Cyclohexene, 1-methyl-4-(1-methylethylidene)-

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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 RTX-WaxHP-InnowaxRTX-WaxDB-WaxSupelcowax
Column length (m) 60.30.60.30.60.
Carrier gas HeliumHeliumHeliumHeliumNitrogen
Substrate      
Column diameter (mm) 0.220.250.220.250.35
Phase thickness (μm) 0.250.250.250.250.25
Tstart (C) 60.50.60.80.60.
Tend (C) 230.250.230.240.230.
Heat rate (K/min) 2.5.2.3.4.
Initial hold (min)  5.   
Final hold (min) 5.10.30.2.40.
I 1292.1290.1274.1301.1284.
ReferenceBendiabdellah, El Amine Dib, et al., 2012Menichini, Tundis, et al., 2011Dib, Djabou, et al., 2010Vahirua-Lechat, Mitermite, et al., 2010Gauvin-Bialecki and Marodon, 2009
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase Supelcowax 10RTX-WaxHP-InnowaxHP-InnowaxCarbowax
Column length (m) 30.60.30.30.60.
Carrier gas HeliumHeliumNitrogenN2He
Substrate      
Column diameter (mm) 0.250.220.250.250.2
Phase thickness (μm) 0.250.250.520.250.25
Tstart (C) 50.60.35.50.60.
Tend (C) 200.230.205.240.250.
Heat rate (K/min) 5.2.3.5.2.
Initial hold (min)   10.1.8.
Final hold (min)  30.10.4.15.
I 1283.1258.1290.1287.1304.
ReferenceKoba, Catherine, et al., 2009Museli, Pau, et al., 2009Wannes, Mhamdi, et al., 2009Cheraif, Ben Jannet, et al., 2007Ferhat, Meklati, et al., 2007
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase HP-WaxHP-InnowaxCP-Wax 52CBTC-FFAPTC-FFAP
Column length (m) 30.30.30.  
Carrier gas N2HeHeHeHe
Substrate      
Column diameter (mm) 0.250.250.320.250.25
Phase thickness (μm) 0.250.250.250.250.25
Tstart (C) 50.60.40.60.60.
Tend (C) 250.240.220.220.220.
Heat rate (K/min) 5.2.3.3.3.
Initial hold (min)   1.  
Final hold (min) 10.20.2.30.30.
I 1286.1282.1284.1292.1290.
ReferenceFredj, Marzouk, et al., 2007Hachicha, Skanji, et al., 2007Hymete, Rohloff, et al., 2007Kurose, Okamura, et al., 2007Kurose, Okamura, et al., 2007
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase Carbowax 20MDB-WaxSupelcowax-10CarbowaxSupelcowax-10
Column length (m) 30.60.30.60.30.
Carrier gas HeHeHeHe 
Substrate      
Column diameter (mm) 0.250.320.20.250.25
Phase thickness (μm) 0.250.250.20.250.25
Tstart (C) 60.70.70.40.40.
Tend (C) 230.220.220.180.210.
Heat rate (K/min) 3.4.3.5.2.
Initial hold (min)      
Final hold (min)   15. 33.
I 1286.1277.1288.1284.1296.
ReferenceLimberger, Scopel, et al., 2007Pala-Paul, Brophy, et al., 2007Pinto, Salgueiro, et al., 2007Singh, Kumar, et al., 2007Sylvestre, Longtin, et al., 2007
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase Supelcowax-10Supelcowax-10DB-WaxInnowaxInnowax
Column length (m) 30.30.60.30.30.
Carrier gas  HeHeN2N2
Substrate      
Column diameter (mm) 0.250.250.250.250.25
Phase thickness (μm) 0.250.250.250.250.25
Tstart (C) 40.40.60.50.50.
Tend (C) 250.250.180.280.280.
Heat rate (K/min) 2.3.3.9.9.
Initial hold (min)  5.8.3.3.
Final hold (min) 33.10.80.3.3.
I 1296.1283.1280.1280.1285.
ReferenceSylvestre, Pichette, et al., 2007Vichi, Riu-Aumatell, et al., 2007Wei A. and Shibamoto T., 2007Abdelwahed, Hayder, et al., 2006Abdelwahed, Hayder, et al., 2006
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase AT-WaxBP-20DB-WaxSupelcowax 10DB-Wax
Column length (m) 60.50.60.30.60.
Carrier gas HeHeHeHeliumHe
Substrate      
Column diameter (mm) 0.250.220.250.200.25
Phase thickness (μm) 0.250.250.50.200.25
Tstart (C) 60.60.50.70.70.
Tend (C) 200.220.230.220.230.
Heat rate (K/min) 4.2.3.3.2.
Initial hold (min)   2. 2.
Final hold (min) 20.20.20.15.20.
I 1290.1278.1278.1288.1294.
ReferenceBorges, Rojas, et al., 2006Boti, Muselli, et al., 2006Cai, Lin, et al., 2006Cavaleiro, Pinto, et al., 2006Choi H.S., 2006
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-WaxBP-20BP-20HP-20MCP-Wax 52CB
Column length (m) 60.50.50.50.30.
Carrier gas N2HeHeHeHe
Substrate      
Column diameter (mm) 0.250.220.220.20.32
Phase thickness (μm) 0.250.250.250.10.25
Tstart (C) 70.60.60.60.60.
Tend (C) 230.220.220.220.220.
Heat rate (K/min) 2.2.2.2.3.3
Initial hold (min) 2.   7.
Final hold (min) 20.20.20.30.3.
I 1292.1280.1280.1253.1284.
ReferenceChoi, 2006Fanciullino, Tomi, et al., 2006Fanciullino, Tomi, et al., 2006Filippi, Lanfranchi, et al., 2006Hymete, Rohloff, et al., 2006
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-Wax EtrDB-WaxSupelcowaxHP-WaxHP-20M
Column length (m) 60.60.30.30.30.
Carrier gas He N2NitrogenN2
Substrate      
Column diameter (mm) 0.250.250.320.250.25
Phase thickness (μm) 0.250.250.250.250.25
Tstart (C) 40.70.50.50.50.
Tend (C) 230.230.200.280.250.
Heat rate (K/min) 2.2.5.5.5.
Initial hold (min) 5.2.   
