Acetic acid

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Van Den Dool and Kratz 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 DB-FFAPDB-FFAPFFAPFFAPHP-20M
Column length (m) 30.30.30.30.50.
Carrier gas HeHeHeHeHelium
Substrate      
Column diameter (mm) 0.250.250.250.250.20
Phase thickness (μm) 0.50.50.250.250.20
Tstart (C) 35.35.35.35.70.
Tend (C) 225.225.225.225.180.
Heat rate (K/min) 4.4.10.10.4.
Initial hold (min) 5.5.5.5.4.
Final hold (min) 30.30.25.25.15.
I 1449.1452.1445.1435.1402.
ReferenceJarunrattanasri, Theerakulkait, et al., 2007Jarunrattanasri, Theerakulkait, et al., 2007Lozano P.R., Drake M., et al., 2007Lozano P.R., Miracle E.R., et al., 2007Politeo, Jukic, et al., 2007
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-WaxHP-InnowaxDB-WaxFFAPDB-Wax
Column length (m) 30.60.30.30.60.
Carrier gas HeHeHe He
Substrate      
Column diameter (mm) 0.250.250.320.320.25
Phase thickness (μm) 0.50.250.50.250.25
Tstart (C) 40.50.40.40.40.
Tend (C) 250.220.240.240.265.
Heat rate (K/min) 4.4.7.6.7.
Initial hold (min) 5.4. 2. 
Final hold (min) 15.10.5.10.5.
I 1452.1427.1460.1436.1461.
ReferencePozo-Bayon M.A., Ruiz-Rodriguez A., et al., 2007Quijano, Linares, et al., 2007Ruiz Perez-Cacho, Mahattanatawee, et al., 2007Steinhaus and Schieberle, 2007Gurbuz O., Rouseff J.M., et al., 2006
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-WaxCP-Wax 52CBDB-WaxDB-WaxLM-120
Column length (m) 30.50.30.30.50.
Carrier gas He He  
Substrate      
Column diameter (mm) 0.320.320.250.320.25
Phase thickness (μm) 0.5 0.250.50.5
Tstart (C) 40.60.50.40.50.
Tend (C) 265.220.220.200.240.
Heat rate (K/min) 7.4.4.5.3.
Initial hold (min)  5.4.3. 
Final hold (min) 5.30.20.8.30.
I 1452.1449.1429.1460.1464.
ReferenceGurbuz O., Rouseff J.M., et al., 2006Mahadevan and Farmer, 2006Osorio, Alarcon, et al., 2006Petka, Ferreira, et al., 2006Pinto, Guedes, et al., 2006
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-WaxCP-Wax 52CBOV-351DB-WaxDB-Wax
Column length (m) 30.60.50.30.30.
Carrier gas He He  
Substrate      
Column diameter (mm) 0.250.250.320.250.25
Phase thickness (μm) 0.250.250.20.250.25
Tstart (C) 40.35.60.40.40.
Tend (C) 200.203.220.200.200.
Heat rate (K/min) 10.3.5.10.10.
Initial hold (min) 3.4. 3.3.
Final hold (min) 20.  20.20.
I 1479.1463.1434.1441.1424.
ReferenceWhetstine M.E.C., Drake M.A., et al., 2006Alasalvar, Taylor, et al., 2005Bonvehí, 2005Carunchia Whetstine, Croissant, et al., 2005Carunchia Whetstine, Croissant, et al., 2005
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase StabilwaxStabilwaxDB-WaxInnowaxDB-Wax
Column length (m) 60.30.30.50.60.
Carrier gas HeN2HeHeHe
Substrate      
Column diameter (mm) 0.250.320.250.250.32
Phase thickness (μm) 0.251.0.250.251.
Tstart (C) 40.40.40.50.45.
Tend (C) 240.230.250.220.250.
Heat rate (K/min) 3.4.3.2.5.
Initial hold (min) 5.2. 3.1.
Final hold (min) 10.10.20.20.12.
