Phenylethyl Alcohol

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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 MSPTE-5HP-5 MSOptima-5 MSHP-5 MS
Column length (m) 30.30.30.30.30.
Carrier gas HeliumHeliumHeliumHeliumHelium
Substrate      
Column diameter (mm) 0.250.250.250.250.25
Phase thickness (μm) 0.250.250.250.250.25
Tstart (C) 45.80.50.35.50.
Tend (C) 280.300.250.250.320.
Heat rate (K/min) 15.7.5.10.5.
Initial hold (min)  3.0.53.5.
Final hold (min)  5.0.55. 
I 1120.1114.1112.1115.1111.
ReferenceWanakhachornkrai and Lertsiri, 9999Fabri, Coimbra, et al., 2012Fanaro, Duarte, et al., 2012Goeminne, Vandendriessche, et al., 2012Nawrath, Mgode, et al., 2012
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase HP-5 MSVF-5 MSVF-5 MSHP-5 MSHP-5 MS
Column length (m) 30.60.60.30.30.
Carrier gas HeliumHeliumHeliumHeliumHelium
Substrate      
Column diameter (mm) 0.250.320.320.250.25
Phase thickness (μm) 0.250.250.250.250.25
Tstart (C) 50.30.30.40.70.
Tend (C) 320.260.260.260.200.
Heat rate (K/min) 5.2.2.4.3.
Initial hold (min) 5.   2.
Final hold (min)  28.28.5.18.
I 1113.1114.1116.1120.1116.
ReferenceNawrath, Mgode, et al., 2012Leffingwell and Alford, 2011Leffingwell and Alford, 2011Miyazawa, Marumoto, et al., 2011Jerkovic, Hegic, et al., 2010
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase HP-5 MSHP-5 MSHP-5 MSHP-5 MSHP-5 MS
Column length (m) 30.30.30.30.30.
Carrier gas HeliumHeliumHeliumHeliumHelium
Substrate      
Column diameter (mm) 0.250.250.320.250.25
Phase thickness (μm) 0.250.250.250.250.25
Tstart (C) 70.70.50.70.35.
Tend (C) 200.200.240.290.195.
Heat rate (K/min) 3.3.4.5.2.
Initial hold (min) 2.2.2. 5.
Final hold (min) 18.18.10.10.30.
I 1116.1116.1117.1117.1108.
ReferenceJerkovic and Marijanovic, 2010Jerkovic, Tuberso, et al., 2010Pino, Marquez, et al., 2010Radulovic, Blagojevic, et al., 2010Kim and Chung, 2009
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase SE-54HP-5 MSMega 5 MSDB-1 MSHP-1
Column length (m) 30.30.60.30.50.
Carrier gas  HeliumHeliumHeliumHelium
Substrate      
Column diameter (mm) 0.320.250.250.250.20
Phase thickness (μm) 0.250.250.250.250.33
Tstart (C) 0.70.40.40.60.
Tend (C) 200.290.240.250.250.
Heat rate (K/min) 6.5.3.6.2.
Initial hold (min) 2. 2.1. 
Final hold (min)  10. 4.20.
I 1117.1118.1118.1082.1083.
ReferenceLaselan, Buettner, et al., 2009Radulovic, Blagojevic, et al., 2009Romeo, Verzera, et al., 2009Seo, Kim, et al., 2009Breme, Langle, et al., 2008
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase HP-1DB-1DB-1RTX-5RTX-5 MS
Column length (m) 50.30.30.60.30.
Carrier gas HeliumHeHe He
Substrate      
Column diameter (mm) 0.200.25 0.320.25
Phase thickness (μm) 0.330.250.251.0.25
Tstart (C) 60.30.50.40.60.
Tend (C) 250.210.220.205.200.
Heat rate (K/min) 2.5.6.4.2.
Initial hold (min)   2.5.2.
Final hold (min) 20. 20.5.10.
I 1092.1104.1084.1123.1117.
ReferenceBreme, Langle, et al., 2008Kumazawa, Itobe, et al., 2008Audino, Alzogaray, et al., 2007Berdague, Tournayre, et al., 2007Edris, Chizzola, et al., 2007
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase ZP-5HP-5 MSHP-5 MSDB-5RTX-5
Column length (m) 60.30.30.30.10.
