylic acid, bis-TMS; Salicylic acid, di-TMS; Salicylic acid, trimethylsilyl ether, trimethylsilyl ester; Trimethylsilyl 2-[(trimethylsilyl)oxy]benzoate; Salicylic acid, TMS; 2-Hydroxybenzoic acid, TMS; Benzoic acid, 2-hydroxy, TMS
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Van Den Dool and Kratz RI, non-polar column, temperature ramp
Go To: Top, 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
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | VF-5MS | DB-5 | DB-5 | DB-5 | DB-5 |
| Column length (m) | 30. | 30. | 30. | 30. | 30. |
| Carrier gas | He | He | He | He | He |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
| Tstart (C) | 60. | 50. | 50. | 50. | 50. |
| Tend (C) | 270. | 320. | 320. | 320. | 320. |
| Heat rate (K/min) | 3. | 3. | 3. | 3. | |
| Initial hold (min) | |||||
| Final hold (min) | |||||
| I | 1525. | 1524. | 1524. | 1525. | 1525. |
| Reference | Todua, 2011 | Jaroszynska and Ligor, 2005 | Jaroszynska and Ligor, 2005 | Jaroszynska and Ligor, 2005 | Jaroszynska and Ligor, 2005 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | PE-5ht | PE-5ht | PE-5ht | PE-5ht | PE-5ms |
| Column length (m) | 30. | 30. | 30. | 30. | 30. |
| Carrier gas | He | He | He | He | He |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
| Phase thickness (μm) | 0.1 | 0.1 | 0.1 | 0.1 | 0.25 |
| Tstart (C) | 50. | 50. | 50. | 50. | 50. |
| Tend (C) | 320. | 320. | 320. | 320. | 320. |
| Heat rate (K/min) | 3. | 3. | 3. | 3. | 3. |
| Initial hold (min) | |||||
| Final hold (min) | |||||
| I | 1519. | 1519. | 1520. | 1521. | 1507. |
| Reference | Jaroszynska and Ligor, 2005 | Jaroszynska and Ligor, 2005 | Jaroszynska and Ligor, 2005 | Jaroszynska and Ligor, 2005 | Jaroszynska and Ligor, 2005 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | PE-5ms | DB-5MS | DB-5 | DB-5 | DB-5 |
| Column length (m) | 30. | 10. | 30. | 30. | 30. |
| Carrier gas | He | He | He | He | |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.18 | 0.25 | 0.25 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.18 | 0.25 | 0.25 | 0.25 |
| Tstart (C) | 50. | 70. | 50. | 50. | 50. |
| Tend (C) | 320. | 320. | 240. | 240. | 240. |
| Heat rate (K/min) | 3. | 40. | 3. | 3. | 7. |
| Initial hold (min) | 2. | ||||
| Final hold (min) | 2. | ||||
| I | 1507. | 1508.3 | 1519. | 1525. | 1522. |
| Reference | Jaroszynska and Ligor, 2005 | Jonsson, Johansson, et al., 2005 | Jaroszynska, 2003 | Jaroszynska, 2003 | Jaroszynska, 2003 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Packed |
|---|---|---|---|---|---|
| Active phase | DB-5 | SE-52 | CP Sil 5 CB | SE-52 | OV-1 |
| Column length (m) | 30. | 25. | 25. | 1.8 | |
| Carrier gas | He | He | N2 | He | N2 |
| Substrate | 100-120 mesh | ||||
| Column diameter (mm) | 0.25 | 0.32 | 0.20 | ||
| Phase thickness (μm) | 0.25 | 0.52 | 0.40 | ||
| Tstart (C) | 50. | 70. | 60. | 50. | 70. |
| Tend (C) | 240. | 270. | 280. | 270. | 290. |
| Heat rate (K/min) | 7. | 5. | 6. | 5. | 28. |
| Initial hold (min) | 0.5 | 0.5 | |||
| Final hold (min) | 5. | ||||
| I | 1528. | 1524. | 1505. | 1522. | 1505. |
| Reference | Jaroszynska, 2003 | Lefevere, Verhaeghe, et al., 1989 | Wurth, Kumps, et al., 1989 | Lefevere, Verhaeghe, et al., 1988 | Tanaka, Hine, et al., 1980 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Packed | Packed |
|---|---|---|
| Active phase | OV-1 | OV-1 |
| Column length (m) | 2. | 2. |
| Carrier gas | N2 | He |
| Substrate | Supelcoport | Chromosorb W HP (80-100 mesh) |
| Column diameter (mm) | ||
| Phase thickness (μm) | ||
| Tstart (C) | 80. | 100. |
| Tend (C) | 240. | 325. |
| Heat rate (K/min) | 4. | 10. |
| Initial hold (min) | ||
| Final hold (min) | ||
| I | 1502. | 1510. |
| Reference | Mattsson and Petersson, 1977 | Butts, 1972 |
| Comment | MSDC-RI | MSDC-RI |
References
Go To: Top, Van Den Dool and Kratz RI, non-polar column, temperature ramp, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Todua, 2011
Todua, N.G.,
Retention Data. NIST Mass Spectrometry Data Center., NIST Mass Spectrometry Data Center, 2011. [all data]
Jaroszynska and Ligor, 2005
Jaroszynska, J.; Ligor, T.,
The identification of phenolic compounds by a gas chromatographic method on three capillary columns with the same non-polar stationary phase,
Anal. Chim. Acta., 2005, 539, 1-2, 11-15, https://doi.org/10.1016/j.aca.2005.03.024
. [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]
Jaroszynska, 2003
Jaroszynska, J.,
Isolation of free phenolic compounds from arboreal leaves by use of the Florisil/C18 system,
Anal. Bioanal. Chem., 2003, 377, 4, 702-708, https://doi.org/10.1007/s00216-003-2155-z
. [all data]
Lefevere, Verhaeghe, et al., 1989
Lefevere, M.F.; Verhaeghe, B.J.; Declerck, D.H.; Van Bocxlaer, J.F.; De Leenheer, A.P.; De Sagher, R.M.,
Metabolic Profiling of Urinary Organic Acids by Single and Multicolumn Capillary Gas Chromatography,
J. Chromatogr. Sci., 1989, 27, 1, 23-29, https://doi.org/10.1093/chromsci/27.1.23
. [all data]
Wurth, Kumps, et al., 1989
Wurth, C.; Kumps, A.; Mardens, Y.,
Urinary organic acids: Retention indices on two capillary gas chromatography columns,
J. Chromatogr., 1989, 491, 186-192, https://doi.org/10.1016/S0378-4347(00)82831-5
. [all data]
Lefevere, Verhaeghe, et al., 1988
Lefevere, M.F.; Verhaeghe, B.J.; Declerck, D.M.; de Leenheer, A.P.,
Automated profiling of urinary organic acids by dual-column gas chromatography and gas chromatography/mass spectrometry,
Biomed. Environ. Mass Spectrom., 1988, 15, 6, 311-322, https://doi.org/10.1002/bms.1200150603
. [all data]
Tanaka, Hine, et al., 1980
Tanaka, K.; Hine, D.G.; West-Dull, A.; Lynn, T.B.,
Gas-chromatographic method of analysis for urinary organic acids. I. Retention indices of 155 metabolically important compounds,
Clin. Chem., 1980, 26, 13, 1839-1846. [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]
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]
Notes
Go To: Top, Van Den Dool and Kratz RI, non-polar column, temperature ramp, References
- Symbols used in this document:
Tend Final temperature Tstart Initial temperature - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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