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Octanoic acid, ethyl ester

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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 InnowaxVF-Wax MSCP-WaxDB-WaxCP-Wax 57 CB
Column length (m) 30.60.60.30.50.
Carrier gas HeliumHeliumHeliumHeliumHydrogen
Substrate      
Column diameter (mm) 0.250.250.250.250.25
Phase thickness (mum) 0.250.250.250.250.20
Tstart (C) 40.60.50.40.35.
Tend (C) 250.220.230.230.150.
Heat rate (K/min) 8.3.6.3.4.
Initial hold (min) 1.5.2.2.5.
Final hold (min) 2.7525.15.5.17.5
I 1434.1434.1405.1435.1432.
ReferenceSiristova, Prinosilova, et al., 2012Duarte, Dias, et al., 2010Mo, Fan, et al., 2009Zhao, Xu, et al., 2009Callejon, Morales, et al., 2008
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-WaxInnowaxSupelcowax-10DB-WaxDB-Wax
Column length (m) 30.30.10.30.30.
Carrier gas Helium HeHeHe
Substrate      
Column diameter (mm) 0.250.250.10.250.32
Phase thickness (mum) 0.250.250.10.250.25
Tstart (C) 40.40.40.40.40.
Tend (C) 180.200.240.230.230.
Heat rate (K/min) 3.510.50.4.4.
Initial hold (min) 10.5.1.52.2.
Final hold (min) 30.15.2.5.15.
I 1446.1436.1431.1409.1409.
ReferenceCaldeira, de Sousa, et al., 2008Kaypak and Avsar, 2008Chin, Nazimah, et al., 2007Xu, Fan, et al., 2007Fan and Qian, 2006
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-WaxHP-InnowaxDB-Wax EtrDB-WaxStabilwax DA
Column length (m) 30.30.30.30.60.
Carrier gas N2HeHeN2 
Substrate      
Column diameter (mm) 0.320.250.250.320.25
Phase thickness (mum) 0.250.50.250.250.5
Tstart (C) 40.40.40.40.40.
Tend (C) 230.200.220.230.180.
Heat rate (K/min) 6.2.2.4.5.
Initial hold (min) 2.3.1.2.5.
Final hold (min) 15.15.10.5. 
I 1434.1418.1456.1411.1453.
ReferenceFan and Qian, 2006, 2Komes, Ulrich, et al., 2006Perestrelo, Fernandes, et al., 2006Fan and Qian, 2005Nogueira, Lubachevsky, et al., 2005
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-WaxDB-WaxDB-WaxPEG-20MDB-Wax
Column length (m) 60.30.60.50.30.
Carrier gas NitrogenH2He H2
Substrate      
Column diameter (mm) 0.320.320.250.200.25
Phase thickness (mum) 0.500.50.250.200.5
Tstart (C) 35.40.40.40.50.
Tend (C) 235.200.220.180.200.
Heat rate (K/min) 2.4.3.3.3.
Initial hold (min) 4.5.5.5.10.
Final hold (min) 30.  30.10.
I 1454.1435.1446.1437.1449.
ReferenceQian and Wang, 2005Culleré, Escudero, et al., 2004López, Ezpeleta, et al., 2004Narain, Almeida, et al., 2004Alves and Franco, 2003
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-WaxDB-WaxDB-WaxCarbowax 20MDB-Wax
Column length (m) 30.30.60.50.30.
Carrier gas HeH2HeliumN2H2
Substrate      
Column diameter (mm) 0.250.320.250.250.32
Phase thickness (mum) 0.250.5 0.250.5
Tstart (C) 40.40.70.90.40.
Tend (C) 185.200.210.220.200.
Heat rate (K/min) 4.4.2.3.4.
Initial hold (min) 4.5.  5.
Final hold (min) 20. 60.  
I 1427.1431.1438.1438.1444.
ReferenceLee and Noble, 2003López, Ortín, et al., 2003Mookdasanit, Tamura, et al., 2003Priestap, van Baren, et al., 2003Ferreira, Ortín, et al., 2002
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase HP-FFAPDB-WaxDB-WaxDB-FFAPDB-Wax
Column length (m) 25.30.30.30.60.
Carrier gas  H2H2HeHe
Substrate      
Column diameter (mm) 0.320.320.320.320.25
Phase thickness (mum) 0.520.50.50.250.25
Tstart (C) 60.40.40.40.40.
Tend (C) 240.200.200.195.200.
Heat rate (K/min) 5.4.4.5.2.
Initial hold (min) 1.5.5.5. 
Final hold (min) 5.60.60.40. 
I 1422.1446.1446.1404.1421.
ReferenceQian and Reineccius, 2002Aznar, López, et al., 2001Ferreira, Aznar, et al., 2001Suriyaphan, Drake, et al., 2001Wei, Mura, et al., 2001
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-WaxDB-WaxDB-WaxSupelcowax-10DB-Wax
Column length (m) 30.30.30.60.30.
Carrier gas HeHeHeHeH2
Substrate      
Column diameter (mm) 0.320.20.20.250.32
Phase thickness (mum) 0.25  0.250.5
Tstart (C) 50.50.50.60.60.
Tend (C) 210.180.180.280.245.
Heat rate (K/min) 2.3.3.4.3.
Initial hold (min) 2.8.8. 3.
Final hold (min)     20.
I 1461.1442.1449.1436.1436.
