Benzoic acid, methyl ester

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Normal alkane RI, non-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-5 MSHP-5 MSVF-5 MSVF-5 MSDB-5 MS
Column length (m) 30.30.60.60.30.
Carrier gas HeliumHeliumHeliumHeliumHelium
Substrate      
Column diameter (mm) 0.250.250.320.320.25
Phase thickness (μm) 0.250.250.250.250.25
Tstart (C) 50.50.30.30.40.
Tend (C) 320.180.260.260.250.
Heat rate (K/min) 5.2.2.2.4.
Initial hold (min) 5.   2.
Final hold (min)   28.28.2.
I 1093.1088.1096.1096.1096.
ReferenceNawrath, Mgode, et al., 2012Hammami, Kamoun, et al., 2011Leffingwell and Alford, 2011Leffingwell and Alford, 2011Su, Wang, et al., 2009
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase HP-5 MSRTX-5 MSDB-5HP-5HP-5
Column length (m) 30.30.30.25.25.
Carrier gas HeliumHeHe  
Substrate      
Column diameter (mm) 0.250.250.250.20.2
Phase thickness (μm) 0.250.250.250.320.32
Tstart (C) 50.60.60.40.40.
Tend (C) 230.200.320.250.250.
Heat rate (K/min) 4.2.10.5.5.
Initial hold (min) 4.2. 1.1.
Final hold (min) 10.10.4.  
I 1092.1095.1094.1081.1091.
ReferenceForero, Quijano, et al., 2008Edris, Chizzola, et al., 2007Smelcerovic, Spiteller, et al., 2007Tapia, Perich, et al., 2007Tapia, Perich, et al., 2007
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase Elite-5MSHP-5HP-1HP-1HP-1
Column length (m) 30.60.50.50.50.
Carrier gas HeHeHeHeHe
Substrate      
Column diameter (mm) 0.320.250.20.20.2
Phase thickness (μm) 0.50.250.330.330.33
Tstart (C) 40.60.60.60.60.
Tend (C) 280.250.250.250.250.
Heat rate (K/min) 4.3.2.2.2.
Initial hold (min) 5. 4.4.4.
Final hold (min) 10. 30.30.30.
I 1094.1094.1063.1066.1067.
ReferenceTava, Pecetti, et al., 2007Bertrand, Comte, et al., 2006Castel, Fernandez, et al., 2006Castel, Fernandez, et al., 2006Castel, Fernandez, et al., 2006
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase HP-1HP-1Ultra-2DB-1BPX-5
Column length (m) 50.50.25.60.25.
Carrier gas HeHeH2NitrogenHelium
Substrate      
Column diameter (mm) 0.20.20.250.250.20
Phase thickness (μm) 0.50.330.33 0.13
Tstart (C) 60.60.40.40.50.
Tend (C) 250.250.280.200.230.
Heat rate (K/min) 2.2.3.2.3.
Initial hold (min)  4.2.1.2.
Final hold (min) 120.30.10.9. 
I 1082.1082.1094.1067.1130.
ReferenceCastel, Fernandez, et al., 2006, 2Castel, Fernandez, et al., 2006, 2Ceva-Antunes, Bizzo, et al., 2006Chen, Sheu, et al., 2006Fons, Rapior, et al., 2006
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-5DB-5DB-5HP-5MSHP-5
Column length (m) 30.30.30.30.30.
Carrier gas HydrogenHeHeHeHe
Substrate      
Column diameter (mm) 0.250.250.250.250.25
Phase thickness (μm) 0.250.250.250.250.25
Tstart (C) 70.60.60.60.60.
Tend (C) 280.200.200.280.250.
Heat rate (K/min) 4.2.2.3.10.
Initial hold (min) 4.  5.2.
Final hold (min)  60.60. 10.
I 1090.1097.1097.1093.1098.
ReferencePino, Marbot, et al., 2006Rout, Naik, et al., 2006Rout, Naik, et al., 2006Setzer, Noletto, et al., 2006Wang, Yang, et al., 2006
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase BPX5ZB-5ZB-5HP-5SPB-5
Column length (m) 25.60.60.60.30.
Carrier gas HeliumHeHeHeHe
Substrate      
Column diameter (mm) 0.220.250.250.320.25
Phase thickness (μm) 0.250.250.250.250.25
Tstart (C) 50.40.40.30.60.
Tend (C) 320.250.250.260.250.
Heat rate (K/min) 5.6.6.2.4.
Initial hold (min) 5.7.7.2.2.
Final hold (min)  1.1.28.20.
I 1104.1107.1107.1094.61091.
ReferenceDickschat, Bode, et al., 2005Dötterl and Jürgens, 2005Dötterl, Wolfe, et al., 2005Leffingwell and Alford, 2005Pino, Marbot, et al., 2005
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase CP Sil 5 CBBP-1SPB-1HP-5HP-5
Column length (m) 30.30.50.30.30.
Carrier gas HeN2HeHeliumHelium
Substrate      
Column diameter (mm) 0.250.320.20.320.32
Phase thickness (μm) 0.250.250.330.250.25
Tstart (C) 40.60.50.40.40.
Tend (C) 220.220.220.250.250.
Heat rate (K/min) 4.5.4.5.5.
Initial hold (min) 1. 3.2.2.