Carrier gas HeHeliumHeliumHeHe
Substrate      
Column diameter (mm) 0.250.250.250.250.18
Phase thickness (μm) 0.250.250.250.250.2
Tstart (C) 40.60.60.60.40.
Tend (C) 260.220.220.240.275.
Heat rate (K/min) 6.6.6.2.50.
Initial hold (min) 7.   0.5
Final hold (min) 1.   0.5
I 1123.1075.1110.1109.1132.
ReferenceFüssel, Dötterl, et al., 2007Loghmani-Khouzani, Fini, et al., 2007Loghmani-Khouzani, Fini, et al., 2007Miyazawa and Tamura, 2007Setkova, Risticevic, et al., 2007
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase Elite-5MSDB-5DB-5DB-5DB-5
Column length (m) 30.30.60.60.30.
Carrier gas HeHeHeHeN2
Substrate      
Column diameter (mm) 0.320.320.320.320.32
Phase thickness (μm) 0.50.25  1.
Tstart (C) 40.40.60.50.40.
Tend (C) 280.250.250.250.230.
Heat rate (K/min) 4.4.4.4.6.
Initial hold (min) 5.2.5.5.2.
Final hold (min) 10.5.  15.
I 1112.1120.1117.1118.1159.
ReferenceTava, Pecetti, et al., 2007Xu, Fan, et al., 2007Fadel, Mageed, et al., 2006Fadel, Mageed, et al., 2006, 2Fan and Qian, 2006
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase BPX-5DB-5DB-5SPB-5DB-5
Column length (m) 25.30.30.30.30.
Carrier gas HeliumHeliumHeHeliumHydrogen
Substrate      
Column diameter (mm) 0.200.250.320.250.25
Phase thickness (μm) 0.130.250.250.250.25
Tstart (C) 50.50.60.60.70.
Tend (C) 230.250.280.250.280.
Heat rate (K/min) 3.3.5.4.4.
Initial hold (min) 2.5.0.52.4.
Final hold (min)   2.20. 
I 1102.1112.1118.1111.1109.
ReferenceFons, Rapior, et al., 2006Mirza, Navaei, et al., 2006Ozel, Gogus, et al., 2006Pino, Marquez, et al., 2006Pino, Marbot, et al., 2006
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-5DB-5FSOT-RSL-200HP-5MSDB-5
Column length (m) 30.30.30.30.13.5
Carrier gas HeHeHydrogenHeHe
Substrate      
Column diameter (mm) 0.250.250.320.250.32
Phase thickness (μm) 0.250.250.250.25 
Tstart (C) 60.60.40.60.35.
Tend (C) 200.200.280.280.225.
Heat rate (K/min) 2.2.6.3.6.
Initial hold (min)   5.5.3.
Final hold (min) 60.60.5.  
I 1120.1120.1105.1112.1111.
ReferenceRout, Naik, et al., 2006Rout, Naik, et al., 2006Schmidt, Jirovetz, et al., 2006Setzer, Noletto, et al., 2006de Souza, Vásquez, et al., 2006
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase HP-1BPX5BPX-5ZB-5ZB-5
Column length (m) 50.25.25.60.60.
Carrier gas HeHeliumHeHeHe
Substrate      
Column diameter (mm) 0.20.220.220.250.25
Phase thickness (μm) 0.50.250.250.250.25
Tstart (C) 60.50.50.40.40.
Tend (C) 250.320.320.250.250.
Heat rate (K/min) 2.5.5.6.6.
Initial hold (min)  5.5.7.7.
Final hold (min) 40.  1.1.
I 1092.1125.1129.1129.1129.
ReferenceValette, Fernandez, et al., 2006Dickschat, Bode, et al., 2005Dickschat, Martens, et al., 2005Dötterl and Jürgens, 2005Dötterl, Wolfe, et al., 2005
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-5DB-5SPB-5HP-5DB-5
Column length (m) 30.30.30.60.30.