ReferenceEbeler, Terrien, et al., 2000Franco and Shibamoto, 2000Franco and Shibamoto, 2000Korány, Mednyánszky, et al., 2000Kotseridis and Baumes, 2000
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-WaxCP-Wax 52CBCarbowax 20MSupelcowax-10Carbowax 20M
Column length (m) 60.50.60.60.60.
Carrier gas NitrogenH2HeH2He
Substrate      
Column diameter (mm) 0.250.320.320.320.32
Phase thickness (mum)  0.220.50.50.5
Tstart (C) 40.60.40.35.40.
Tend (C) 200.190.190.250.190.
Heat rate (K/min) 2.2.2.5.2.
Initial hold (min) 10.4.5.5.5.
Final hold (min)  21. 20. 
I 1441.1423.1439.1451.1439.
ReferenceTamura, Boonbumrung, et al., 2000Hwan and Chou, 1999Lopez, Ferreira, et al., 1999Campeanu, Burcea, et al., 1998Ferreira, Ardanuy, et al., 1998
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase Carbowax 20MCarbowax 20MDB-WaxDB-WaxDB-Wax
Column length (m) 60.60.30.30.60.
Carrier gas HeHeHeHeHe
Substrate      
Column diameter (mm) 0.320.320.250.250.25
Phase thickness (mum) 0.50.50.250.25 
Tstart (C) 40.40.50.50.50.
Tend (C) 190.190.240.240.200.
Heat rate (K/min) 2.2.4.4.3.
Initial hold (min) 5.5.3.3. 
Final hold (min)   10.10.40.
I 1439.1439.1431.1431.1443.
ReferenceFerreira, Ardanuy, et al., 1998Ferreira, Lopez, 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 DB-WaxCP-Wax 52CBSP-1000DB-WaxDB-Wax
Column length (m) 60.50.25.60.60.
Carrier gas HeH2N2HeHe
Substrate      
Column diameter (mm) 0.250.320.20.320.32
Phase thickness (mum) 0.250.220.430.250.25
Tstart (C) 50.50.60.30.30.
Tend (C) 230.200.190.180.180.
Heat rate (K/min) 2.2.4.2.2.
Initial hold (min) 4.5. 4.4.
Final hold (min)   30.  
I 1429.1430.21441.1426.1426.
ReferenceShimoda, Shiratsuchi, et al., 1993Chyau, Chen, et al., 1992De Llano D.G., Ramos M., et al., 1990Takeoka and Butter, 1989Takeoka and Butter, 1989
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase Carbowax 20MCarbowax 20MDB-WaxDB-WaxCarbowax 20M
Column length (m) 50.50.60.60.50.
Carrier gas N2N2H2H2N2
Substrate      
Column diameter (mm) 0.220.220.250.250.22
Phase thickness (mum)   0.250.25 
Tstart (C) 80.80.30.30.80.
Tend (C) 200.200.180.180.200.
Heat rate (K/min) 3.3.2.2.3.
Initial hold (min)   2.2. 
Final hold (min)      
I 1425.1429.1434.1434.1425.
ReferenceMihara, Tateba, et al., 1988Mihara, Tateba, et al., 1988Takeoka, Flath, et al., 1988Takeoka, Flath, et al., 1988Mihara, Tateba, et al., 1987
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillary
Active phase Carbowax 20MBP-20
Column length (m) 50.25.
Carrier gas N2 
Substrate   
Column diameter (mm) 0.220.2
Phase thickness (mum)   
Tstart (C) 80.70.
Tend (C) 200.180.
Heat rate (K/min) 3.3.
Initial hold (min)  5.
Final hold (min)   
I 1429.1457.
ReferenceMihara, Tateba, et al., 1987MacLeod and Snyder, 1985
Comment 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.

Siristova, Prinosilova, et al., 2012
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Xu, Fan, et al., 2007
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Fan and Qian, 2006
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Fan and Qian, 2006, 2
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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]

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Ebeler, Terrien, et al., 2000
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Franco and Shibamoto, 2000
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Hwan and Chou, 1999
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Lopez, Ferreira, et al., 1999
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Campeanu, Burcea, et al., 1998
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Ferreira, Ardanuy, et al., 1998
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Ferreira, Lopez, et al., 1998
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Parada and Duque, 1998
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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]

Shimoda, Shiratsuchi, et al., 1993
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Notes

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