Final hold (min) 100.20. 5.10.
I 1311.1288.1291.1280.1280.
ReferenceIbarz, Ferreira, et al., 2006Lan Phi N.T., Nishiyama C., et al., 2006Martin, Joseph, et al., 2006Marzouk, Mansour, et al., 2006Marzouk, Neffati, et al., 2006
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-InnowaxNB-20MDB-WaxSupelcowax-10Supelcowax-10
Column length (m) 60.30.60.30.30.
Carrier gas HeliumHe HeHe
Substrate      
Column diameter (mm) 0.250.20.250.250.25
Phase thickness (μm) 0.250.250.250.250.25
Tstart (C) 60.50.70.50.50.
Tend (C) 240.250.230.220.250.
Heat rate (K/min) 3.2.2.4.4.
Initial hold (min)   2.1.1.
Final hold (min) 20. 20.10.10.
I 1287.1270.1289.1285.1303.
ReferenceMendivil, Rodrigues, et al., 2006Orav, Raal, et al., 2006Sawamura, Onishi, et al., 2006Wong, Lim, et al., 2006Wong, Sivasothy, et al., 2006
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase Carbowax 20MStabilwaxStabilwaxHP-20MHP-20M
Column length (m) 50.30.30.50.50.
Carrier gas  H2 HeliumHelium
Substrate      
Column diameter (mm) 0.20.320.320.200.20
Phase thickness (μm) 0.250.50.50.200.20
Tstart (C) 60.40.40.70.70.
Tend (C) 250.280.280.180.180.
Heat rate (K/min) 2.6.6.4.4.
Initial hold (min) 60.5.5.4.4.
Final hold (min)  5.5.10.10.
I 1265.1283.1285.1262.1262.
ReferenceFernandez, Lizzani-Cuvelier, et al., 2005Jirovetz, Buchbauer, et al., 2005Jirovetz, Buchbauer, et al., 2005, 2Kulisic, Radonic, et al., 2005Kulisic, Radonic, et al., 2005
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-WaxDB-WaxDB-WaxDB-WaxCP-Wax 52CB
Column length (m) 30.60.60.60.30.
Carrier gas HeN2N2NitrogenHe
Substrate      
Column diameter (mm) 0.250.250.250.320.32
Phase thickness (μm) 0.250.250.250.500.25
Tstart (C) 50.70.70.35.40.
Tend (C) 180.230.230.235.220.
Heat rate (K/min) 3.2.2.2.4.
Initial hold (min)  2.2.4.1.
Final hold (min) 40.20.20.30. 
I 1271.1287.1287.1301.1286.
ReferenceLee, Umano, et al., 2005Njoroge, Koaze, et al., 2005Njoroge, Koaze, et al., 2005, 2Qian and Wang, 2005Rohloff and Bones, 2005
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-WaxSupelcowax-10Supelcowax-10Supelcowax-10BP-20
Column length (m) 30.30.30.30.50.
Carrier gas He  He 
Substrate      
Column diameter (mm) 0.250.250.250.250.22
Phase thickness (μm) 0.250.250.250.250.25
Tstart (C) 40.40.40.50.60.
Tend (C) 250.210.220.220.220.
Heat rate (K/min) 4.2.3.4.2.
Initial hold (min)  2.5.3. 
Final hold (min) 10.33.10.30.20.
I 1233.1273.1283.1285.1276.
ReferenceSalehi, Sonboli, et al., 2005Stevanovic, Garneau, et al., 2005Vichi, Riu-Aumatell, et al., 2005Wong, Lee, et al., 2005Blanc, Muselli, et al., 2004
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) 60.60.60.60.60.
Carrier gas  N2N2HeHe
Substrate      
Column diameter (mm) 0.250.250.250.20.25
Phase thickness (μm) 0.50.250.250.2 
Tstart (C) 35.70.70.60.60.
Tend (C) 240.230.230.200.220.
Heat rate (K/min) 4.2.2.4.2.
Initial hold (min) 5.2.2. 4.
Final hold (min) 10.20.20.40. 
I 1323.1297.1292.1261.1282.
ReferenceChida, Sone, et al., 2004Choi, 2004Choi, 2004, 2Gauvin, Ravaomanarivo, et al., 2004Jiang and Kubota, 2004
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-WaxSupelcowax-10Innowax FSCSupelcowax-10Supelcowax-10
Column length (m) 60.30.60.50.50.
Carrier gas He HeliumHeHe
Substrate      
Column diameter (mm) 0.250.250.250.20.2
Phase thickness (μm)  0.25 0.250.25
Tstart (C) 60.40.60.70.70.
Tend (C) 220.210.220.230.230.
Heat rate (K/min) 2.2.4.2.2.
Initial hold (min) 4.2.10.  
Final hold (min)  33.   
I 1282.1251.1290.1280.1282.
ReferenceJiang and Kubota, 2004Lopez Arze, Collin, et al., 2004Lourens, Reddy, et al., 2004Orav, Stulova, et al., 2004Orav, Stulova, et al., 2004
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-WaxInnowaxNB-20MSW-10DB-Wax
Column length (m) 60.50.50.50.60.
Carrier gas HeHeHeHe 
Substrate      
Column diameter (mm) 0.320.20.20.200.25
Phase thickness (μm) 0.250.20.250.250.25
Tstart (C) 35.70.50.50.70.
Tend (C) 220.220.250.230.230.
Heat rate (K/min) 3.4.2.2.2.
Initial hold (min)     2.
Final hold (min)     20.
I 1279.1309.1276.1281.1306.
ReferencePalá-Paúl, Brophy, et al., 2004Palá-Paúl, García-Jiménez, et al., 2004Raal, Arak, et al., 2004Raal, Paaver, et al., 2004Sawamura, Son, et al., 2004
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-WaxHP-WaxHP-20MDB-WaxSupelcowax-10
Column length (m) 60.30.50.60.50.
Carrier gas NitrogenN2HeHeliumHe
Substrate      
Column diameter (mm) 0.250.250.20.250.2
Phase thickness (μm) 0.250.250.2 0.25
Tstart (C) 70.60.70.70.70.
Tend (C) 230.220.180.210.230.
Heat rate (K/min) 2.5.4.2.2.
Initial hold (min) 2.10.4.  
Final hold (min)   10.60. 
