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1-Propanol, 3-(methylthio)-


Normal alkane RI, polar column, temperature ramp

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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 CapillaryCapillaryCapillaryCapillaryCapillary
Active phase HP-FFAPHP-FFAPHP-FFAPAT-WaxDB-Wax
Column length (m) 25.25.25.60.60.
Carrier gas HeliumHeliumHeliumHeliumHelium
Substrate      
Column diameter (mm) 0.320.320.320.250.25
Phase thickness (mum) 0.500.500.500.250.25
Tstart (C) 45.45.45.60.50.
Tend (C) 220.220.220.280.220.
Heat rate (K/min) 15.15.15.4.3.
Initial hold (min)     2.
Final hold (min)     20.
I 1742.1744.1744.1733.1694.
ReferenceWanakhachornkrai and Lertsiri, 9999Wanakhachornkrai and Lertsiri, 9999Wanakhachornkrai and Lertsiri, 9999Kiss, Csoka, et al., 2011Onishi, Inoue, et al., 2011
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase VF-Wax MSCP Wax 52 CBInnowaxDB-WaxDB-Wax
Column length (m) 60.30.30.30.15.
Carrier gas HeliumHelium HeHe
Substrate      
Column diameter (mm) 0.250.320.250.250.32
Phase thickness (mum) 0.250.500.250.250.25
Tstart (C) 60.40.40.40.40.
Tend (C) 220.230.200.230.230.
Heat rate (K/min) 3.4.10.4.6.
Initial hold (min) 5.2.5.2. 
Final hold (min) 25.15.15.5.20.
I 1715.1717.1727.1695.1704.
ReferenceDuarte, Dias, et al., 2010Birtic, Ginies, et al., 2009Kaypak and Avsar, 2008Xu, Fan, et al., 2007Kishimoto, Wanikawa, et al., 2006
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase HP-InnowaxDB-Wax EtrDB-WaxDB-WaxDB-Wax
Column length (m) 30.30.30.30.30.
Carrier gas HeHeH2H2He
Substrate      
Column diameter (mm) 0.250.250.320.250.25
Phase thickness (mum) 0.50.250.50.50.25
Tstart (C) 40.40.40.50.40.
Tend (C) 200.220.200.200.185.
Heat rate (K/min) 2.2.4.3.4.
Initial hold (min) 3.1.5.10.4.
Final hold (min) 15.10. 10.20.
I 1704.1748.1745.1730.1714.
ReferenceKomes, Ulrich, et al., 2006Perestrelo, Fernandes, et al., 2006Culleré, Escudero, et al., 2004Alves and Franco, 2003Lee and Noble, 2003
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-WaxHP-FFAPHP-FFAPHP-FFAPDB-Wax
Column length (m) 30.25.25.25.30.
Carrier gas H2HeHeHeH2
Substrate      
Column diameter (mm) 0.320.320.320.320.32
Phase thickness (mum) 0.50.50.50.50.5
Tstart (C) 40.45.45.45.40.
Tend (C) 200.220.220.220.200.
Heat rate (K/min) 4.15.15.15.4.
Initial hold (min) 5.   5.
Final hold (min)      
I 1744.1744.1744.1742.1737.
ReferenceLópez, Ortín, et al., 2003Wanakhachornkrai and Lertsiri, 2003Wanakhachornkrai and Lertsiri, 2003Wanakhachornkrai and Lertsiri, 2003Ferreira, Ortín, et al., 2002
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-WaxDB-WaxDB-WaxDB-WaxDB-Wax
Column length (m) 60.30.30.60.30.
Carrier gas HeHeHeHeH2
Substrate      
Column diameter (mm) 0.250.250.250.250.32
Phase thickness (mum) 0.250.250.250.250.5
Tstart (C) 40.50.50.40.40.
Tend (C) 220.220.220.200.200.
Heat rate (K/min) 3.4.4.2.4.
Initial hold (min) 10.4.4.2.5.
Final hold (min) 10.20.20. 60.
I 1721.1710.1714.1708.1738.
ReferenceHayata, Sakamoto, et al., 2002Osorio, Duque, et al., 2002Osorio, Duque, et al., 2002Umano, Hagi, et al., 2002Aznar, López, et al., 2001
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-WaxDB-WaxDB-WaxDB-WaxDB-Wax
Column length (m) 30.30.30.30.30.
Carrier gas H2H2H2HeHe
Substrate      
Column diameter (mm) 0.320.320.320.250.25
Phase thickness (mum) 0.50.50.50.250.25
Tstart (C) 40.60.60.50.50.
Tend (C) 200.245.245.240.240.
Heat rate (K/min) 4.3.3.4.4.
Initial hold (min) 5.3.3.3.3.
Final hold (min) 60.20.20.10.10.
I 1738.1715.1715.1702.1710.
ReferenceFerreira, Aznar, et al., 2001Kotseridis and Baumes, 2000Kotseridis and Baumes, 2000Parada, Duque, et al., 2000Parada, Duque, et al., 2000
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase Carbowax 20MHP-InnowaxDB-WaxDB-WaxDB-Wax
Column length (m) 60.25.30.30.60.
Carrier gas He HeHeHe
Substrate      
Column diameter (mm) 0.320.320.250.250.25
Phase thickness (mum) 0.5 0.250.25 
Tstart (C) 40.35.50.50.50.
Tend (C) 190.250.240.240.200.
Heat rate (K/min) 2.4.4.4.3.
Initial hold (min) 5. 3.3. 
Final hold (min)   10.10.40.
I 1714.1708.1702.1710.1734.
ReferenceLopez, Ferreira, et al., 1999Ong, Acree, et al., 1998Parada and Duque, 1998Parada and Duque, 1998Wada and Shibamoto, 1997
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase PEG-20MSupelcowax-10Supelcowax-10Supelcowax-10Carbowax 20M
Column length (m) 50.90.60.60.50.
Carrier gas NitrogenHe  He
Substrate      
Column diameter (mm) 0.250.250.750.750.33
Phase thickness (mum) 0.250.251.1. 
Tstart (C) 60.35.80.80.60.
Tend (C) 180.220.200.200.200.
Heat rate (K/min) 2.2.2.2.3.
Initial hold (min)  20.5.5. 
Final hold (min)  30.   
I 1676.1763.1727.1731.1725.
ReferenceKubota, Matsujage, et al., 1996Girard and Lau, 1995Miranda-López, Libbey, et al., 1992Miranda-López, Libbey, et al., 1992Vernin, Metzger, et al., 1992
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI

