Protocatechoic acid, 3TMS derivative
- Formula: C16H30O4Si3
- Molecular weight: 370.6635
- IUPAC Standard InChI: InChI=1S/C16H30O4Si3/c1-21(2,3)18-14-11-10-13(16(17)20-23(7,8)9)12-15(14)19-22(4,5)6/h10-12H,1-9H3
- IUPAC Standard InChIKey: DVAGRNBRUDZPDF-UHFFFAOYSA-N
- CAS Registry Number: 2347-40-2
- Chemical structure:
This structure is also available as a 2d Mol file - Other names: Benzoic acid, 3,4-bis[(trimethylsilyl)oxy]-, trimethylsilyl ester; Trimethylsilyl 3,4-bis(trimethylsilyloxy)benzoate; Protocatechuic acid (tms); Benzoic acid, 3,4-dihydroxy, TMS; Protocatechuic acid, di-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 | O A MAMER, MCGILL UNIVERSITY |
| NIST MS number | 79034 |
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 | DB-5 | 1836. | Jaroszynska, 2003 | 30. m/0.25 mm/0.25 μm, He, 3. K/min; Tstart: 50. C; Tend: 240. C |
| Capillary | DB-5 | 1844. | Jaroszynska, 2003 | 30. m/0.25 mm/0.25 μm, He, 3. K/min; Tstart: 50. C; Tend: 240. C |
| Capillary | DB-5 | 1835. | Jaroszynska, 2003 | 30. m/0.25 mm/0.25 μm, He, 7. K/min; Tstart: 50. C; Tend: 240. C |
| Capillary | DB-5 | 1844. | Jaroszynska, 2003 | 30. m/0.25 mm/0.25 μm, He, 7. K/min; Tstart: 50. C; Tend: 240. C |
| Packed | OV-1 | 1826. | Tanaka, Hine, et al., 1980 | N2, 100-120 mesh, 70. C @ 0.5 min, 28. K/min; Column length: 1.8 m; Tend: 290. C |
| Packed | OV-1 | 1826. | Mattsson and Petersson, 1977 | N2, Supelcoport, 4. K/min; Column length: 2. m; Tstart: 80. C; Tend: 240. C |
| Packed | OV-1 | 1828. | Butts, 1972 | He, Chromosorb W HP (80-100 mesh), 10. K/min; Column length: 2. m; Tstart: 100. C; Tend: 325. C |
Van Den Dool and Kratz RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | HP-5MS | 1813.2 | 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) |
| Packed | OV-101 | 1826. | Tanaka and Hine, 1982 | Program: not specified |
Normal alkane RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | HP-5 | 1834. | 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 | 1828. | Isidorov, Olchowik, et al., 2007 | 30. m/0.25 mm/0.25 μm, He, 5. K/min; Tstart: 50. C; Tend: 300. C |
| Capillary | HP-5 | 1832. | Isidorov, Kotowska, et al., 2005 | 30. m/0.25 mm/0.25 μm, He; Tstart: 50. C; Tend: 300. C |
| Capillary | HP-5 | 1835. | 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 | 1835. | 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.
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]
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]
Andriamaharavo, 2014
Andriamaharavo, N.R.,
Retention Data. NIST Mass Spectrometry Data Center., NIST Mass Spectrometry Data Center, 2014. [all data]
Tanaka and Hine, 1982
Tanaka, K.; Hine, D.G.,
Compilation of Gas Chromatographic Retention Indices of 163 Metabolically Important Organic Acids, and Their Use in Detection of Patients with Organic Acidurias,
J. Chromatogr., 1982, 239, 301-322, https://doi.org/10.1016/S0021-9673(00)81990-1
. [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, Olchowik, et al., 2007
Isidorov, V.A.; Olchowik, E.; Vinogorova, V.T.,
Simplified extraction procedure and gas chromatographic determination of acid compounds in plant material,
Chemia Analityczna, 2007, 52, 3, 423-433. [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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