Disulfide, methyl propyl
- Formula: C4H10S2
- Molecular weight: 122.252
- IUPAC Standard InChIKey: PUCHCUYBORIUSM-UHFFFAOYSA-N
- CAS Registry Number: 2179-60-4
- 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: Methyl propyl disulfide; 2,3-Dithiahexane; Methyl n-propyl disulfide; Methyl propyl disulphide; 1-Methyl-2-propyldisulfane; 1-(Methyldisulfanyl)propane
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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
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Additional Data
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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. |
---|---|
NIST MS number | 2285 |
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
Kovats' RI, non-polar column, isothermal
Column type | Active phase | Temperature (C) | I | Reference | Comment |
---|---|---|---|---|---|
Capillary | OV-101 | 130. | 928. | Misharina and Golovnya, 1989 | He; Column length: 50. m; Column diameter: 0.32 mm |
Packed | Apiezon M | 130. | 946. | Garbuzov, Misharina, et al., 1985 | He or N2, Chromosorb W, AW-DMCS; Column length: 2.1 m |
Kovats' RI, polar column, isothermal
Column type | Active phase | Temperature (C) | I | Reference | Comment |
---|---|---|---|---|---|
Packed | Carbowax 20M | 110. | 1260. | Möckel and Zolg, 1977 | He, Chromosorb W AW (80-100 mesh); Column length: 6. m |
Van Den Dool and Kratz RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | DB-5 | 946. | Mahattanatawee K., Perez-Cacho P.R., et al., 2007 | 30. m/0.32 mm/0.5 μm, He, 7. K/min, 265. C @ 5. min; Tstart: 40. C |
Capillary | BPX-5 | 940. | Oruna-Concha, Duckham, et al., 2001 | 50. m/0.32 mm/0.25 μm, He, 35. C @ 3. min, 4. K/min, 250. C @ 10. min |
Capillary | DB-1 | 914. | Pino, Fuentes, et al., 2001 | He, 60. C @ 4. min, 4. K/min; Column length: 30. m; Column diameter: 0.32 mm; Tend: 250. C |
Capillary | DB-1 | 920. | Yu, Lin, et al., 1994 | 60. m/0.25 mm/1.0 μm, He, 40. C @ 5. min, 2. K/min, 260. C @ 60. min |
Capillary | Ultra-1 | 909.7 | Farkas, Hradský, et al., 1992 | 25. m/0.2 mm/0.33 μm, H2, 2. K/min; Tstart: 60. C; Tend: 230. C |
Capillary | HP-1 | 912. | Kuo and Ho, 1992 | 50. m/0.32 mm/1.05 μm, He, 2. K/min; Tstart: 40. C; Tend: 260. C |
Capillary | HP-1 | 915. | Kuo and Ho, 1992, 2 | 50. m/0.32 mm/1.05 μm, He, 2. K/min; Tstart: 40. C; Tend: 260. C |
Capillary | OV-101 | 914. | Misharina and Golovnya, 1989 | He, 4. K/min; Column length: 50. m; Column diameter: 0.32 mm; Tstart: 50. C; Tend: 250. C |
Capillary | OV-1 | 914. | Schreyen, Dirinck, et al., 1976 | 1. K/min; Column length: 183. m; Column diameter: 0.762 mm; Tstart: 0. C; Tend: 230. C |
Capillary | OV-1 | 914. | Schreyen, Dirinck, et al., 1976, 2 | N2, 1. K/min; Column length: 183. m; Tstart: 0. C; Tend: 230. C |
Capillary | OV-1 | 922. | Schreyen, Dirinck, et al., 1976, 2 | N2, 1. K/min; Column length: 183. m; Tstart: 0. C; Tend: 230. C |
Van Den Dool and Kratz RI, non-polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | HP-5MS | 932.1 | Andriamaharavo, 2014 | 30. m/0.25 mm/0.25 μm, He; Program: 60C (1 min) => 5 C/min => 210C => 10 C/min => 280C (15 min) |
Capillary | SPB-1 | 912. | Mochizuki, Yamamoto, et al., 1998 | 30. m/0.32 mm/4.0 μm, N2; Program: 40 0C (10 min), 2 0C/min to 180 0C, 25 0C/min to 250 0C (5 min) |
Van Den Dool and Kratz RI, polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | DB-Wax | 1238. | Mahattanatawee K., Perez-Cacho P.R., et al., 2007 | 30. m/0.32 mm/0.5 μm, He, 7. K/min, 240. C @ 5. min; Tstart: 40. C |