Carrier gas  HeHeHeHe
Substrate      
Column diameter (mm) 0.250.250.530.320.25
Phase thickness (μm) 0.250.25 0.250.25
Tstart (C) 40.40.100.30.60.
Tend (C) 240.280.250.260.240.
Heat rate (K/min) 4.8.5.2.3.
Initial hold (min) 2.  2. 
Final hold (min)    28. 
I 1122.1127.1137.1117.11105.
ReferenceEl-Sayed, Heppelthwaite, et al., 2005Jelén, Krawczyk, et al., 2005Kilic, Kollmannsberger, et al., 2005Leffingwell and Alford, 2005Miyazawa, Nishiguchi, et al., 2005
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-1SPB-5DB-5HP-5MSHP-5MS
Column length (m) 30.30.25.30.30.
Carrier gas N2HeHeHeHe
Substrate      
Column diameter (mm) 0.250.250.250.250.25
Phase thickness (μm) 0.250.250.250.250.25
Tstart (C) 50.60.60.60.60.
Tend (C) 200.250.200.280.285.
Heat rate (K/min) 5.4.2.3.4.3
Initial hold (min)  2. 5. 
Final hold (min)  20.80.  
I 1086.1110.1137.1109.1110.
ReferenceNyegue, Belinga-Ndoye, et al., 2005Pino, Marbot, et al., 2005Rout, Misra, et al., 2005Setzer, Noletto, et al., 2005Tesevic, Nikicevic, et al., 2005
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase HP-5ZB-5DB-1DB-1DB-1
Column length (m) 30.60.60.60.60.
Carrier gas HeliumHeHeHeHe
Substrate      
Column diameter (mm) 0.320.250.320.320.32
Phase thickness (μm) 0.250.250.250.250.25
Tstart (C) 40.40.35.35.35.
Tend (C) 250.260.230.230.230.
Heat rate (K/min) 5.6.2.2.2.
Initial hold (min) 2.4.64.4.4.
Final hold (min) 5.1.25.25.25.
I 1086.1129.1076.1078.1078.
ReferenceN/AJürgens and Dötterl, 2004Park, Lee, et al., 2004Park, Lee, et al., 2004Park, Lee, et al., 2004
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-1HP-5RSL-200RSL-200SPB-5
Column length (m) 60.25.30.30.30.
Carrier gas HeN2H2H2He
Substrate      
Column diameter (mm) 0.320.20.320.320.32
Phase thickness (μm) 0.250.50.250.250.25
Tstart (C) 35.30.40.40.40.
Tend (C) 230.280.280.280.220.
Heat rate (K/min) 2.3.6.6.5.
Initial hold (min) 4. 5.5.1.
Final hold (min) 25. 5.5.20.
I 1081.1120.1104.1104.1119.
ReferencePark, Lee, et al., 2004Shafi, Nambiar, et al., 2004Jirovetz, Buchbauer, et al., 2003Jirovetz, Buchbauer, et al., 2003, 2Ledauphin, Guichard, et al., 2003
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase OV-101DB-5DB-5SPB-1HP-5
Column length (m) 12.30.30.30.30.
Carrier gas  H2HeHeHe
Substrate      
Column diameter (mm) 0.320.250.250.250.25
Phase thickness (μm) 0.320.250.250.250.25
Tstart (C) 35.60.60.40.45.
Tend (C) 225.280.240.200.280.
Heat rate (K/min) 6.4.3.3.15.
Initial hold (min) 3.10. 10.2.
Final hold (min)  40.  11.4
I 1088.1110.1110.1082.1120.
ReferenceMurakami, Goldstein, et al., 2003Pino, Marbot, et al., 2003da Silva, Luz, et al., 2003Vichi, Pizzale, et al., 2003Wanakhachornkrai and Lertsiri, 2003
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase OV-101DB-5SPB-5DB-5OV-101
Column length (m) 10.30.30.30.25.
Carrier gas  HeHeliumHeNitrogen
Substrate      
Column diameter (mm) 0.250.250.250.250.25
Phase thickness (μm)  0.250.250.25 
Tstart (C) 35.60.60.60.60.
Tend (C) 225.240.250.240.240.