I 1306.1288.1265.1291.1282.
ReferenceSawamura, Sou, et al., 2004Bertoli, Menichini, et al., 2003Mastelic and Jerkovic, 2003Mookdasanit, Tamura, et al., 2003Orav, Kailas, et al., 2003
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase Supelcowax-10HP-InnowaxInnowaxDB-WaxDB-Wax
Column length (m) 30.50.60.60.60.
Carrier gas N2 HeN2N2
Substrate      
Column diameter (mm) 0.250.20.250.250.25
Phase thickness (μm) 0.250.2 0.250.25
Tstart (C) 40.50.60.70.70.
Tend (C) 230.220.220.230.230.
Heat rate (K/min) 2.4.4.2.2.
Initial hold (min)  5.10.2.2.
Final hold (min)   10.20.20.
I 1281.1290.1290.1280.1278.
ReferenceRotman, Ahumada, et al., 2003Stashenko, Jaramillo, et al., 2003Suleimenov, Atazharova, et al., 2003Tu, Onishi, et al., 2003Tu, Onishi, et al., 2003, 2
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase HP-InnowaxCarbowax 20MDB-WaxCarbowax 20MSupelcowax-10
Column length (m) 50.25.60.30.60.
Carrier gas HeN2H2HeHe
Substrate      
Column diameter (mm) 0.20.250.320.250.2
Phase thickness (μm) 0.20.250.250.3250.5
Tstart (C) 70.50.40.50.70.
Tend (C) 190.250.245.215.220.
Heat rate (K/min) 5.4.1.54.2.
Initial hold (min)      
Final hold (min)  10.20.20. 
I 1298.1299.1271.1287.1282.
ReferenceVelasco-Negueruela, Pérez-Alonso, et al., 2003Zrira, Elamrani, et al., 2003Gancel, Ollé, et al., 2002Kasali, Winterhalter, et al., 2002Orav, Kailas, 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) 60.60.60.60.60.
Carrier gas N2N2HeHeHe
Substrate      
Column diameter (mm) 0.250.250.250.250.25
Phase thickness (μm) 0.250.250.250.25 
Tstart (C) 70.70.40.45.40.
Tend (C) 230.230.200.240.220.
Heat rate (K/min) 2.2.2.3.2.
Initial hold (min) 2. 2.  
Final hold (min) 20.    
I 1284.1295.1268.1287.1278.
ReferenceTu, Onishi, et al., 2002Tu, Thanh, et al., 2002Umano, Hagi, et al., 2002Christoph, 2001Jiang and Kubota, 2001
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase StabilwaxBP-20TC-WaxPEG-20MPEG-20M
Column length (m) 30.50.60.50.50.
Carrier gas H2HeHeHeHe
Substrate      
Column diameter (mm) 0.320.220.250.20.2
Phase thickness (μm) 0.250.25   
Tstart (C) 60.60.80.70.70.
Tend (C) 280.230.250.250.220.
Heat rate (K/min) 10.2.4.2.2.
Initial hold (min) 5.    
Final hold (min) 5.35.47.  
I 1282.1278.1286.1281.1282.
ReferenceJirovetz L., Buchbauer G., et al., 2001Lota, de Rocca Serra, et al., 2001Miyazawa, Kurose, et al., 2001Orav, Kailas, et al., 2001Orav and Kann, 2001
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase PEG-20MInnowaxDB-WaxCP-Wax 52CBDB-Wax
Column length (m) 50.60.60.50.30.
Carrier gas HeHe HeHe
Substrate      
Column diameter (mm) 0.20.250.250.300.2
Phase thickness (μm)  0.250.250.25 
Tstart (C) 70.60.30.40.50.
Tend (C) 220.220.170.220.180.
Heat rate (K/min) 2.4.2.3.3.
Initial hold (min)  10.4.5.8.
Final hold (min)  10.30.  
I 1282.1290.1278.1290.1271.
ReferenceOrav and Kann, 2001Baser, Özek, et al., 2000Buttery, Light, et al., 2000Chagonda, Makanda, et al., 2000Franco and Shibamoto, 2000
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-WaxSupelcowax-10BP-20HP-20MDB-Wax
Column length (m) 30.60.25.50.60.
Carrier gas HeHeNitrogenHeNitrogen
Substrate      
Column diameter (mm) 0.20.250.500.200.25
Phase thickness (μm)  0.250.250.20 
Tstart (C) 50.60.60.70.40.
Tend (C) 180.280.200.180.200.
Heat rate (K/min) 3.4.5.4.2.
Initial hold (min) 8.  4.10.
Final hold (min)      
I 1270.1280.1284.1260.1294.
ReferenceFranco and Shibamoto, 2000Korány, Mednyánszky, et al., 2000Mallavarapu, Rao, et al., 2000Mastelic, Milos, et al., 2000Tamura, Boonbumrung, et al., 2000
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-WaxSupelcowax-10BP-20InnowaxSupelcowax-10
Column length (m) 60.30.25.60.30.
Carrier gas He  HeHe
Substrate      
Column diameter (mm) 0.250.250.330.250.25
Phase thickness (μm) 0.250.250.50.25 
Tstart (C) 40.60.80.60.60.
Tend (C) 200.220.220.220.240.
Heat rate (K/min) 2.4.5. 4.
Initial hold (min) 2.  10. 
Final hold (min)      
I 1279.1288.1300.1290.1281.
ReferenceUmano, Hagi, et al., 2000Choo, Wong, et al., 1999Dunlop, Bignell, et al., 1999Kaya, Baser, et al., 1999Labuckas, Zygadlo, et al., 1999
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-WaxNB-351BP-20DB-WaxBP-20
Column length (m) 60.25.25.60.25.
Carrier gas HeH2N2HeH2
Substrate      
Column diameter (mm) 0.250.30.50.250.33
Phase thickness (μm) 0.250.5 0.250.5
Tstart (C) 60.70.60.40.80.
Tend (C) 240.250.200.200.220.
Heat rate (K/min) 4.5.5.2.5.
Initial hold (min)  2. 2. 
Final hold (min)      
I 1285.1309.1268.1280.1300.
ReferenceNgassoum, Yonkeu, et al., 1999Onocha, Ekundayo, et al., 1999Rao, Bhattacharya, et al., 1999Umano, Nakahara, et al., 1999Bignell, Dunlop, et al., 1998