Capillary | FFAP | 1218. | Calvo-Gómez, Morales-López, et al., 2004 | 30. m/0.25 mm/0.25 μm, He, 40. C @ 3. min, 5. K/min; Tend: 220. C |
Capillary | DB-Wax | 1242. | Nielsen, Larsen, et al., 2004 | 30. m/0.25 mm/0.25 μm, He, 45. C @ 10. min, 6. K/min, 240. C @ 30. min |
Capillary | DB-Wax | 1217. | Nielsen and Poll, 2004 | 30. m/0.25 mm/0.25 μm, He, 45. C @ 10. min, 3. K/min, 240. C @ 30. min |
Capillary | HP-Innowax | 1271. | Storsberg, Schulz, et al., 2004 | 60. m/0.25 mm/0.5 μm, H2, 10. K/min; Tstart: 35. C; Tend: 220. C |
Capillary | DB-Wax | 1242. | Nielsen, Larsen, et al., 2003 | 30. m/0.25 mm/0.25 μm, He, 40. C @ 10. min, 6. K/min, 240. C @ 30. min |
Capillary | DB-Wax | 1226. | Cha, Kim, et al., 1998 | 60. m/0.25 mm/0.25 μm, 40. C @ 5. min, 3. K/min, 200. C @ 60. min |
Capillary | DB-Wax | 1218. | Cha, Kim, et al., 1998 | 30. m/0.32 mm/0.25 μm, He, 40. C @ 5. min, 6. K/min, 200. C @ 30. min |
Capillary | HP-Innowax | 1263. | Schulz, Krüger, et al., 1998 | 60. m/0.25 mm/0.5 μm, H2, 4. K/min; Tstart: 80. C; Tend: 220. C |
Capillary | CP-Wax 52CB | 1205. | Yu, Wu, et al., 1993 | 50. m/0.32 mm/0.25 μm, H2, 40. C @ 10. min, 1.5 K/min, 200. C @ 60. min |
Capillary | CP-Wax 52CB | 1252. | Yu, Wu, et al., 1989 | N2, 2. K/min; Column length: 50. m; Column diameter: 0.22 mm; Tstart: 50. C; Tend: 200. C |
Capillary | CP-Wax 52CB | 1252. | Yu, Wu, et al., 1989, 2 | N2, 2. K/min; Column length: 50. m; Column diameter: 0.22 mm; Tstart: 50. C; Tend: 200. C |
Normal alkane RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | HP-1 | 908. | Lopes, Godoy, et al., 1997 | 25. m/0.32 mm/0.17 μm, H2, 5. K/min; Tstart: 40. C; Tend: 200. C |
Capillary | DB-1 | 895. | Hanum, Sinha, et al., 1995 | 30. m/0.25 mm/0.25 μm, He, 5. K/min; Tstart: 35. C; Tend: 150. C |
Capillary | DB-5 | 913. | Sinha, Guyer, et al., 1992 | He, 2. K/min; Column length: 30. m; Column diameter: 0.2 mm; Tstart: 30. C; Tend: 200. C |
Normal alkane RI, non-polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | HP-5 MS | 894. | Grzeszczuk, Wesolowska, et al., 2011 | 30. m/0.25 mm/0.25 μm, Helium; Program: 40 0C (5 min) 30 0C/min -> 60 0C 6 0C/min -> 230 0C (10 min) |
Capillary | HP-5 | 938. | Rotsatschakul, Visesanguan, et al., 2009 | 60. m/0.25 mm/0.25 μm, Helium; Program: 30 0C (2 min) 2 0Cmin -> 60 0C 10 0C/min -> 100 0C 20 0C/min -> 140 0C 10 0C/min -> 200 0C (10 min) |
Capillary | HP-5 MS | 923. | Pyun and Shin, 2006 | 30. m/0.25 mm/0.25 μm; Program: 40 0C (3 min) 2 0C/min -> 150 0C 20 0C/min -> 220 0C (5 min) |
Capillary | SE-30 | 914. | Vinogradov, 2004 | Program: not specified |
Capillary | SE-30 | 914. | Vinogradov, 2004 | Program: not specified |
Capillary | Apieson M | 946. | Gao, Wang, et al., 2003 | Program: not specified |
Capillary | OV-1, SE-30, Methyl silicone, SP-2100, OV-101, DB-1, etc. | 913. | Waggott and Davies, 1984 | Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified |
Packed | Apiezon M | 936. | Golovnya, Misharina, et al., 1983 | N2, Chromosorb W AW/DMCS; Column length: 5.6 m; Program: 60C(7min), 100C(7min), 150C isothermal |
Normal alkane RI, polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | Supelcowax-10 | 1215. | Chin, Nazimah, et al., 2007 | 10. m/0.1 mm/0.1 μm, He, 40. C @ 1.5 min, 50. K/min, 240. C @ 2. min |
Capillary | DB-Wax | 1243. | Chyau and Mau, 2001 | 60. m/0.32 mm/0.25 μm, 50. C @ 5. min, 1.5 K/min, 210. C @ 10. min |
Capillary | CP-Wax 52CB | 1252. | Chyau, Lin, et al., 1997 | 50. m/0.32 mm/0.25 μm, He, 50. C @ 5. min, 1.5 K/min, 210. C @ 10. min |
Normal alkane RI, polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | DB-Wax | 1229. | Gyawalia, Seo, et al., 2006 | 60. m/0.2 mm/0.25 μm, He; Program: 40C(3min) => 2C/min => 150C => 4C/min => 220C(20min) => 5C/min => 230C |