I 1453.1467.1433.1486.1463.
ReferenceCros, Lignot, et al., 2005Fang and Qian, 2005Gancel, Ollitrault, et al., 2005Lee, Lee, et al., 2005Malliaa, Fernandez-Garcia, et al., 2005
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-WaxInnowaxSupelcowax-10Carbowax 20MZB-Wax
Column length (m) 60.30.30.60.30.
Carrier gas HeHeHeHeHe
Substrate      
Column diameter (mm) 0.320.250.250.250.32
Phase thickness (μm) 1.0.250.250.250.25
Tstart (C) 45.40.60.45.40.
Tend (C) 250.200.240.250.250.
Heat rate (K/min) 5.5.3.2.5.
Initial hold (min) 1.5.5.0.172.
Final hold (min) 12.2.10. 5.
I 1480.1465.1443.1436.1464.
ReferenceMalliaa, Fernandez-Garcia, et al., 2005Pena, Barciela, et al., 2005Riu-Aumatell, Lopez-Tamames, et al., 2005Verzera, Campisi, et al., 2005Wu, Zorn, et al., 2005
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-WaxDB-WaxZB-WaxDB-WaxDB-Wax
Column length (m) 30.30.30.30.30.
Carrier gas   HeHeHe
Substrate      
Column diameter (mm) 0.250.250.250.250.25
Phase thickness (μm) 0.250.250.150.50.25
Tstart (C) 40.40.35.40.40.
Tend (C) 200.200.220.230.240.
Heat rate (K/min) 10.10.1.85.6.
Initial hold (min) 5.5.10.2.10.
Final hold (min) 15.15.10.10.25.
I 1448.1448.1434.1460.1429.
ReferenceAvsar, Karagul-Yuceer, et al., 2004Avsar, Karagul-Yuceer, et al., 2004Ledauphin, Saint-Clair, et al., 2004Mahajan, Goddik, et al., 2004Varming, Petersen, et al., 2004
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-WaxDB-WaxStabilwaxDB-WaxAT-Wax
Column length (m) 30.30.60.60.60.
Carrier gas  HeHeH2He
Substrate      
Column diameter (mm) 0.320.250.250.320.32
Phase thickness (μm) 0.50.250.250.250.25
Tstart (C) 40.40.40.40.65.
Tend (C) 245.250.240.245.250.
Heat rate (K/min) 2.3.3.1.52.
Initial hold (min) 3. 5. 10.
Final hold (min) 20.20.10.20.60.
I 1444.1418.1453.1433.1442.
ReferenceAubert, Günata, et al., 2003Brat, Rega, et al., 2003Cros, Vandanjon, et al., 2003Gancel, Ollitrault, et al., 2003Pino, Almora, et al., 2003
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-WaxDB-WaxDB-FFAPDB-FFAPAT-Wax
Column length (m) 30.60.30.30.60.
Carrier gas  He  He
Substrate      
Column diameter (mm) 0.320.320.250.250.32
Phase thickness (μm) 0.50.50.250.250.25
Tstart (C) 40.67.35.35.65.
Tend (C) 240.235.200.200.250.
Heat rate (K/min) 7.2.710.10.2.
Initial hold (min)   5.5.10.
Final hold (min) 5.30.30.30.60.
I 1449.1488.1419.1434.1443.
ReferenceValim, Rouseff, et al., 2003Claudela, Dirningera, et al., 2002Karagül-Yüceer, Cadwallader, et al., 2002Karagül-Yüceer, Cadwallader, et al., 2002Pino, Marbot, et al., 2002
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-WaxAT-WaxDB-WaxCP-Wax 52CBDB-FFAP
Column length (m) 30.60.60.60.30.
Carrier gas  HeHeHeH2
Substrate      
Column diameter (mm) 0.250.320.250.250.32
Phase thickness (μm) 0.250.250.250.250.25
Tstart (C) 35.65.50.45.40.
Tend (C) 200.250.230.250.240.
Heat rate (K/min) 10.2.2.2.5.
Initial hold (min) 5.10. 0.172.
