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
Permanent link for this species. Use this link for bookmarking this species for future reference.
Information on this page:
Other data available:
- Mass spectrum (electron ionization)
Options:
- Switch to SI units

Gas Chromatography

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; T_start: 50. C; T_end: 240. C
Capillary	DB-5	1844.	Jaroszynska, 2003	30. m/0.25 mm/0.25 μm, He, 3. K/min; T_start: 50. C; T_end: 240. C
Capillary	DB-5	1835.	Jaroszynska, 2003	30. m/0.25 mm/0.25 μm, He, 7. K/min; T_start: 50. C; T_end: 240. C
Capillary	DB-5	1844.	Jaroszynska, 2003	30. m/0.25 mm/0.25 μm, He, 7. K/min; T_start: 50. C; T_end: 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; T_end: 290. C
Packed	OV-1	1826.	Mattsson and Petersson, 1977	N2, Supelcoport, 4. K/min; Column length: 2. m; T_start: 80. C; T_end: 240. C
Packed	OV-1	1828.	Butts, 1972	He, Chromosorb W HP (80-100 mesh), 10. K/min; Column length: 2. m; T_start: 100. C; T_end: 325. C

Van Den Dool and Kratz RI, non-polar column, custom temperature program

View large format table.

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

View large format table.

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; T_start: 50. C
Capillary	HP-5	1828.	Isidorov, Olchowik, et al., 2007	30. m/0.25 mm/0.25 μm, He, 5. K/min; T_start: 50. C; T_end: 300. C
Capillary	HP-5	1832.	Isidorov, Kotowska, et al., 2005	30. m/0.25 mm/0.25 μm, He; T_start: 50. C; T_end: 300. C
Capillary	HP-5	1835.	Isidorov, Kotowska, et al., 2005	30. m/0.25 mm/0.25 μm, He, 5. K/min; T_start: 50. C; T_end: 300. C

Normal alkane RI, non-polar column, custom temperature program

View large format table.

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, Gas Chromatography, Notes

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, Gas Chromatography, References

Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
The National Institute of Standards and Technology (NIST) uses its best efforts to deliver a high quality copy of the Database and to verify that the data contained therein have been selected on the basis of sound scientific judgment. However, NIST makes no warranties to that effect, and NIST shall not be liable for any damage that may result from errors or omissions in the Database.
Customer support for NIST Standard Reference Data products.