Capillary | DB-Wax | 1227. | Kim. J.H., Ahn, et al., 2004 | 60. m/0.25 mm/0.25 μm, Helium; Program: 60 0C (3 min) 2 0C/min -> 150 0C 4 0C/min -> 200 0C |
Capillary | Carbowax 20M | 1240. | Vinogradov, 2004 | Program: not specified |
Capillary | PEG-1000 | 1274. | Gao, Wang, et al., 2003 | Program: not specified |
Capillary | CP-Wax 52CB | 1225. | Jakobsen, Hansen, et al., 1998 | 50. m/0.25 mm/0.2 μm, He; Program: 30C (1.5min) => 3C/min => 120C => 10C/min => 220C (3.5min) |
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.
Misharina and Golovnya, 1989
Misharina, T.A.; Golovnya, R.V.,
Regularities of retention of a pseudohomologous series of dialkylpolysulfides in capillary gas chromatography,
Zh. Anal. Khim., 1989, 44, 514-519. [all data]
Garbuzov, Misharina, et al., 1985
Garbuzov, V.G.; Misharina, T.A.; Aerov, A.F.; Golovnya, R.V.,
Gas chromatographic retention indices for sulphur(II)-containing organic substances,
J. Anal. Chem. USSR (Engl. Transl.), 1985, 40, 4, 576-586. [all data]
Möckel and Zolg, 1977
Möckel, H.J.; Zolg, M.,
Retentionsindices n-aliphatischer Schwefelverbindungen,
Z. Anal. Chem., 1977, 285, 1, 45-46, https://doi.org/10.1007/BF00446017
. [all data]
Mahattanatawee K., Perez-Cacho P.R., et al., 2007
Mahattanatawee K.; Perez-Cacho P.R.; Davenport T.; Rouseff R.,
Comparison of three lychee cultivar odor profiles using gas chromatography-olfactometry and gas chromatography-sulfur detection,
J. Agric. Food Chem., 2007, 55, 5, 1939-1944, https://doi.org/10.1021/jf062925p
. [all data]
Oruna-Concha, Duckham, et al., 2001
Oruna-Concha, M.J.; Duckham, S.C.; Ames, J.M.,
Comparison of volatile compounds isolated from the skin and flesh of four potato cultivars after baking,
J. Agric. Food Chem., 2001, 49, 5, 2414-2421, https://doi.org/10.1021/jf0012345
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Pino, Fuentes, et al., 2001
Pino, J.A.; Fuentes, V.; Correa, M.T.,
Volatile constituents of Chinese chive (Allium tuberosum Rottl. ex Sprengel) and Rakkyo (Allium chinense G. Don),
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Yu, Lin, et al., 1994
Yu, T.-H.; Lin, L.-Y.; Ho, C.-T.,
Volatile compounds of blanched, fried blanched, and baked blanched garlic slices,
J. Agric. Food Chem., 1994, 42, 6, 1342-1347, https://doi.org/10.1021/jf00042a018
. [all data]
Farkas, Hradský, et al., 1992
Farkas, P.; Hradský, P.; Kovác, M.,
Novel flavour components identified in the steamn distillate of onion (Allium cepa L.),
Z. Lebensm. Unters. Forsch., 1992, 195, 5, 459-462, https://doi.org/10.1007/BF01191718
. [all data]
Kuo and Ho, 1992
Kuo, M.-C.; Ho, C.-T.,
Volatile constituents of the distilled oils of Welsh onions (Allium fistulosum L. variety Maichuon) and scallions (Allium fistulosum L. variety Caespitosum),
J. Agric. Food Chem., 1992, 40, 1, 111-117, https://doi.org/10.1021/jf00013a021
. [all data]
Kuo and Ho, 1992, 2
Kuo, M.-C.; Ho, C.-T.,
Volatile constituents of the solvent extracts of Welsh onions (Allium fistulosum L. variety Maichuon) and scallions (A. fistulosum L. variety caepitosum),
J. Agric. Food Chem., 1992, 40, 10, 1906-1910, https://doi.org/10.1021/jf00022a036
. [all data]
Schreyen, Dirinck, et al., 1976
Schreyen, L.; Dirinck, P.; van Wassenhove, F.; Schamp, N.,
Analysis of leek volatiles by headspace condensation,
J. Agric. Food Chem., 1976, 24, 6, 1147-1152, https://doi.org/10.1021/jf60208a023
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Schreyen, Dirinck, et al., 1976, 2
