1-Caffeoyl quinic acid, TMS

• Formula: C₃₂H₆₄O₉Si₆
• Molecular weight: 761.3582
• IUPAC Standard InChI: InChI=1S/C32H64O9Si6/c1-42(2,3)36-25-20-19-24(21-26(25)37-43(4,5)6)30(33)35-32(31(34)41-47(16,17)18)22-27(38-44(7,8)9)29(40-46(13,14)15)28(23-32)39-45(10,11)12/h19-21,27-29H,22-23H2,1-18H3 Copy

  
• IUPAC Standard InChIKey: ABQAILCNIKFUPS-UHFFFAOYSA-N Copy
• Chemical structure:
  This structure is also available as a 2d Mol file
• Permanent link for this species. Use this link for bookmarking this species for future reference.
• Information on this page:
  • Gas Chromatography
  • References
  • Notes
• Options:
  • Switch to calorie-based units

Gas Chromatography

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

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

View large format table.

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.

Wagner, Sefkow, et al., 2003
Wagner, C.; Sefkow, M.; Kopka, J., Construction and application of a mass spectral and retention time index database generated from plant GC/EI-TOF-MS metabolite profiles, Phytochemistry, 2003, 62, 6, 887-900, https://doi.org/10.1016/S0031-9422(02)00703-3 . [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.