Theobromine, n-propyl derivative
- Formula: C10H14N4O2
- Molecular weight: 222.2438
- IUPAC Standard InChI: InChI=1S/C10H14N4O2/c1-4-5-14-9(15)7-8(11-6-12(7)2)13(3)10(14)16/h6H,4-5H2,1-3H3
- IUPAC Standard InChIKey: XJKSERUTELYNMR-UHFFFAOYSA-N
- Chemical 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
Van Den Dool and Kratz RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | BPX-5 | 1996. | Regal, Howald, et al., 1998 | 30. m/0.32 mm/0.26 μm, He; Program: 150C (1min) => 20C/min => 210C (1min) => 5C/min => 250C (5min) |
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.
Regal, Howald, et al., 1998
Regal, K.A.; Howald, W.N.; Peter, R.M.; Gartner, C.A.; Kunze, K.L.; Nelson, S.D.,
Subnanomolar quantification of caffeine's in vitro metabolites by stable isotope dilution gas chromatography-mass spectrometry,
J. Chromatogr. B, 1998, 708, 1-2, 75-85, https://doi.org/10.1016/S0378-4347(97)00656-7
. [all data]
Notes
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- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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