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase HP-20MDB-WaxHP-InnowaxHP-InnowaxHP-Innowax FSC
Column length (m) 50.30.25.60.60.
Carrier gas HeN2 HeHe
Substrate      
Column diameter (mm) 0.20.250.320.250.25
Phase thickness (μm) 0.20.25 0.250.25
Tstart (C) 70.45.35.50.60.
Tend (C) 180.220.250.220.220.
Heat rate (K/min) 4.3.4.5.4.
Initial hold (min) 4.  5.10.
Final hold (min) 10.   10.
I 1260.1289.1269.1274.1290.
ReferenceMilso, Mastelic, et al., 1998Mölleken, Sinnwell, et al., 1998Ong and Acree, 1998Stashenko, Cervantes, et al., 1998Tümen, Baser, et al., 1998
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase HP-Innowax FSCBP-20BP-20BP-20BP-20
Column length (m) 60.25.25.25.25.
Carrier gas HeH2H2H2H2
Substrate      
Column diameter (mm) 0.250.330.330.330.33
Phase thickness (μm)  0.50.50.50.5
Tstart (C) 60.80.80.80.80.
Tend (C) 240.220.220.220.220.
Heat rate (K/min) 4.5.5.5.5.
Initial hold (min) 10.    
Final hold (min) 10.    
I 1290.1300.1300.1300.1300.
ReferenceBaser, Kirimer, et al., 1997Bignell, Dunlop, et al., 1997Bignell, Dunlop, et al., 1997, 2Bignell, Dunlop, et al., 1997, 3Bignell, Dunlop, et al., 1997, 4
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase BP-20BP-20Supelcowax-10SP-1000PEG-20M
Column length (m) 25.25.0.85.50.
Carrier gas  H2HeHeHe
Substrate      
Column diameter (mm) 0.330.330.250.500.25
Phase thickness (μm) 0.50.5   
Tstart (C) 80.80.40.65.70.
Tend (C) 220.220.240.225.250.
Heat rate (K/min) 5.5.3.3.2.
Initial hold (min)      
Final hold (min)      
I 1300.1300.1293.1283.1281.
ReferenceBignell, Dunlop, et al., 1997, 5Bignell, Dunlop, et al., 1997, 6Zygadlo, Ariza-Espinar, et al., 1997Brophy, Goldsack, et al., 1996Orav, Kailas, et al., 1996
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-WaxSupelcowax-10PEG-20MCarbowax 20MCarbowax 20M
Column length (m) 60.60.60.60.50.
Carrier gas HeHeHeHeHe
Substrate      
Column diameter (mm) 0.320.250.320.250.25
Phase thickness (μm) 0.500.250.250.25 
Tstart (C) 50.40.70.50.60.
Tend (C) 250.200.180.150.180.
Heat rate (K/min) 8.3.2.2.2.
Initial hold (min) 1.3.7.10.4.
Final hold (min) 6.30. 20. 
I 1293.1293.1290.1291.1280.
ReferenceSagrero-Nieves and Bartley, 1996Wong and Lai, 1996Orav, Kuningas, et al., 1995Tirado, Stashenko, et al., 1995Kawakami, Kobayashi, et al., 1993
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-WaxDB-WaxCarbowax 20MCarbowax 20MDB-Wax
Column length (m) 60.60.45.50.30.
Carrier gas HeHeHydrogenHe 
Substrate      
Column diameter (mm) 0.250.250.320.250.32
Phase thickness (μm) 0.250.251.0  
Tstart (C) 50.50.60.60.70.
Tend (C) 230.230.200.180.200.
Heat rate (K/min) 2.2.2.2.4.
Initial hold (min) 4.4.5.4.2.
Final hold (min)      
I 1282.1282.1287.1280.1297.
ReferenceShimoda, Shiratsuchi, et al., 1993Shimoda, Shiratsuchi, et al., 1993Kollmannsberger, Nitz, et al., 1992Kawakami and Kobayashi, 1991Wyllie, Brophy, et al., 1990
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase FFAPDB-WaxCarbowax 20MCarbowax 20MCarbowax 20M
Column length (m) 50.60.150.50.25.
Carrier gas  He   
Substrate      
Column diameter (mm)  0.3220.660.250.30
Phase thickness (μm)  0.25   
Tstart (C) 50.50.60.80.40.
Tend (C) 180.230.170.200.220.
Heat rate (K/min) 10.4.1.2.2.
Initial hold (min) 1. 40. 5.
Final hold (min)      
I 1298.1281.1290.1273.1283.
ReferenceBrophy, Davies, et al., 1989Engel, Flath, et al., 1988Buttery, Ling, et al., 1987Shibamoto, 1987Nykanen, 1986
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase BP-20Carbowax 20MCarbowax 20MCarbowax 20MCarbowax 20M
Column length (m) 25.50.150.50.50.
Carrier gas    N2N2
Substrate      
Column diameter (mm) 0.20.320.640.280.28
Phase thickness (μm)      
Tstart (C) 70.70.50.80.80.
Tend (C) 180.180.170.170.170.
Heat rate (K/min) 3.2.1.1.1.
Initial hold (min) 5. 30.  
Final hold (min)      
I 1287.1282.1290.1257.1257.
ReferenceMacLeod and Snyder, 1985Engel and Tressl, 1983Buttery and Kamm, 1980Yamaguchi and Shibamoto, 1980Yamaguchi and Shibamoto, 1980
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryPacked
Active phase Carbowax 20MCarbowax 20MCarbowax 20M
Column length (m) 100.100.2.
Carrier gas   Hydrogen
Substrate   Gas-Chrom Z (80-100 mesh)
Column diameter (mm) 0.250.25 
Phase thickness (μm)    
Tstart (C) 70.70.65.
Tend (C) 170.170.220.
Heat rate (K/min) 1.1.4.
Initial hold (min)    
Final hold (min)    
I 1290.1294.1312.
ReferenceShibamoto and Jennings, 1977Shibamoto and Jennings, 1977Stancher and Pertoldi, 1967
Comment 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.

