5-Hydroxymethylfurfural
- Formula: C6H6O3
- Molecular weight: 126.1100
- IUPAC Standard InChIKey: NOEGNKMFWQHSLB-UHFFFAOYSA-N
- CAS Registry Number: 67-47-0
- Chemical structure:
This structure is also available as a 2d Mol file - Other names: 2-Furancarboxaldehyde, 5-(hydroxymethyl)-; 2-Furaldehyde, 5-(hydroxymethyl)-; HMF; 5-(Hyddroxymethyl)furfurole; 5-(Hydroxymethyl)-2-formylfuran; 5-(Hydroxymethyl)-2-furaldehyde; 5-(Hydroxymethyl)-2-furancarbonal; 5-(Hydroxymethyl)-2-furfural; 5-(Hydroxymethyl)-2-furfuraldehyde; 5-(Hydroxymethyl)furan-2-aldehyde; 5-Hydroxymethylfuraldehyde; 5-Oxymethylfurfurole; 5-Hydroxymethylfurfuraldehyde; 5-Hydroxymethyl-2-furancarbaldehyde; Hydroxymethylfurfuraldehyde; 5-(Hydroxymethyl)-2-furancarboxaldehyde; 2-Hydroxymethyl-5-furfural; NSC 40738; Hydroxymethylfurfural; Hydroxymethylfurfuralaldehyde; 5-(Hydroxymethyl)furan-2-carbaldehyde; 5-Hydroxymethyl-2-furfural (HMF)
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Normal alkane RI, non-polar column, custom temperature program
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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
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | SLB-5 MS | SLB-5 MS | DB-5 | HP-5 MS | ZB-5 |
Column length (m) | 30. | 30. | 30. | 60. | 30. |
Carrier gas | Helium | Helium | Helium | Helium | Helium |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.32 | 0.25 | 0.25 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | |
Program | not specified | not specified | not specified | 60 0C ( 1 min) 5 0C/min -> 200 0C (1 min) 20 0C/min -> 280 0C (21 min) | 45 0C 3 0C/min -> 230 0C (10 min) 10 0C/min -> 270 0C (21 min) |
I | 1225. | 1231. | 1224. | 1252. | 1235. |
Reference | Mondello, 2012 | Mondello, 2012 | Yusuf and Bewaji, 2011 | Jalali-Heravi, Parastar, et al., 2009 | de Simon, Estruelas, et al., 2009 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|
Active phase | DB-5 MS | HP-5MS | HP-1 | OV-1, SE-30, Methyl silicone, SP-2100, OV-101, DB-1, etc. |
Column length (m) | 30. | 30. | 25. | 50. |
Carrier gas | Helium | He | Hydrogen | |
Substrate | ||||
Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.32 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | |
Program | 45 0C (0.75 min) 10 0C/min -> 200 0C 30 0C/min -> 245 0C (1.25 min) | 40C(3min) => 2C/min => 180C => 10C/min => 250C(5min) | 30 0C (4 min) 6 K/min -> 200 0C 15 K/min -> 250 0C (20 min) | not specified |
I | 1266. | 1252. | 1188. | 1270. |
Reference | Cajka, Hajslova, et al., 2007 | Alissandrakis, Kibaris, et al., 2005 | Rowland, Blackman, et al., 1995 | Waggott and Davies, 1984 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
References
Go To: Top, Normal alkane RI, non-polar column, custom temperature program, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Mondello, 2012
Mondello, L.,
HS-SPME-GCxGC-MS analysis of Yerba Mate (Ilex paraguariensis)
in Shimadzu GC-GC application compendium of comprehensive 2D GC, Vol. 1-5, Shimadzu Corp., 2012, 1-29. [all data]
Yusuf and Bewaji, 2011
Yusuf, O.K.; Bewaji, C.O.,
GC-MS of volatile components of fermented wheat germ extract,
J. Cereals Oilseeds, 2011, 2, 3, 38-42. [all data]
Jalali-Heravi, Parastar, et al., 2009
Jalali-Heravi, M.; Parastar, H.; Ebrahimi-Najafabadi, H.,
Chracterization of volatile components of Iranian saffron using factorial-based response surface modeling of ultrasonic extraction combined with gas chromatography - mass spectrometry analysis,
J. Chromatogr. A, 2009, 1216, 33, 6088-6097, https://doi.org/10.1016/j.chroma.2009.06.067
. [all data]
de Simon, Estruelas, et al., 2009
de Simon, B.F.; Estruelas, E.; Munoz, A.M.; Cadahia, E.; Sanz, M.,
Volatile compounds in acacia, chestnut, cherry, ash, and oak woods, with a view to their use in cooperage,
J. Agric. Food Chem., 2009, 57, 8, 3217-3227, https://doi.org/10.1021/jf803463h
. [all data]
Cajka, Hajslova, et al., 2007
Cajka, T.; Hajslova, J.; Cochran, J.; Holadova, K.; Klimankova, E.,
Solid phase microextraction - comprehensive two dimensional gas chromatography - time-of-flight mass spectrometry for the analysis of honey volatiles,
J. Sep. Sci., 2007, 30, 4, 534-546, https://doi.org/10.1002/jssc.200600413
. [all data]
Alissandrakis, Kibaris, et al., 2005
Alissandrakis, E.; Kibaris, A.C.; Tarantilis, P.A.; Harizanis, P.C.; Polissiou, M.,
Flavour compounds of Greek cotton honey,
J. Sci. Food Agric., 2005, 85, 9, 1444-1452, https://doi.org/10.1002/jsfa.2124
. [all data]
Rowland, Blackman, et al., 1995
Rowland, C.Y.; Blackman, A.J.; D'Arcy, B.R.; Rintoul, G.B.,
Comparison of organic extractives found in leatherwood (Eucryphia lucida) honey and leatherwood flowers and leaves,
J. Agric. Food Chem., 1995, 43, 3, 753-763, https://doi.org/10.1021/jf00051a036
. [all data]
Waggott and Davies, 1984
Waggott, A.; Davies, I.W.,
Identification of organic pollutants using linear temperature programmed retention indices (LTPRIs) - Part II, 1984, retrieved from http://dwi.defra.gov.uk/research/completed-research/reports/dwi0383.pdf. [all data]
Notes
Go To: Top, Normal alkane RI, non-polar column, custom temperature program, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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