References

Go To: Top, Normal alkane RI, polar column, temperature ramp, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Wanakhachornkrai and Lertsiri, 9999
Wanakhachornkrai, P.; Lertsiri, S., Comparison of determination method for volatile compounds in Thai soy sauce, Analytical, Nutritional and Clinical Methods, 9999, 1-11. [all data]

Kiss, Csoka, et al., 2011
Kiss, M.; Csoka, M.; Gyorfi, J.; Korany, K., Comparison of the fragrance constituents of Tuber aestivium and Tuber Brumale gathered in Hungary, J. Appl. Botany Food Quality, 2011, 84, 102-110. [all data]

Onishi, Inoue, et al., 2011
Onishi, M.; Inoue, M.; Araki, T.; Iwabuchi, H.; Sagara, Y., Odorant transfer characteristics of white bread during baking, Biosci Biotechnol. Biochem., 2011, 75, 2, 261-267, https://doi.org/10.1271/bbb.100572 . [all data]

Duarte, Dias, et al., 2010
Duarte, W.F.; Dias, D.R.; Oliveira, J.M.; Teixeira, J.A.; de Almeida e Silva, J.B.; Schwan, R.F., Characterization of different fruit wines made from cacao,cupuassu, gabiroba, jaboticaba and umbu, Food Sci. Technol., 2010, 43, 1564-1572. [all data]

Birtic, Ginies, et al., 2009
Birtic, S.; Ginies, C.; Causse, M.; Renard, C.M.G.C.; Page, D., Changes in volatiles and glycosides during fruit maturartion of two contrasted tomato (Solanum lycopersicum) lines, J. Agric. Food Chem., 2009, 57, 2, 591-598, https://doi.org/10.1021/jf8023062 . [all data]

Kaypak and Avsar, 2008
Kaypak, D.; Avsar, Y.K., Volatile and odor-active compounds of tuzlu yoghurt, Asian J. Chem., 2008, 20, 5, 3641-3648. [all data]

Xu, Fan, et al., 2007
Xu, Y.; Fan, W.; Qian, M.C., Characterization of Aroma Compounds in Apple Cider Using Solvent-Assisted Flavor Evaporation and Headspace Solid-Phase Microextraction, J. Agric. Food Chem., 2007, 55, 8, 3051-3057, https://doi.org/10.1021/jf0631732 . [all data]