Bendiabdellah, El Amine Dib, et al., 2012
Bendiabdellah, A.; El Amine Dib, M.; Djabou, N.; Allali, H.; Tabti, B.; Costa, J.; Myseli, A., Biological activities and volatile cinstituents of Daucus muricatus L. from Algeria, Chem. Centr. J., 2012, 6, 48, 1-22. [all data]

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Gauvin-Bialecki and Marodon, 2009
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Koba, Catherine, et al., 2009
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Museli, Pau, et al., 2009
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Ferhat, Meklati, et al., 2007
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Fredj, Marzouk, et al., 2007
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Hachicha, Skanji, et al., 2007
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Hymete, Rohloff, et al., 2007
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Kurose, Okamura, et al., 2007
Kurose, K.; Okamura, D.; Yatagai, M., Composition of the essential oils from the leaves of nine Pinus species and the cones of three of Pinus species, Flavour Fragr. J., 2007, 22, 1, 10-20, https://doi.org/10.1002/ffj.1609 . [all data]

Limberger, Scopel, et al., 2007
Limberger, R.P.; Scopel, M.; Sobral, M.; Henriques, A.T., Comparative analysis of volatiles from Drimys brasiliensis Miers and D. angustifolia Miers (Winteraceae) from Southern Brazil, Biochem. Syst. Ecol., 2007, 35, 3, 130-137, https://doi.org/10.1016/j.bse.2006.09.007 . [all data]

Pala-Paul, Brophy, et al., 2007
Pala-Paul, J.; Brophy, J.J.; Perez-Alonso, M.J.; Usano, J.; Soria, S.C., Essential oil composition of the different parts of Eryngium corniculatum Lam. (Apiaceae) from Spain, J. Chromatogr. A, 2007, 1175, 2, 289-293, https://doi.org/10.1016/j.chroma.2007.10.061 . [all data]

Pinto, Salgueiro, et al., 2007
Pinto, E.; Salgueiro, L.R.; Cavaleiro, C.; Palmeira, A.; Goncalves, M.J., In vitro susceptibility of some species of yeasts and filamentous fungi to essential oils of Salvia of?cinalis, Ind. Crops Prod., 2007, 26, 2, 135-141, https://doi.org/10.1016/j.indcrop.2007.02.004 . [all data]

Singh, Kumar, et al., 2007
Singh, B.; Kumar, R.; Bhandari, S.; Pathania, S.; Lal, B., Volatile constituents of natural Boswellia serrata oleo-gum-resin and commercial samples, Flavour Fragr. J., 2007, 22, 2, 145-147, https://doi.org/10.1002/ffj.1772 . [all data]

Sylvestre, Longtin, et al., 2007
Sylvestre, M.; Longtin, A.P.A.; Legault, J., Volatile leaf condtituents and anticancer activity of Bursera simaruba (L.) Sarg. essential oil, Natural Product Communications, 2007, 2, 12, 1273-1276. [all data]

