4-Heptenal
- Formula: C7H12O
- Molecular weight: 112.1696
- IUPAC Standard InChIKey: VVGOCOMZRGWHPI-ONEGZZNKSA-N
- CAS Registry Number: 62238-34-0
- Chemical structure:
This structure is also available as a 2d Mol file - Species with the same structure:
- Stereoisomers:
- Information on this page:
- Options:
Mass spectrum (electron ionization)
Go To: Top, Gas Chromatography, 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
Spectrum
Notice: This spectrum may be better viewed with a Javascript and HTML 5 enabled browser.
Additional Data
View image of digitized spectrum (can be printed in landscape orientation).
Due to licensing restrictions, this spectrum cannot be downloaded.
Owner | NIST Mass Spectrometry Data Center Collection (C) 2014 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
---|---|
Origin | D.HENNEBERG, MAX-PLANCK INSTITUTE, MULHEIM, WEST GERMANY |
NIST MS number | 61423 |
Gas Chromatography
Go To: Top, Mass spectrum (electron ionization), 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, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | DB-5MS | 898. | Turchini, Giani, et al., 2004 | 30. m/0.25 mm/0.25 μm, He; Program: 35C => 120C/min => 60C1.5C/min => 100C => 5C/min => 280C |
Capillary | BPX-5 | 911. | Elmore, Mottram, et al., 1997 | 50. m/0.32 mm/0.5 μm, He; Program: 0C (10min) => 40C/min => 40C (2min) => 4C/min => 280C |
Van Den Dool and Kratz RI, polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | CP-Wax 52CB | 1243. | Chevance, Farmer, et al., 2000 | 60. C @ 5. min, 4. K/min, 220. C @ 30. min; Column length: 50. m; Column diameter: 0.32 mm |
Normal alkane RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | DB-5 | 895. | Chyau, Tsai, et al., 2007 | 60. m/0.25 mm/0.25 μm, He, 3. K/min; Tstart: 40. C; Tend: 220. C |
Capillary | SPB-5 | 899. | Sebastian, Viallon-Fernandez, et al., 2003 | 60. m/0.32 mm/1.0 μm, Helium, 3. K/min; Tstart: 30. C; Tend: 230. C |
Capillary | DB-1 | 870. | Habu, Flath, et al., 1985 | 3. K/min; Column length: 50. m; Column diameter: 0.32 mm; Tstart: 0. C; Tend: 250. C |
Capillary | DB-1 | 870. | Habu, Flath, et al., 1985 | 3. K/min; Column length: 50. m; Column diameter: 0.32 mm; Tstart: 50. C; Tend: 250. C |
Normal alkane RI, non-polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | TR-5 MS | 919. | Kurashov, Krylova, et al., 2013 | 15. m/0.25 mm/0.25 μm, Helium; Program: 35 0C (3 min) 2 0C/min -> 60 0C (3 min) 2 0C/min -> 80 0C (3 min) 4 0C/min -> 120 0C (3 min) 5 0C/min -> 150 0C (3 mion) 15 0C/min -> 240 0C (10 min) |
Capillary | SLB-5 MS | 901. | Mondello, 2012 | 30. m/0.25 mm/0.25 μm, Helium; Program: not specified |
Capillary | SLB-5 MS | 902. | Mondello, 2012 | 30. m/0.25 mm/0.25 μm, Helium; Program: not specified |
Capillary | HP-5 MS | 898. | Turchini, Giani, et al., 2005 | 30. m/0.25 mm/0.25 μm, Helium; Program: 35 0C (1 min) 120 0C/min -> 60 0C 1.5 0C/min -> 100 0C 5 0C/min -> 280 0C |
Capillary | MDN-5 | 889. | Turchimi, Mentasti, et al., 2004 | 30. m/0.25 mm/0.25 μm, Helium; Program: 35 0C (1 min) 120 0C/min -> 60 0C 2 0C/min -> 280 0C |
Capillary | DB-5MS | 895. | Young, Lane, et al., 2003 | 30. m/0.25 mm/1. μm; Program: 50C => 3C/min => 160C => 6C/min => 250C => 25C/min => 325C |
Capillary | DB-5 | 898. | Young and Baumeister, 1999 | 30. m/0.53 mm/1. μm; Program: -40C(10min) => 70C/min => 40C(5min) => 3C/min => 180C => 6C/min => 280C(5min) |
Normal alkane RI, polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | CP-Wax 52CB | 1252. | Chyau, Tsai, et al., 2007 | 60. m/0.25 mm/0.25 μm, He, 3. K/min; Tstart: 40. C; Tend: 220. C |