Heat rate (K/min) 6.3.4.3.4.
Initial hold (min) 5. 2. 0.
Final hold (min)   20. 0.
I 1076.1108.1110.1111.1089.
ReferenceBloss, Acree, et al., 2002Kobaisy, Tellez, et al., 2002Pino, Marbot, et al., 2002Tellez, Khan, et al., 2002Zenkevich and Rodin, 2002
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase AT-1DB-5MSHP-5RSL-200SPB-5
Column length (m)  30.60.60.60.
Carrier gas HeHeHeH2He
Substrate      
Column diameter (mm)  0.320.320.320.25
Phase thickness (μm)  0.251.0.250.25
Tstart (C) 50.40.40.40.70.
Tend (C) 300.195.240.250.240.
Heat rate (K/min) 10.5.3.6.5.
Initial hold (min) 2.5.  8.
Final hold (min)  40.  20.
I 1083.1112.1127.1105.1140.
ReferenceKelling, 2001Suriyaphan, Drake, et al., 2001García, Martín, et al., 2000Jirovetz, Puschmann, et al., 2000Kim, Kim, et al., 2000
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-5DB-5DB-1Methyl SiliconeBP-5
Column length (m) 30.30.25.60.50.
Carrier gas H2H2He He
Substrate      
Column diameter (mm) 0.320.320.250.250.32
Phase thickness (μm) 0.50.50.130.251.
Tstart (C) 60.60.60.40.40.
Tend (C) 245.245.200.220.190.
Heat rate (K/min) 3.3.4.5.2.
Initial hold (min) 3.3.2.10.5.
Final hold (min) 20.20.   
I 1116.1116.1112.1084.901146.
ReferenceKotseridis and Baumes, 2000Kotseridis and Baumes, 2000Rapior, Konska, et al., 2000Baraldi, Rapparini, et al., 1999Lopez, Ferreira, et al., 1999
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-5HP-1PONADB-5 MSHP-5
Column length (m) 30.25.50.60.50.
Carrier gas   HeHelium 
Substrate      
Column diameter (mm) 0.320.200.20.320.32
Phase thickness (μm) 1. 0.50.250.52
Tstart (C) 40.35.40.40.35.
Tend (C) 200.250.250.200.250.
Heat rate (K/min) 3.4.6.3.2.
Initial hold (min) 5. 5.5.15.
Final hold (min)    30.45.
I 1120.1078.1095.1112.1118.
ReferenceMeynier, Novelli, et al., 1999Ong and Acree, 1999Ramalho, de Freitas, et al., 1999Suriyaphan, Drake, et al., 1999Boylston and Viniyard, 1998
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-5BP-5Optima 1HP-1HP-1
Column length (m) 30.50.25.25.25.
Carrier gas HeHeHelium  
Substrate      
Column diameter (mm) 0.250.320.200.320.32
Phase thickness (μm) 0.251.0.25  
Tstart (C) 60.40.50.35.35.
Tend (C) 240.190.200.250.250.
Heat rate (K/min) 3.2.3.4.4.
Initial hold (min)  5.   
Final hold (min)      
I 1125.1118.1108.1078.1078.
ReferenceEl-Sakhawy, El-Tantawy, et al., 1998Ferreira, Ardanuy, et al., 1998Fons, Rapior, et al., 1998Ong and Acree, 1998Ong, Acree, et al., 1998
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-1SPB-1OV-101OV-101HP-5
Column length (m) 30.50.15.15. 
Carrier gas HeHeHeHe 
Substrate      
Column diameter (mm) 0.320.20.320.32 
Phase thickness (μm) 0.50.33   
Tstart (C) 35.40.35.35.35.
Tend (C) 200.200.250.250.200.
Heat rate (K/min) 10.3.6.6.6.
Initial hold (min) 1.3.3.3.2.
Final hold (min)  30.   
I 1105.1088.1080.1098.1130.
ReferenceRobacker and Bartelt, 1997Wong and Lai, 1996Chisholm, Guiher, et al., 1995Chisholm, Guiher, et al., 1995Larsen and Frisvad, 1995
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-1OV-101DB-5DB-5DB-1
Column length (m) 15.50.30.30.30.
