7H-Furo[3,2-g][1]benzopyran-7-one, 4-methoxy-
- Formula: C12H8O4
- Molecular weight: 216.1895
- IUPAC Standard InChI: InChI=1S/C12H8O4/c1-14-12-7-2-3-11(13)16-10(7)6-9-8(12)4-5-15-9/h2-6H,1H3
- IUPAC Standard InChIKey: BGEBZHIAGXMEMV-UHFFFAOYSA-N
- CAS Registry Number: 484-20-8
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
The 3d structure may be viewed using Java or Javascript. - Other names: Bergapten; 5-Methoxypsoralen; Bergaptan; Bergaptene; Heraclin; Majudin; 6-Hydroxy-4-methoxy-5-benzofuranacrylic acid, γ-lactone; 5-Methoxy-6,7-furanocoumarin; 4-Methoxy-7H-furo(3,2-g)(1)benzopyran-7-one; Psoraderm; 4-Methoxy-7H-furo[3,2-g]chromen-7-one; Geralen; 5-MOP; NSC 95437
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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
Kovats' RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | HP-5MS | 2061. | Asuming, Beauchamp, et al., 2005 | 30. m/0.25 mm/0.25 μm, He, 50. C @ 10. min, 3. K/min, 250. C @ 5. min |
Van Den Dool and Kratz RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | RTX-5 | 2080. | Mondello, Zappia, et al., 2000 | 10. m/0.1 mm/0.1 μm, He, 12.3 K/min; Tstart: 50. C; Tend: 350. C |
Van Den Dool and Kratz RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-1 | 2048. | Rouseff, Smoot, et al., 2002 | Program: not specified |
| Capillary | SE-52 | 2075. | Mondello, Dugo, et al., 1995 | 60. m/0.32 mm/0.40 μm, He; Program: 45 C (6 min) 3 C/min -> 111 0C 2 C/min -> 160 C 3 C/min -> 300 C (15 min) |
Normal alkane RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-5 | 2062. | Feger, Brandauer, et al., 2006 | 15. m/0.25 mm/0.5 μm, He, 50. C @ 1. min, 10. K/min, 320. C @ 5. min |
| Capillary | DB-5 | 2062. | Feger, Brandauer, et al., 2006 | 15. m/0.25 mm/0.5 μm, He, 50. C @ 1. min, 10. K/min, 320. C @ 5. min |
| Capillary | DB-5 | 2060.7 | Gawdzik, Mardarowicz, et al., 1996 | 30. m/0.25 mm/0.25 μm, 60. C @ 2. min, 4. K/min, 300. C @ 5. min |
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.
Asuming, Beauchamp, et al., 2005
Asuming, W.A.; Beauchamp, P.S.; Descalzo, J.T.; Dev, B.C.; Dev, V.; Frost, S.; Ma, C.W.,
Essential oil composition of four Lomatium Raf. species and their chemotaxonomy,
Biochem. Syst. Ecol., 2005, 33, 1, 17-26, https://doi.org/10.1016/j.bse.2004.06.005
. [all data]
Mondello, Zappia, et al., 2000
Mondello, L.; Zappia, G.; Dugo, P.; Dugo, G.; Bonaccorsi, I.; Dugo, G.,
Identification of complex samples by Fast-GC/MS using linear retention indices in conjunction with the MS-library, Proceedings, 23rd ISCC; CD-ROM, 2000, retrieved from http://www.richrom.com/assets/CD23PDF. [all data]
Rouseff, Smoot, et al., 2002
Rouseff, R.; Smoot, J.; Valim, F.; Dreher, G.; Mahattanatawee, k.; Bell, W.; Blaze, M.,
Flavor Database, 2002, retrieved from http://www.lal.ufl.edu/rouseff. [all data]
Mondello, Dugo, et al., 1995
Mondello, L.; Dugo, P.; Basile, A.; Dugo, G.,
Interactive use of linear retention indices, on polar and apolar columns, with a MS-library for reliable identification of complex mixtures,
J. Microcolumn Sep., 1995, 7, 6, 581-591, https://doi.org/10.1002/mcs.1220070605
. [all data]
Feger, Brandauer, et al., 2006
Feger, W.; Brandauer, H.; Gabris, P.; Ziegler, H.,
Nonvolatiles of Commercial Lime and Grapefruit Oils Separated by High-Speed Countercurrent Chromatography,
J. Agric. Food Chem., 2006, 54, 6, 2242-2252, https://doi.org/10.1021/jf052267t
. [all data]
Gawdzik, Mardarowicz, et al., 1996
Gawdzik, J.; Mardarowicz, M.; Suprynowicz, Z.; Kawka, S.; Wolski, T.,
Supercritical fluid extraction of essential oils from the fruits of Archangelica off. Hoffm. and their characterization by GC/MS,
J. Hi. Res. Chromatogr., 1996, 19, 4, 237-240, https://doi.org/10.1002/jhrc.1240190416
. [all data]
Notes
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