Sylvestre, Pichette, et al., 2007
Sylvestre, M.; Pichette, A.; Longtin, A.; Martin, M.-A.C.; Bercion, S.R.; Legault, J., Chemical composition of leaf essential oil of Hedyosmum arborescens and evaluation of its anticancer activity, Natural Product Communications, 2007, 2, 12, 1269-1272. [all data]

Vichi, Riu-Aumatell, et al., 2007
Vichi, S.; Riu-Aumatell, M.; Mora-Pons, M.; Guadayol, J.M.; Buxaderas, S.; López-Tamames, E., Analytical, Nutritional and Clinical Methods. HS-SPME coupled to GC/MS for quality control of Juniperus communis L. berries used for gin aromatization, Food Chem., 2007, 105, 4, 1748-1754, https://doi.org/10.1016/j.foodchem.2007.03.026 . [all data]

Wei A. and Shibamoto T., 2007
Wei A.; Shibamoto T., Antioxidant activities and volatile constituents of various essential oils, J. Agric. Food Chem., 2007, 55, 5, 1737-1742, https://doi.org/10.1021/jf062959x . [all data]

Abdelwahed, Hayder, et al., 2006
Abdelwahed, A.; Hayder, N.; Kilani, S.; Mahmoud, A.; Chibani, J.; Hammami, M.; Chekir-Ghedira, L.; Ghedira, K., Chemical composition and antimicrobial activity of essential oils from Tunisian Pituranthos tortuosus (Coss.) Maire, Flavour Fragr. J., 2006, 21, 1, 129-133, https://doi.org/10.1002/ffj.1542 . [all data]

Borges, Rojas, et al., 2006
Borges, R.; Rojas, L.B.; Cegarra, J.A.; Usubillaga, A., Study of the essential oils from the leaves and flowers of Lepechinia conferta (Benth) Epl., Flavour Fragr. J., 2006, 21, 1, 155-157, https://doi.org/10.1002/ffj.1550 . [all data]

Boti, Muselli, et al., 2006
Boti, J.B.; Muselli, A.; Tomi, F.; Koukoua, G.; N'Guessan, T.Y.; Costa, J.; Casanova, J., Combined analysis of Cymbopogon giganteus Chiov. leaf oil from Ivory Coast by GC/RI, GC/MS and 13C-NMR, C.R. Chim., 2006, 9, 1, 164-168, https://doi.org/10.1016/j.crci.2005.10.003 . [all data]

Cai, Lin, et al., 2006
Cai, J.; Lin, P.; Zhu, X.; Su, Q., Comparative analysis of clary sage (S. sclarea L.) oil volatiles by GC-FTIR and GC-MS, Food Chem., 2006, 99, 2, 401-407, https://doi.org/10.1016/j.foodchem.2005.07.041 . [all data]

Cavaleiro, Pinto, et al., 2006
Cavaleiro, C.; Pinto, E.; Gonsales, M.J.; Salguero, L., Antifungal activity of Juniperus essential oils agains dermatophyte, Asrgillus and Candida strains, J. Appl. Microbiol., 2006, 100, 6, 1333-1338, https://doi.org/10.1111/j.1365-2672.2006.02862.x . [all data]

Choi H.S., 2006
Choi H.S., Lipolytic effects of citrus peel oils and their components, J. Agric. Food Chem., 2006, 54, 9, 3254-3258, https://doi.org/10.1021/jf052409j . [all data]

Choi, 2006
Choi, H.-S., Headspace analyses of fresh leaves and stems of Angelica gigas Nakai, a Korean medicinal herb, Flavour Fragr. J., 2006, 21, 4, 604-608, https://doi.org/10.1002/ffj.1602 . [all data]

Fanciullino, Tomi, et al., 2006
Fanciullino, A.-L.; Tomi, F.; Luro, F.; Desjobert, J.M.; Casanova, J., Chemical variability of peel and leaf oils of mandarins, Flavour Fragr. J., 2006, 21, 2, 359-367, https://doi.org/10.1002/ffj.1658 . [all data]

Filippi, Lanfranchi, et al., 2006
Filippi, J.-J.; Lanfranchi, D.-A.; Prado, S.; Baldovini, N.; Meierhenrich, U.J., Composition, Enantiomeric Distribution, and Antibacterial Activity of the Essential Oil of Achillea ligustica All. from Corsica, J. Agric. Food Chem., 2006, 54, 17, 6308-6313, https://doi.org/10.1021/jf060752y . [all data]

Hymete, Rohloff, et al., 2006
Hymete, A.; Rohloff, J.; Iversen, T.-H., Essential oil from seeds and husks of Aframomum corrorima from Ethiopia, Flavour Fragr. J., 2006, 21, 4, 642-644, https://doi.org/10.1002/ffj.1634 . [all data]

Ibarz, Ferreira, et al., 2006
Ibarz, M.J.; Ferreira, V.; Hernández-Orte, P.; Loscos, N.; Cacho, J., Optimization and evaluation of a procedure for the gas chromatographic-mass spectrometric analysis of the aromas generated by fast acid hydrolysis of flavor precursors extracted from grapes, J. Chromatogr. A, 2006, 1116, 1-2, 217-229, https://doi.org/10.1016/j.chroma.2006.03.020 . [all data]

Lan Phi N.T., Nishiyama C., et al., 2006
Lan Phi N.T.; Nishiyama C.; Choi H.-S.; Sawamura M., Evaluation of aroma characteristic compounds of Citrus natsudaidai Hayata (Natsudaidai) cold-pressed peel oil, Biosci. Biotechnol. Biochem., 2006, 70, 8, 1832-1838, https://doi.org/10.1271/bbb.50705 . [all data]