Capillary | Carbowax 20M | 1198. | Xue, Ye, et al., 2000 | He, 60. C @ 2. min, 5. K/min, 190. C @ 20. min; Column length: 25. m; Column diameter: 0.3 mm |
References
Go To: Top, Mass spectrum (electron ionization), Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Turchini, Giani, et al., 2004
Turchini, G.M.; Giani, I.; Caprino, F.; Moretti, V.M.; Valfrè, F.,
Discrimination of origin of farmed trout by means of biometrical parameters, fillet composition and flavor volatile compounds,
Ital. J. Anim. Sci., 2004, 3, 123-140. [all data]
Elmore, Mottram, et al., 1997
Elmore, J.S.; Mottram, D.S.; Enser, M.; Wood, J.D.,
Novel thiazoles and 3-thiazolines in cooked beef aroma,
J. Agric. Food Chem., 1997, 45, 9, 3603-3607, https://doi.org/10.1021/jf970066m
. [all data]
Chevance, Farmer, et al., 2000
Chevance, F.F.V.; Farmer, L.J.; Desmond, E.M.; Novelli, E.; Troy, D.J.; Chizzolini, R.,
Effect of some fat replacers on the release of volatile aroma compounds from low-fat meat products,
J. Agric. Food Chem., 2000, 48, 8, 3476-3484, https://doi.org/10.1021/jf991211u
. [all data]
Chyau, Tsai, et al., 2007
Chyau, C.-C.; Tsai, S.-Y.; Yang, J.-H.; Weng, C.-C.; Han, C.-M.; Shih, C.-C.; Mau, J.-L.,
The essential oil of Glossogyne tenuifolia,
Food Chem., 2007, 100, 2, 808-812, https://doi.org/10.1016/j.foodchem.2005.10.044
. [all data]
Sebastian, Viallon-Fernandez, et al., 2003
Sebastian, I.; Viallon-Fernandez, C.; Berge, P.; Berdague, J.-L.,
Analysis of the volatile fraction of lamb fat tissue: influence of the type of feeding,
Sciences des Aliments, 2003, 23, 4, 497-511, https://doi.org/10.3166/sda.23.497-511
. [all data]
Habu, Flath, et al., 1985
Habu, T.; Flath, R.A.; Mon, T.R.; Morton, J.F.,
Volatile components of Rooibos tea (Aspalathus linearis),
J. Agric. Food Chem., 1985, 33, 2, 249-254, https://doi.org/10.1021/jf00062a024
. [all data]
Kurashov, Krylova, et al., 2013
Kurashov, E.A.; Krylova, Yu.V.; Mitrukova, G.G.,
Variations in component composition of essential oil of Potamogeton pusillus (Potamogetonaceae) dirong vegetation,
Plant Resources (Rastitel'nye Resursy), 2013, 000-000. [all data]
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]
Turchini, Giani, et al., 2005
Turchini, G.M.; Giani, I.; Caprino, F.; Moretti, V.M.M.; Valfre, F.,
Discrimination of origin og farmed trout by means of biometrical parameters, fillet composition and flavor volatile compounds,
Ital. J. Animal Sci., 2005, 3, 123-140. [all data]
Turchimi, Mentasti, et al., 2004
Turchimi, G.N.; Mentasti, T.; Carpino, F.; Panseri, S.; Moretti, V.M.; Valfre, F.,
Effects of dietary lipid sources on flavour volatile compounds of brown trout (Salmo trurra L.) fillet,
J. Appl. Ichtyol., 2004, 20, 1, 71-75, https://doi.org/10.1046/j.0175-8659.2003.00522.x
. [all data]
Young, Lane, et al., 2003
Young, O.A.; Lane, G.A.; Priolo, A.; Fraser, K.,
Pastoral and species flavour in lambs raised on pasture, lucerne or maize,
J. Sci. Food Agric., 2003, 83, 2, 93-104, https://doi.org/10.1002/jsfa.1282
. [all data]
Young and Baumeister, 1999
Young, O.A.; Baumeister, B.M.B.,
The effect of diet on the flavour of cooked beef and the odour compounds in beef fat,
N.Z. J. Agric. Res., 1999, 42, 3, 297-304, https://doi.org/10.1080/00288233.1999.9513379
. [all data]
Xue, Ye, et al., 2000
Xue, C.; Ye, M.; Li, Z.; Cai, Y.; Tan, L.; Lin, H.; Sakaguchi, M.,
Changes in the volatile compounds of Yellowtail (Seriola aureovitata) during refrigerated storage,
Asian Fisheries Sciences, 2000, 13, 263-270. [all data]
Notes
Go To: Top, Mass spectrum (electron ionization), 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.