Final hold (min)  15.30.5.5.
I 1091.1071.1066.1073.1073.
ReferenceRohloff and Bones, 2005Srivastava, Srivastava, et al., 2005Wong and Tan, 2005N/AN/A
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-5ZB-5DB-5DB-5DB-1
Column length (m) 30.60.30.30.30.
Carrier gas HeHeHeHeN2
Substrate      
Column diameter (mm) 0.320.250.250.2490.25
Phase thickness (μm) 0.250.250.250.250.25
Tstart (C) 40.40.60.60.50.
Tend (C) 250.260.240.300.200.
Heat rate (K/min) 5.6.3.3.5.
Initial hold (min) 2.4.6   
Final hold (min) 10.1.   
I 1073.1105.1090.1091.1062.
ReferenceWu, Krings, et al., 2005Jürgens and Dötterl, 2004Tellez, Khan, et al., 2004Woerdenbag, Windono, et al., 2004Fekam Boyom, Ngouana, et al., 2003
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase HP-1SPB-1OV-101SPB-5DB-5
Column length (m) 50.30.50.30.30.
Carrier gas HeHeHeHeliumHe
Substrate      
Column diameter (mm) 0.20.250.20.250.25
Phase thickness (μm) 0.50.250.50.250.25
Tstart (C) 60.40.50.60.60.
Tend (C) 220.200.250.250.240.
Heat rate (K/min) 2.3.2.4.3.
Initial hold (min)  10. 2. 
Final hold (min) 45.  20. 
I 1071.1064.1068.1091.1093.
ReferenceFernandez, Lizzani-Cuvelier, et al., 2003Vichi, Castellote, et al., 2003Orav, Kailas, et al., 2002Pino, Marbot, et al., 2002Tellez, Khan, et al., 2002
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase HP-5DB-1DB-1OV-1DB-1
Column length (m) 30.30.60.50.30.
Carrier gas H2HeHeN2He
Substrate      
Column diameter (mm) 0.250.250.250.270.25
Phase thickness (μm) 0.25 0.250.21.0
Tstart (C) 40.70.50.80.40.
Tend (C) 280.300.250.240.250.
Heat rate (K/min) 3.3.3.53.3.
Initial hold (min) 10.5.5.  
Final hold (min) 10.   30.
I 1095.1062.1067.1070.1070.
ReferenceBicalho, Pereira, et al., 2000Guy and Vernin, 1996Stashenko, Torres, et al., 1995Ramanoelina, Viano, et al., 1994Peppard, 1992
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-1Ultra-1Ultra-1DB-1OV-101
Column length (m) 30.25.25.60.45.
Carrier gas HeHeHe He
Substrate      
Column diameter (mm) 0.250.320.320.320.25
Phase thickness (μm) 1.00.250.25  
Tstart (C) 40.80.80.50.100.
Tend (C) 250.260.260.250.180.
Heat rate (K/min) 3.3.3.4.3.
Initial hold (min)    0.1 
Final hold (min) 30.  5. 
I 1078.1064.1066.1066.1106.
ReferencePeppard, 1992Okumura, 1991Okumura, 1991Binder and Flath, 1989Wu, Zhao, et al., 1987
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryPackedCapillaryCapillary
Active phase DB-1DB-1SE-30DB-1OV-101
Column length (m) 50.50.1.860.30.
Carrier gas   Helium H2
Substrate   Chromosorb W (80-100 mesh)  
Column diameter (mm) 0.320.32 0.320.3
Phase thickness (μm)      
Tstart (C) 0.50.50.50.80.
Tend (C) 250.250.250.250.275.
Heat rate (K/min) 3.3.5.4.2.
Initial hold (min)   0.0.17.
Final hold (min)   0.5. 
I 1065.1065.1090.1064.1072.
ReferenceHabu, Flath, et al., 1985Habu, Flath, et al., 1985Khudobina and Zenkevich, 1984Flath, Mon, et al., 1983Pinkston, Spiteller, et al., 1981
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillary
Active phase SE-30OV-101
Column length (m)  25.
Carrier gas HeliumHe
Substrate   
Column diameter (mm)   
Phase thickness (μm)   
Tstart (C) 70.75.
Tend (C) 170.280.
Heat rate (K/min) 2.2.
Initial hold (min)  7.
Final hold (min)   
I 1075.1072.
ReferenceAlves and Jennings, 1979Spiteller and Spiteller, 1979
Comment MSDC-RI MSDC-RI

References

Go To: Top, Normal alkane RI, non-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.

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Peppard, T.L., Volatile flavor constituents of Monstera deliciosa, J. Agric. Food Chem., 1992, 40, 2, 257-262, https://doi.org/10.1021/jf00014a018 . [all data]

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Binder and Flath, 1989
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Habu, Flath, et al., 1985
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Notes

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