Schreyen, L.; Dirinck, P.; van Wassenhove, F.; Schamp, N.,
Volatile flavor components of leek,
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. [all data]
Andriamaharavo, 2014
Andriamaharavo, N.R.,
Retention Data. NIST Mass Spectrometry Data Center., NIST Mass Spectrometry Data Center, 2014. [all data]
Mochizuki, Yamamoto, et al., 1998
Mochizuki, E.; Yamamoto, T.; Komiyama, Y.; Nakazawa, H.,
Identification of allium products using flame photometric detection gas chromatography and distribution patterns of volatile sulfur compounds,
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Calvo-Gómez, Morales-López, et al., 2004
Calvo-Gómez, O.; Morales-López, J.; López, M.G.,
Solid-phase microextraction-gas chromatographic-mass spectrometric analysis of garlic oil obtained by hydrodistillation,
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Nielsen, Larsen, et al., 2004
Nielsen, G.S.; Larsen, L.M.; Poll, L.,
Impact of blanching and packaging atmosphere on the formation of aroma compounds during long-term frozen storage of leek (Allium ampeloprasum Var. Bulga) slices,
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Nielsen and Poll, 2004
Nielsen, G.S.; Poll, L.,
Determination of odor active aroma compounds in freshly cut leek (Allium ampeloprasum Var. Bulga) and in long-term stored frozen unblanched and blanched leek slices by gas chromatography olfactometry analysis,
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. [all data]
Storsberg, Schulz, et al., 2004
Storsberg, J.; Schulz, H.; Keusgen, M.; Tannous, F.; Dehmer, K.J.; Joachim Keller, E.R.,
Chemical characterization of interspecific hybrids between Allium cepa L. and Allium kermesinum Rchb.,
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Nielsen, Larsen, et al., 2003
Nielsen, G.S.; Larsen, L.M.; Poll, L.,
Formation of aroma compounds and lipoxygenase (EC 1.13.11.12) activity in unblanced leek (Allium ampeloprasum Var. Bulga) slices during long-term frozen storage,
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. [all data]
Cha, Kim, et al., 1998
Cha, Y.J.; Kim, H.; Cadwallader, K.R.,
Aroma-active compounds in Kimchi during fermentation,
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. [all data]
Schulz, Krüger, et al., 1998
Schulz, H.; Krüger, H.; Liebmann, J.; Peterka, H.,
Distribution of volatile sulfur compounds in an interspecific hybrid between onion (Allium cepa L.) and leek (Allium porrum L.),
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. [all data]
Yu, Wu, et al., 1993
Yu, T.-H.; Wu, C.-M.; Ho, C.-T.,
Volatile compounds of deep-oil fried, microwave-heated, and oven-baked garlic slices,
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Yu, Wu, et al., 1989
Yu, T.-H.; Wu, C.-M.; Liou, Y.-C.,
Volatile compounds from garlic,
J. Agric. Food Chem., 1989, 37, 3, 725-730, https://doi.org/10.1021/jf00087a032
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Yu, Wu, et al., 1989, 2
Yu, T.-H.; Wu, C.-M.; Chen, S.-Y.,
Effects of pH adjustment and heat treatment on the stability and the formation of volatile compounds of garlic,
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Lopes, Godoy, et al., 1997
Lopes, D.; Godoy, R.L.O.; Goncalves, S.L.; Koketsu, M.; Oliveira, A.M.,
Sulphur constituents of the essential oil of Nira (Allium tuberosum Rottl.) cultivated in Brazil,
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Hanum, Sinha, et al., 1995
Hanum, T.; Sinha, N.K.; Guyer, D.E.; Cash, J.N.,
Pyruvate and flavor development in macerated onions (Allium cepa L.) by γ-glutamyl transpeptidase and exogenous C-S lyase,