Kishimoto, Wanikawa, et al., 2006
Kishimoto, T.; Wanikawa, A.; Kono, K.; Shibata, K., Comparison of the Odor-Active Compounds in Unhopped Beer and Beers Hopped with Different Hop Varieties, J. Agric. Food Chem., 2006, 54, 23, 8855-8861, https://doi.org/10.1021/jf061342c . [all data]

Komes, Ulrich, et al., 2006
Komes, D.; Ulrich, D.; Lovric, T., Characterization of odor-active compounds in Croatian Rhine Riesling wine, subregion Zagorje, Eur. Food Res. Technol., 2006, 222, 1-2, 1-7, https://doi.org/10.1007/s00217-005-0094-y . [all data]

Perestrelo, Fernandes, et al., 2006
Perestrelo, R.; Fernandes, A.; Albuquerque, F.F.; Marques, J.C.; Camara, J.S., Analytical characterization of the aroma of Tinta Negra Mole red wine: Identification of the main odorants compounds, Anal. Chim. Acta., 2006, 563, 1-2, 154-164, https://doi.org/10.1016/j.aca.2005.10.023 . [all data]

Culleré, Escudero, et al., 2004
Culleré, L.; Escudero, A.; Cacho, J.; Ferreira, V., Gas chromatography-olfactometry and chemical quantitative study of the aroma of six premium auality Spanish aged red wines, J. Agric. Food Chem., 2004, 52, 6, 1653-1660, https://doi.org/10.1021/jf0350820 . [all data]

Alves and Franco, 2003
Alves, G.L.; Franco, M.R.B., Headspace gas chromatography-mass spectrometry of volatile compounds in murici (Byrsonima crassifolia L. Rich), J. Chromatogr. A, 2003, 985, 1-2, 297-301, https://doi.org/10.1016/S0021-9673(02)01398-5 . [all data]

Lee and Noble, 2003
Lee, S.-J.; Noble, A.C., Characterization of odor-active compounds in Californian Chardonnay wines using GC-olfactometry and GC-mass spectrometry, J. Agric. Food Chem., 2003, 51, 27, 8036-8044, https://doi.org/10.1021/jf034747v . [all data]

López, Ortín, et al., 2003
López, R.; Ortín, N.; Pérez-Trujillo, J.P.; Cacho, J.; Ferreira, V., Impact odorants of different young white wines from the Canary islands, J. Agric. Food Chem., 2003, 51, 11, 3419-3425, https://doi.org/10.1021/jf026045w . [all data]

Wanakhachornkrai and Lertsiri, 2003
Wanakhachornkrai, P.; Lertsiri, S., Analytical, nutritional, and clinical methods. Comparison of determination method for volatile compounds in Thai soy sauce, Food Chem., 2003, 83, 4, 619-629, https://doi.org/10.1016/S0308-8146(03)00256-5 . [all data]

Ferreira, Ortín, et al., 2002
Ferreira, V.; Ortín, N.; Escudero, A.; López, R.; Cacho, J., Chemical characterization of the aroma of grenache Rosé wines: aroma extract dilution analysis, quantitative determination, and sensory reconstitution studies, J. Agric. Food Chem., 2002, 50, 14, 4048-4054, https://doi.org/10.1021/jf0115645 . [all data]

Hayata, Sakamoto, et al., 2002
Hayata, Y.; Sakamoto, T.; Kozuka, H.; Sakamoto, K.; Osajima, Y., Analysis of aromatic volatile compounds in 'Miyabi' melon (Cucumis melo L.) using the Porapak Q column, J. Jpn. Soc. Hortic. Sci., 2002, 71, 4, 517-525, https://doi.org/10.2503/jjshs.71.517 . [all data]

Osorio, Duque, et al., 2002
Osorio, C.; Duque, C.; Suarez, M.; Salamanca, L.E.; Uruena, F., Free, glycosidically bound, and phosphate bound flavor constituents of badea (Passiflora quadrangularis) fruit pulp, J. Sep. Sci., 2002, 25, 3, 147-154, https://doi.org/10.1002/1615-9314(20020201)25:3<147::AID-JSSC147>3.0.CO;2-G . [all data]

Umano, Hagi, et al., 2002
Umano, K.; Hagi, Y.; Shibamoto, T., Volatile chemicals identified in extracts from newly hybrid citrus, dekopon (Shiranuhi mandarin Suppl. J.), J. Agric. Food Chem., 2002, 50, 19, 5355-5359, https://doi.org/10.1021/jf0203951 . [all data]