Martin, Joseph, et al., 2006
Martin, M.A.C.K.; Joseph, H.; Bercion, S.; Menut, C., Chemical composition of essential oils from aerial parts of Aframomum exscapum (Sims) Hepper collected in Guadeloupe, French West Indies, Flavour Fragr. J., 2006, 21, 6, 902-905, https://doi.org/10.1002/ffj.1741 . [all data]

Marzouk, Mansour, et al., 2006
Marzouk, Z.; Mansour, H.B.; Chraief, I.; Mosrati, R.; Cheriaa, J.; Neffati, A.; Marzouk, B.; Sfari, M.; Boukef, K.; Barillies, D.; Ghedira, L.C., Chemical composition, antibacterial and antimutagenic activities of four populations of Rosmarinus officinalis L. oils from Tunisia, J. Food Agriculture Environment, 2006, 4, 2, 89-94. [all data]

Marzouk, Neffati, et al., 2006
Marzouk, Z.; Neffati, A.; Marzouk, B.; Chraief, I.; Fathia, K.; Ghedira, L.C.; Boukef, K., Chemical composition and antibacterial and antimutagenic activity of Tunisian Rosmarinus officinalis L. oil from Kasrine, Journal of Food, Agriculture Environment, 2006, 4, 34, 61-65. [all data]

Mendivil, Rodrigues, et al., 2006
Mendivil, E.A.S.; Rodrigues, J.F.; Espinosa, M.E.; Fajardo, J.A.G.; Vosques, E.N.O., Chemical Composition and Fungicidal Activity of the Essential Oil of Thymus vulgaris against Alternaria citri, e-Gnosis, 2006, 4, 1-7, retrieved from http://www.e-gnosis.udg.mx. [all data]

Orav, Raal, et al., 2006
Orav, A.; Raal, A.; Arak, E.; Müürisepp, M.; Kailas, T., Composition of the essential oil of Artemisia absinthium L. of different geographical origin, Proc. Est. Acad. Sci. Chem., 2006, 55, 3, 155-165. [all data]

Sawamura, Onishi, et al., 2006
Sawamura, M.; Onishi, Y.; Ikemoto, J.; Tu, N.T.M.; Phi, N.T.L., Characteristic odour components of bergamot (Citrus bergamia Risso) essential oil, Flavour Fragr. J., 2006, 21, 4, 609-615, https://doi.org/10.1002/ffj.1604 . [all data]

Wong, Lim, et al., 2006
Wong, K.C.; Lim, T.B.; Ali, D.M.H., Essential oil of Homalomena sagittifolia Jungh., Flavour Fragr. J., 2006, 21, 5, 786-788, https://doi.org/10.1002/ffj.1714 . [all data]

Wong, Sivasothy, et al., 2006
Wong, K.C.; Sivasothy, Y.; Boey, P.L., Essential oil of Elettariopsis elan C.K. Lim, Flavour Fragr. J., 2006, 21, 3, 562-564, https://doi.org/10.1002/ffj.1654 . [all data]

Fernandez, Lizzani-Cuvelier, et al., 2005
Fernandez, X.; Lizzani-Cuvelier, L.; Loiseau, A.-M.; Perichet, C.; Delbecque, C.; Arnaudo, J.-F., Chemical composition of the essential oils from Turkish and Honduras Styrax, Flavour Fragr. J., 2005, 20, 1, 70-73, https://doi.org/10.1002/ffj.1370 . [all data]

Jirovetz, Buchbauer, et al., 2005
Jirovetz, L.; Buchbauer, G.; Ngassoum, M.B.; Parmentier, M., Chemical composition and olfactory characterization of essential oils of fruits and seeds of African pear (Dacryodes edulis (G. Don) H. J. Lam) from Cameroon, Flavour Fragr. J., 2005, 20, 2, 215-218, https://doi.org/10.1002/ffj.1324 . [all data]

Jirovetz, Buchbauer, et al., 2005, 2
Jirovetz, L.; Buchbauer, G.; Stoyanova, A.; Balinova, A.; Guangjiun, Z.; Xihan, M., Solid phase microextraction/gas chromatographic and olfactory analysis of the scent and fixative properties of the essential oil of Rosa damascena L. from China, Flavour Fragr. J., 2005, 20, 1, 7-12, https://doi.org/10.1002/ffj.1375 . [all data]

Kulisic, Radonic, et al., 2005
Kulisic, T.; Radonic, A.; Milos, M., Inhibition of Lard Oxidation by Fractions of Different Essential Oil, Grasas y Aceites, 2005, 56, 4, 284-291, https://doi.org/10.3989/gya.2005.v56.i4.94 . [all data]

Lee, Umano, et al., 2005
Lee, S.-J.; Umano, K.; Shibamoto, T.; Lee, K.-G., Identification of volatile components in basil (Ocimum basilicum L.) and thyme leaves (Thymus vulgaris L.) and their antioxidant properties, Food Chem., 2005, 91, 1, 131-137, https://doi.org/10.1016/j.foodchem.2004.05.056 . [all data]

Njoroge, Koaze, et al., 2005
Njoroge, S.M.; Koaze, H.; Mwaniki, M.; Minh Tu, N.T.; Sawamura, M., Essential oils of Kenyan Citrus fruits: volatile components of two varieties of mandarins (Citrus reticulata) and a tangelo (C. paradisi × C. tangerina), Flavour Fragr. J., 2005, 20, 1, 74-79, https://doi.org/10.1002/ffj.1376 . [all data]