Final hold (min) 30.60.60.  
I 1431.1443.1452.1436.1426.
ReferenceKaragül-Yüceer, Drake, et al., 2001Pino, Marbot, et al., 2001Shimoda, Yoshimura, et al., 2001Verzera, Campisi, et al., 2001Charles, Martin, et al., 2000
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase Supelcowax-10DB-WaxDB-WaxDB-WaxCP-Wax 52CB
Column length (m) 60.30.30.15.50.
Carrier gas HeH2H2He 
Substrate      
Column diameter (mm) 0.250.320.320.530.32
Phase thickness (μm) 0.251.1.1. 
Tstart (C) 35.40.40.40.60.
Tend (C) 195.210.210.220.220.
Heat rate (K/min) 2.3.3.5.4.
Initial hold (min)    3.5.
Final hold (min) 90.  30.30.
I 1472.1440.1442.1484.1450.
ReferenceChung, 2000Moio, Piombino, et al., 2000Moio, Piombino, et al., 2000Peng, 2000Chevance and Farmer, 1999
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase Supelcowax-10FFAPDB-WaxDB-WaxDB-Wax
Column length (m) 60.60.60.30.30.
Carrier gas He  HeH2
Substrate      
Column diameter (mm) 0.250.250.250.320.32
Phase thickness (μm) 0.250.50.250.251.
Tstart (C) 35.50.40.40.40.
Tend (C) 195.230.200.200.210.
Heat rate (K/min) 2.5.3.6.3.
Initial hold (min) 5.3.5.5. 
Final hold (min) 90.15.60.30. 
I 1472.1468.1447.1434.1440.
ReferenceChung, 1999Stephan and Steinhart, 1999Cha, Kim, et al., 1998Cha, Kim, et al., 1998Moio and Addeo, 1998
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-WaxDB-WaxFFAPDB-WaxDB-Wax
Column length (m) 30.30.30.30.60.
Carrier gas H2H2HeHeHe
Substrate      
Column diameter (mm) 0.320.320.250.250.53
Phase thickness (μm) 1.1.0.250.251.
Tstart (C) 40.40.20.20.20.
Tend (C) 210.210.200.200.200.
Heat rate (K/min) 3.3.4.4.4.
Initial hold (min)   1.5.5.
Final hold (min)   1.10.10.
I 1442.1442.1498.1442.1460.
ReferenceMoio and Addeo, 1998Moio and Addeo, 1998Ott, Fay, et al., 1997Ott, Fay, et al., 1997Ott, Fay, et al., 1997
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) 60.60.60.60.60.
Carrier gas HeHeHeHeHe
Substrate      
Column diameter (mm) 0.530.530.250.250.25
Phase thickness (μm) 1.1.0.250.250.25
Tstart (C) 20.20.50.50.50.
Tend (C) 200.200.230.230.230.
Heat rate (K/min) 4.4.3.2.3.
Initial hold (min) 5.5.   
Final hold (min) 10.10. 60. 
I 1462.1462.1435.1445.1451.
ReferenceOtt, Fay, et al., 1997Ott, Fay, et al., 1997Shimoda, Peralta, et al., 1996Shimoda, Shiratsuchi, et al., 1996Shimoda, Wu, et al., 1996
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-WaxDB-WaxDB-WaxDB-WaxHP-20M
Column length (m) 60.60.60.60.50.
Carrier gas  HeHeHeHe
Substrate      
Column diameter (mm) 0.250.250.250.250.25
Phase thickness (μm) 0.250.250.25  
Tstart (C) 50.50.50.40.60.
Tend (C) 230.230.230.200.190.
Heat rate (K/min) 2.2.2.3.3.
Initial hold (min)    5. 
Final hold (min)   60.  
I 1435.1435.1459.1459.1404.
ReferenceShimoda, Shigematsu, et al., 1995Shimoda, Shigematsu, et al., 1995, 2Shiratsuchi, Shimoda, et al., 1994Sumitani, Suekane, et al., 1994Chung, Eiserich, et al., 1993
