p-Anisic acid, TMS derivative
- Formula: C11H16O3Si
- Molecular weight: 224.3284
- IUPAC Standard InChI: InChI=1S/C11H16O3Si/c1-13-10-7-5-9(6-8-10)11(12)14-15(2,3)4/h5-8H,1-4H3
- IUPAC Standard InChIKey: AYGQUFGXOJWAHD-UHFFFAOYSA-N
- CAS Registry Number: 2078-14-0
- 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, 4-methoxy-, trimethylsilyl ester; Trimethylsilyl 4-methoxybenzoate; p-Anisic acid, 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 | 374505 |
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
Van Den Dool and Kratz RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | VF-5MS | 1531. | Todua, 2011 | 30. m/0.25 mm/0.25 μm, He; Tstart: 60. C; Tend: 270. C |
| Capillary | DB-5 | 1528. | Jaroszynska and Ligor, 2005 | 30. m/0.25 mm/0.25 μm, He, 3. K/min; Tstart: 50. C; Tend: 320. C |
| Capillary | DB-5 | 1529. | Jaroszynska and Ligor, 2005 | 30. m/0.25 mm/0.25 μm, He, 3. K/min; Tstart: 50. C; Tend: 320. C |
| Capillary | DB-5 | 1530. | Jaroszynska and Ligor, 2005 | 30. m/0.25 mm/0.25 μm, He, 3. K/min; Tstart: 50. C; Tend: 320. C |
| Capillary | DB-5 | 1530. | Jaroszynska and Ligor, 2005 | 30. m/0.25 mm/0.25 μm, He, 3. K/min; Tstart: 50. C; Tend: 320. C |
| Capillary | PE-5ht | 1522. | Jaroszynska and Ligor, 2005 | 30. m/0.25 mm/0.1 μm, He, 3. K/min; Tstart: 50. C; Tend: 320. C |
| Capillary | PE-5ht | 1522. | Jaroszynska and Ligor, 2005 | 30. m/0.25 mm/0.1 μm, He, 3. K/min; Tstart: 50. C; Tend: 320. C |
| Capillary | PE-5ht | 1522. | Jaroszynska and Ligor, 2005 | 30. m/0.25 mm/0.1 μm, He, 3. K/min; Tstart: 50. C; Tend: 320. C |
| Capillary | PE-5ht | 1523. | Jaroszynska and Ligor, 2005 | 30. m/0.25 mm/0.1 μm, He, 3. K/min; Tstart: 50. C; Tend: 320. C |
| Capillary | PE-5ms | 1519. | Jaroszynska and Ligor, 2005 | 30. m/0.25 mm/0.25 μm, He, 3. K/min; Tstart: 50. C; Tend: 320. C |
| Capillary | PE-5ms | 1520. | Jaroszynska and Ligor, 2005 | 30. m/0.25 mm/0.25 μm, He, 3. K/min; Tstart: 50. C; Tend: 320. C |
| Capillary | DB-5 | 1524. | Jaroszynska, 2003 | 30. m/0.25 mm/0.25 μm, He, 3. K/min; Tstart: 50. C; Tend: 240. C |
| Capillary | DB-5 | 1530. | Jaroszynska, 2003 | 30. m/0.25 mm/0.25 μm, He, 3. K/min; Tstart: 50. C; Tend: 240. C |
| Capillary | DB-5 | 1527. | Jaroszynska, 2003 | 30. m/0.25 mm/0.25 μm, He, 7. K/min; Tstart: 50. C; Tend: 240. C |
| Capillary | DB-5 | 1534. | Jaroszynska, 2003 | 30. m/0.25 mm/0.25 μm, He, 7. K/min; Tstart: 50. C; Tend: 240. C |
| Packed | OV-1 | 1504. | 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-5 | 1526. | 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 | OV-1, SE-30, Methyl silicone, SP-2100, OV-101, DB-1, etc. | 1495. | Waggott and Davies, 1984 | Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; 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.
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]
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]
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]
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]
Waggott and Davies, 1984
Waggott, A.; Davies, I.W.,
Identification of organic pollutants using linear temperature programmed retention indices (LTPRIs) - Part II, 1984, retrieved from http://dwi.defra.gov.uk/research/completed-research/reports/dwi0383.pdf. [all data]
Notes
Go To: Top, Mass spectrum (electron ionization), Gas Chromatography, References
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