Food Chem., 1995, 54, 2, 183-188, https://doi.org/10.1016/0308-8146(95)00027-G
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Sinha, Guyer, et al., 1992
Sinha, N.K.; Guyer, D.E.; Gage, D.A.; Lira, C.T.,
Supercritical carbon dioxide extraction of onion flavors and their analysis by gas chromatography-mass spectrometry,
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Grzeszczuk, Wesolowska, et al., 2011
Grzeszczuk, M.; Wesolowska, A.; Jadczak, D.; Jakubowska, B.,
Nutritional value of Chili edible flowers,
Acta Sci. Pol. Hortorum Cultus, 2011, 10, 2, 85-94. [all data]
Rotsatschakul, Visesanguan, et al., 2009
Rotsatschakul, P.; Visesanguan, W.; Smitinont, T.; Chaiseri, S.,
Changes in volatile compounds during fermentation of nham (Thai fermented sausage),
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Pyun and Shin, 2006
Pyun, M.-S.; Shin, S.,
Antifungal effects of the volatile oils from Allium plants against Trichophyton species and synergism of the oils with ketoconazole,
Phytomedicine, 2006, 13, 6, 394-400, https://doi.org/10.1016/j.phymed.2005.03.011
. [all data]
Vinogradov, 2004
Vinogradov, B.A.,
Production, composition, properties and application of essential oils, 2004, retrieved from http://viness.narod.ru. [all data]
Gao, Wang, et al., 2003
Gao, Y.; Wang, Y.; Yao, X.; Zhang, X.; Liu, M.; Hu, Z.; Fan, B.,
The prediction for gas chromatographic retention index of disulfides on stationary phases of different polarity,
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. [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]
Golovnya, Misharina, et al., 1983
Golovnya, R.V.; Misharina, T.A.; Garbuzov, V.G.; Medvedyev, F.A.,
Volatile sulfur containing compounds in simulated meat flavour and their comparison with the constituents of natural aroma,
Nahrung, 1983, 27, 3, 237-249, https://doi.org/10.1002/food.19830270314
. [all data]
Chin, Nazimah, et al., 2007
Chin, S.T.; Nazimah, S.A.H.; Quek, S.Y.; Che Man, Y.B.; Rahman, R.A.; Hashim, D.M.,
Analysis of volatile compounds from Malaysian durians (Durio zibethinus) using headspace SPME coupled to fast GC-MS,
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. [all data]
Chyau and Mau, 2001
Chyau, C.-C.; Mau, J.-L.,
Effects of various oils on volatile compounds of deep-fried shallot flavouring,
Food Chem., 2001, 74, 1, 41-46, https://doi.org/10.1016/S0308-8146(00)00336-8
. [all data]
Chyau, Lin, et al., 1997
Chyau, C.-C.; Lin, Y.-C.; Mau, J.-L.,
Storage stability of deep-fried shallot flavoring,
J. Agric. Food Chem., 1997, 45, 8, 3211-3215, https://doi.org/10.1021/jf970109z
. [all data]
Gyawalia, Seo, et al., 2006
Gyawalia, R.; Seo, H.-Y.; Lee, H.-J.; Song, H.-P.; Kim, D.-H.; Byun, M.-W.; Kim, K.-S.,
Effect of γ-irradiation on volatile compounds of dried Welsh onion (Allium fistulosum L.),
Radiat. Phys. Chem., 2006, 75, 2, 322-328, https://doi.org/10.1016/j.radphyschem.2005.07.001
. [all data]
Kim. J.H., Ahn, et al., 2004
Kim. J.H.; Ahn, H.J.; Yook, H.S.; Kim, K.S.; Rhee, M.S.; Ryu, G.H.; Byun, M.W.,
Color, flavor, and sensory characteristics of gamma-irradiated salted and fermented anchovy sauce,
Radiation Phys. Chem., 2004, 69, 2, 179-187, https://doi.org/10.1016/S0969-806X(03)00400-6
. [all data]
Jakobsen, Hansen, et al., 1998
Jakobsen, H.B.; Hansen, M.; Christensen, M.R.; Brockhoff, P.B.; Olsen, C.E.,
Aroma volatiles of blanched green peas (Pisum sativum L.),
J. Agric. Food Chem., 1998, 46, 9, 3727-3734, https://doi.org/10.1021/jf980026y
. [all data]
Notes
Go To: Top, Mass spectrum (electron ionization), Gas Chromatography, References
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