Njoroge, Koaze, et al., 2005, 2
Njoroge, S.M.; Koaze, H.; Karanja, P.N.; Sawamura, M., Essential oil constituents of three varieties of Kenyan sweet oranges (Citrus sinensis), Flavour Fragr. J., 2005, 20, 1, 80-85, https://doi.org/10.1002/ffj.1377 . [all data]

Qian and Wang, 2005
Qian, M.C.; Wang, Y., Seasonal Variations of Volatile Composition and Odor Activity Value of Marion (Rubus spp. hyb) and Thornless Evergreen (R.laciniatus L.) Blackberries, J. Food. Sci., 2005, 70, 1, c13-c20, https://doi.org/10.1111/j.1365-2621.2005.tb09013.x . [all data]

Rohloff and Bones, 2005
Rohloff, J.; Bones, A.M., Volatile profiling of Arabidopsis thaliana - Putative olfactory compounds in plant communication, Phytochemistry, 2005, 66, 16, 1941-1955, https://doi.org/10.1016/j.phytochem.2005.06.021 . [all data]

Salehi, Sonboli, et al., 2005
Salehi, P.; Sonboli, A.; Eftekhar, F.; Nejad-Ebrahimi, S.; Yousefzadi, M., Essential Oil Composition, Antibacterial and Antioxidant Activity of the Oil and Various Extracts of Ziziphora clinopodioides subsp. rigida (BOISS.) RECH. f. from Iran, Biol. Pharm. Bull., 2005, 28, 10, 1892-1896, https://doi.org/10.1248/bpb.28.1892 . [all data]

Stevanovic, Garneau, et al., 2005
Stevanovic, T.; Garneau, F.-X.; Jean, F.-I.; Gagnon, H.; Vilotic, D.; Petrovic, S.; Ruzic, N.; Pichette, A., The essential oil composition of Pinus mugo Turra from Serbia, Flavour Fragr. J., 2005, 20, 1, 96-97, https://doi.org/10.1002/ffj.1390 . [all data]

Vichi, Riu-Aumatell, et al., 2005
Vichi, S.; Riu-Aumatell, M.; Mora-Pons, M.; Buxaderas, S.; Lopez-Tamames, E., Characterization of Volatiles in Different Dry Gins, J. Agric. Food Chem., 2005, 53, 26, 10154-10160, https://doi.org/10.1021/jf058121b . [all data]

Wong, Lee, et al., 2005
Wong, K.C.; Lee, B.C.; Lam, N.F.; Ibrahim, P., Essential oils of the rhizomes of Alpinia conchigera Griff. and Alpinia latilabris Ridl., Flavour Fragr. J., 2005, 20, 4, 431-433, https://doi.org/10.1002/ffj.1458 . [all data]

Blanc, Muselli, et al., 2004
Blanc, M.-C.; Muselli, A.; Bradesi, P.; Casanova, J., Chemical composition and variability of the essential oil of Inula graveolens from Corsica, Flavour Fragr. J., 2004, 19, 4, 314-319, https://doi.org/10.1002/ffj.1304 . [all data]

Chida, Sone, et al., 2004
Chida, M.; Sone, Y.; Tamura, H., Aroma characteristics of stored tobacco cut leaves analyzed by a high vacuum distillation and canister system, J. Agric. Food Chem., 2004, 52, 26, 7918-7924, https://doi.org/10.1021/jf049223p . [all data]

Choi, 2004
Choi, H.-S., Volatile constituents of satsuma mandarins growing in Korea, Flavour Fragr. J., 2004, 19, 5, 406-412, https://doi.org/10.1002/ffj.1283 . [all data]

Choi, 2004, 2
Choi, H.-S., Aroma evaluation of an aquatic herb, changpo (Acorus calamus Var. angustatus Bess), by AEDA and SPME, J. Agric. Food Chem., 2004, 52, 26, 8099-8104, https://doi.org/10.1021/jf040239p . [all data]

Gauvin, Ravaomanarivo, et al., 2004
Gauvin, A.; Ravaomanarivo, H.; Smadja, J., Comparative analysis by gas chromatography?mass spectrometry of the essential oils from bark and leaves of Cedrelopsis grevei Baill, an aromatic and medicinal plant from Madagascar, J. Chromatogr. A, 2004, 1029, 1-2, 279-282, https://doi.org/10.1016/j.chroma.2003.12.012 . [all data]

Jiang and Kubota, 2004
Jiang, L.; Kubota, K., Differences in the volatile components and their odor characteristics of green and ripe fruits and dried pericarp of Japanese pepper (Xanthoxylum piperitum DC.), J. Agric. Food Chem., 2004, 52, 13, 4197-4203, https://doi.org/10.1021/jf030663a . [all data]

Lopez Arze, Collin, et al., 2004
Lopez Arze, J.B.; Collin, G.; Garneau, F.-X.; Jean, F.-I.; Gagnon, H., Essential oils from Bolivia. II. Asteraceae: Ophryosporus heptanthus (Wedd.) H. Rob. et King, J. Essent. Oil Res., 2004, 16, 4, 374-376, https://doi.org/10.1080/10412905.2004.9698747 . [all data]

Lourens, Reddy, et al., 2004
Lourens, A.C.U.; Reddy, D.; Baser, K.H.C.; Viljoen, A.M.; Van Vuuren, S.F., In vitro Biological Activity and Essential Oil Composition of Four Indigenous South Africal Helichrysum Species, J. Ethnopharmacol., 2004, 95, 2-3, 253-258, https://doi.org/10.1016/j.jep.2004.07.027 . [all data]

Orav, Stulova, et al., 2004
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Palá-Paúl, Brophy, et al., 2004
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Notes

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