Carrier gas   H2H2He
Substrate      
Column diameter (mm) 0.250.220.320.320.25
Phase thickness (μm)   1.1.1.0
Tstart (C) 100.80.40.40.40.
Tend (C) 999.200.220.220.250.
Heat rate (K/min) 15.2.3.3.3.
Initial hold (min)      
Final hold (min)     30.
I 1096.1104.1120.1120.1085.
ReferenceBartelt, Carlson, et al., 1993Egolf and Jurs, 1993Moio, Dekimpe, et al., 1993Moio, Dekimpe, et al., 1993Peppard, 1992
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-1DB-5DB-1DB-1DB-1
Column length (m) 30.60. 60.60.
Carrier gas HeHe   
Substrate      
Column diameter (mm) 0.250.32 0.32 
Phase thickness (μm) 1.01.0   
Tstart (C) 40.40.50.50.30.
Tend (C) 250.240.230.230.200.
Heat rate (K/min) 3.3.4.4.4.
Initial hold (min)     25.
Final hold (min) 30. 10.10.30.
I 1104.1114.1081.1081.1081.
ReferencePeppard, 1992Berdague, Denoyer, et al., 1991Binder, Turner, et al., 1990Binder, Turner, et al., 1990, 2Buttery, Takeoka, et al., 1990
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-1HP-5HP-5DB-1DB-1
Column length (m) 60.50.50.60.60.
Carrier gas HeH2H2  
Substrate      
Column diameter (mm) 0.250.30.30.320.32
Phase thickness (μm)     0.25
Tstart (C) 30.80.80.50.50.
Tend (C) 200.250.250.250.250.
Heat rate (K/min) 4.16.16.4.4.
Initial hold (min) 25.    
Final hold (min) 5.  5. 
I 1081.1104.1121.1082.1079.
ReferenceButtery, Teranishi, et al., 1990Spadone, Takeoka, et al., 1990Spadone, Takeoka, et al., 1990Binder, Flath, et al., 1989Flath, Matsumoto, et al., 1989
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-1DB-1DB-5DB5-30WDB-1
Column length (m) 60.60.30.30.50.
Carrier gas   HydrogenHe 
Substrate      
Column diameter (mm) 0.320.320.350.250.32
Phase thickness (μm) 0.250.251.00.25 
Tstart (C) 50.50.45.60.0.
Tend (C) 250.250.220.300.250.
Heat rate (K/min) 4.4.2.5.3.
Initial hold (min)      
Final hold (min)      
I 1080.1081.1130.1119.1083.
ReferenceFlath, Matsumoto, et al., 1989Flath, Matsumoto, et al., 1989Georgilopoulos and Gallois, 1988Schwab and Schreier, 1988Habu, Flath, et al., 1985
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillary
Active phase DB-1DB-1SE-30
Column length (m) 50.60.50.
Carrier gas   He
Substrate    
Column diameter (mm) 0.320.320.5
Phase thickness (μm)    
Tstart (C) 50.50.40.
Tend (C) 250.250.170.
Heat rate (K/min) 3.4.3.
Initial hold (min)  0.13.
Final hold (min)  5. 
I 1081.1080.1101.
ReferenceHabu, Flath, et al., 1985Flath, Mon, et al., 1983Heydanek and McGorrin, 1981
Comment MSDC-RI 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.

Wanakhachornkrai and Lertsiri, 9999
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Goeminne, P.C.; Vandendriessche, T.; Van Eldere, J.; Nicolai, B.M.; Hertog, M.L.; Dupont, L.J., Detection of Pseudomonas aeruginosa in sputum headspace through volatile organic compound analysis, Respiratory Res., 2012, 13, 87, 1-9. [all data]

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Nawrath, T.; Mgode, G.F.; Weetjens, B.; Kaufmann, S.H.E.; Schulz, S., The volatiles of pathogenic and nonpathogenic mycobacteria aand related bacteria, Beilstein J. Org. Chem., 2012, 8, 290-297, https://doi.org/10.3762/bjoc.8.31 . [all data]

Leffingwell and Alford, 2011
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Notes

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