Aznar, López, et al., 2001
Aznar, M.; López, R.; Cacho, J.F.; Ferreira, V., Identification and quantification of impact odorants of aged red wines from Rioja. GC-olfactometry, quantitative GC-MS, and odor evaluation of HPLC fractions, J. Agric. Food Chem., 2001, 49, 6, 2924-2929, https://doi.org/10.1021/jf001372u . [all data]

Ferreira, Aznar, et al., 2001
Ferreira, V.; Aznar, M.; López, R.; Cacho, J., Quantitative gas chromatography-olfactometry carried out at different dilutions of an extract. Differences in the odor profiles of four high-quality spanish aged red wines, J. Agric. Food Chem., 2001, 49, 10, 4818-4824, https://doi.org/10.1021/jf010283u . [all data]

Kotseridis and Baumes, 2000
Kotseridis, Y.; Baumes, R., Identification of impact odorants in Bordeaux red grape juice, in the commercial yeast used for its fermentation, and in the produced wine, J. Agric. Food Chem., 2000, 48, 2, 400-406, https://doi.org/10.1021/jf990565i . [all data]

Parada, Duque, et al., 2000
Parada, F.; Duque, C.; Fujimoto, Y., Free and bound volatile composition and characterization of some glucoconjugates as aroma precursors in Melón de olor fruit pulp (Sicana odorifera), J. Agric. Food Chem., 2000, 48, 12, 6200-6204, https://doi.org/10.1021/jf0007232 . [all data]

Lopez, Ferreira, et al., 1999
Lopez, R.; Ferreira, V.; Hernandez, P.; Cacho, J.F., Identification of impact odorants of young red wines made with Merlot, Cabernet Sauvignon and Grenache grape varieties: a comparative study, J. Sci. Food Agric., 1999, 79, 11, 1461-1467, https://doi.org/10.1002/(SICI)1097-0010(199908)79:11<1461::AID-JSFA388>3.0.CO;2-K . [all data]

Ong, Acree, et al., 1998
Ong, P.K.C.; Acree, T.E.; Lavin, E.H., Characterization of volatiles in rambutan fruit (Nephelium lappaceum L.), J. Agric. Food Chem., 1998, 46, 2, 611-615, https://doi.org/10.1021/jf970665t . [all data]

Parada and Duque, 1998
Parada, F.; Duque, C., Studies on the aroma of piñuela fruit pulp (Bromelia plumieri): Free and bound volatile composition and characterization of some glucoconjugates as aroma precursors, J. Hi. Res. Chromatogr., 1998, 21, 10, 577-581, https://doi.org/10.1002/(SICI)1521-4168(19981001)21:10<577::AID-JHRC577>3.0.CO;2-V . [all data]

Wada and Shibamoto, 1997
Wada, K.; Shibamoto, T., Isolation and identification of volatile compounds from a wine using solid phase extraction, gas chromatography, and gas chromatography/mass spectrometry, J. Agric. Food Chem., 1997, 45, 11, 4362-4366, https://doi.org/10.1021/jf970157j . [all data]

Kubota, Matsujage, et al., 1996
Kubota, K.; Matsujage, Y.; Sekiwa, Y.; Kobayashi, A., Identification of the characteristic volatile flavor compounds formed by cooking squid (Todarodes pacificus Steenstrup), Food Sci. Technol., 1996, 2, 3, 163-166. [all data]

Girard and Lau, 1995
Girard, B.; Lau, O.L., Effect of maturity and storage on quality and volatile production of 'Jonagold' apples, Food Res. Int., 1995, 28, 5, 465-471, https://doi.org/10.1016/0963-9969(96)81393-7 . [all data]

Miranda-López, Libbey, et al., 1992
Miranda-López, R.; Libbey, L.M.; Watson, B.T.; McDaniel, M.R., Research note. Identificatiohn of additional odor-active compounds in Pinot noir wines, Am. J. Enol. Vitic, 1992, 43, 1, 90-92. [all data]

Vernin, Metzger, et al., 1992
Vernin, G.; Metzger, J.; Boniface, C.; Murello, M.-H.; Siouffi, A.; Larice, J.-L.; Parkanyi, C., Kinetics and thermal degradation of the fructose-methionine Amadori intermediates. GC-MS/SPECMA data bank identification of volatile aroma compounds, Carbohyd. Res., 1992, 230, 1, 15-29, https://doi.org/10.1016/S0008-6215(00)90510-X . [all data]


Notes

Go To: Top, Normal alkane RI, polar column, temperature ramp, References