trans-4-O-Caffeoyl-D-quinic acid, hexakis-TMS
- Formula: C34H66O9Si6
- Molecular weight: 787.3954
- IUPAC Standard InChI: InChI=1S/C34H66O9Si6/c1-44(2,3)38-27-21-19-26(23-28(27)39-45(4,5)6)20-22-31(35)37-32-29(40-46(7,8)9)24-34(43-49(16,17)18,33(36)42-48(13,14)15)25-30(32)41-47(10,11)12/h19-23,29-30,32H,24-25H2,1-18H3/b22-20+/t29-,30-,32-,34+/m1/s1
- IUPAC Standard InChIKey: TVNYJEUSYBSSPM-UYAFOJLTSA-N
- Chemical structure:
This structure is also available as a 2d Mol file - Species with the same structure:
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Gas Chromatography
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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
Normal alkane RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-1 | 3240. | Fuchs and Spiteller, 1996 | 30. m/0.32 mm/0.10 μm, Hydrogen, 3. K/min; Tstart: 80. C; Tend: 280. C |
References
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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Fuchs and Spiteller, 1996
Fuchs, C.; Spiteller, G.,
Rapid and easy identification of isomers of cpumaroyl- and caffeoyl-D-quinic acid by gas chromatography/mass spectrometry,
J. Mass Spectrom., 1996, 31, 6, 602-608, https://doi.org/10.1002/(SICI)1096-9888(199606)31:6<602::AID-JMS338>3.0.CO;2-9
. [all data]
Notes
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- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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