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase HP-FFAPDB-WaxDB-WaxDB-WaxDB-Wax
Column length (m) 50.60.30.30.30.
Carrier gas He HeHeHe
Substrate      
Column diameter (mm) 0.250.250.250.250.25
Phase thickness (μm)  0.25 0.250.25
Tstart (C) 60.50.40.50.50.
Tend (C) 210.230.200.220.240.
Heat rate (K/min) 3.2.2.4.4.
Initial hold (min)  4.10.3.3.
Final hold (min)  30. 20. 
I 1471.1442.1484.1424.1415.
ReferenceChung, Eiserich, et al., 1993Shiratsuchi, Shimoda, et al., 1993Umano, Hagi, et al., 1992Humpf and Schreier, 1991Krammer, Winterhalter, et al., 1991
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase CP-Wax 58CBCarbowax 20MCarbowax 20MDB-WaxDB-Wax
Column length (m) 30.25.25.30.30.
Carrier gas He  HeHe
Substrate      
Column diameter (mm) 0.250.310.310.2590.259
Phase thickness (μm) 0.22  0.250.25
Tstart (C) 40.50.50.50.50.
Tend (C) 220.200.200.240.240.
Heat rate (K/min) 3.2.2.4.4.
Initial hold (min)    3.3.
Final hold (min)      
I 1431.1415.1425.1415.1418.
ReferencePabst, Barron, et al., 1991Suárez and Duque, 1991Suárez and Duque, 1991Suárez, Duque, et al., 1991Suárez, Duque, et al., 1991
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 HeHeHeHeHe
Substrate      
Column diameter (mm) 0.2590.2590.320.250.25
Phase thickness (μm) 0.250.250.250.250.25
Tstart (C) 50.50.40.50.50.
Tend (C) 240.240.220.250.250.
Heat rate (K/min) 4.4.5.4.4.
Initial hold (min) 3.3.3.3.3.
Final hold (min)      
I 1415.1419.1415.1415.1419.
ReferenceSuárez, Duque, et al., 1991Suárez, Duque, et al., 1991Frohlich and Schreier, 1990Fröhlich, Duque, et al., 1989Fröhlich, Duque, et al., 1989
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillary
Active phase Carbowax 20MCarbowax 20M
Column length (m) 30.50.
Carrier gas HeHe
Substrate   
Column diameter (mm) 0.250.32
Phase thickness (μm) 0.25 
Tstart (C) 40.50.
Tend (C) 240.200.
Heat rate (K/min) 4.2.
Initial hold (min) 3.5.
Final hold (min)  40.
I 1403.1455.
ReferenceSchwab, Mahr, et al., 1989Chen, Kuo, et al., 1986
Comment MSDC-RI MSDC-RI

References

Go To: Top, Van Den Dool and Kratz 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.

Jarunrattanasri, Theerakulkait, et al., 2007
Jarunrattanasri, A.; Theerakulkait, C.; Cadwallader, K.R., Aroma Components of Acid-Hydrolyzed Vegetable Protein Made by Partial Hydrolysis of Rice Bran Protein, J. Agric. Food Chem., 2007, 55, 8, 3044-3050, https://doi.org/10.1021/jf0631474 . [all data]

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Gurbuz O.; Rouseff J.M.; Rouseff R.L., Comparison of aroma volatiles in commercial Merlot and Cabernet Sauvignon wines using gas chromatography - Olfactometry and gas chromatography - Mass spectrometry, J. Agric. Food Chem., 2006, 54, 11, 3990-3996, https://doi.org/10.1021/jf053278p . [all data]

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Notes

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