Benzene, 1-(1,5-dimethyl-4-hexenyl)-4-methyl-

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 Polydimethyl siloxane with 5 % PhDB-5 MSDB-5Elite-5 MSHP-5
Column length (m) 30.30.30.30.30.
Carrier gas HeliumHeliumNitrogenHeliumHelium
Substrate      
Column diameter (mm)  0.250.250.250.252
Phase thickness (μm)  0.25 0.250.25
Tstart (C) 80.60.60.40.60.
Tend (C) 200.270.250.220.240.
Heat rate (K/min) 5.3.4.4.3.
Initial hold (min)   1.  
Final hold (min) 25. 10.  
I 1483.1480.1475.1510.1481.
ReferencePriya, Prathapan, et al., 2012Cui, Yang, et al., 2011Yousefzadi, Heidari, et al., 2011Baharum, Bunawan, et al., 2010Cavar, Maksimovic, et al., 2010
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase RTX-1DB-5HP-5 MSDB-5OV-101
Column length (m) 60.30.30.30.50.
Carrier gas HeliumHeliumHeliumHeliumHelium
Substrate      
Column diameter (mm) 0.220.250.250.250.25
Phase thickness (μm) 0.250.250.250.250.25
Tstart (C) 60.50.70.60.70.
Tend (C) 230.250.290.240.220.
Heat rate (K/min) 2.2.5.3.2.
Initial hold (min)      
Final hold (min) 30.    
I 1473.1481.1488.1479.1484.
ReferenceDib, Djabou, et al., 2010Ho, Wang, et al., 2010Lazarevic, Radulovic, et al., 2010Magalhaes, Lima, et al., 2010Benites, Moiteiro, et al., 2009
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase HP-5RTX-1RTX-1HP-5 MSUltra 2
Column length (m) 25.60.60.30.50.
Carrier gas HeliumHeliumHeliumHeliumHelium
Substrate      
Column diameter (mm) 0.200.220.220.250.20
Phase thickness (μm) 0.330.250.250.250.11
Tstart (C) 60.60.60.50.60.
Tend (C) 240.230.230.280.230.
Heat rate (K/min) 3.2.2.4.2.
Initial hold (min)     5.
Final hold (min) 7.30.30. 30.
I 1483.1473.1473.1486.1483.
ReferenceMaridass, 2009Museli, Pau, et al., 2009Museli, Pau, et al., 2009Zhao, Zeng, et al., 2009Byun and Shin, 2008
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase RTX-1HP-5 MSHP-5MSHP-5 MSHP-5MS
Column length (m) 60.30.30.30.30.
Carrier gas HeHeliumHeHeliumHe
Substrate      
Column diameter (mm) 0.220.250.250.320.25
Phase thickness (μm) 0.250.250.250.250.25
Tstart (C) 60.60.60.60.60.
Tend (C) 230.250.240.280.250.
Heat rate (K/min) 2.2.3.4.2.
Initial hold (min)  8. 5.8.
Final hold (min) 35.15.  15.
I 1467.1481.1493.1479.1480.
ReferencePaolini, Tomi, et al., 2008Sahraoui, Vian, et al., 2008Argyropoulou, Daferera, et al., 2007Capetanos, Saroglou, et al., 2007Ferhat, Tigrine-Kordjani, et al., 2007
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase 5 % Phenyl methyl siloxaneCol-Elite 5MSDB-5AT-5DB-5
Column length (m) 60.30.30.60.30.
Carrier gas HeHeHeHeliumHe
Substrate      
Column diameter (mm) 0.250.250.250.250.25
Phase thickness (μm) 0.250.250.250.250.25
Tstart (C) 90.30.40.60.60.
Tend (C) 225.246.240.260.240.
Heat rate (K/min) 3.3.3.4.2.
Initial hold (min)      
Final hold (min) 15.    
I 1483.1492.1477.1487.1477.
ReferenceGil A., Van Baren C.M., et al., 2007Gudaityte and Venskutonis R.P., 2007Machado, Bastos, et al., 2007Meccia, Rojas, et al., 2007Miyazawa and Tamura, 2007
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-5Methyl SiliconeDB-1SPB-5BPX-5
Column length (m) 30.50.50.30.50.
Carrier gas HeliumHeliumHeHeHe
Substrate      
Column diameter (mm) 0.250.250.250.250.22
Phase thickness (μm) 0.25 0.250.251.
Tstart (C) 60.50.95.50.50.
Tend (C) 300.240.240.250.300.
Heat rate (K/min) 3.3.4.2.4.
Initial hold (min)     1.
Final hold (min)     10.
I 1452.1481.1479.1480.1505.
ReferenceMoreno, Lima, et al., 2007Ozcan and Chalchat, 2007Pala-Paul, Brophy, et al., 2007Raal, Orav, et al., 2007Rali, Wossa, et al., 2007
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase HP-5 MSHP-5MSHP-5HP-1DB-5
Column length (m) 30.30.25.50.30.
Carrier gas HeliumHeHeHe 
Substrate      
Column diameter (mm) 0.250.250.250.20.25
Phase thickness (μm) 0.250.250.250.330.25
Tstart (C) 60.40.50.60.40.
Tend (C) 280.260.300.250.210.
Heat rate (K/min) 3.4.5.2.2.
Initial hold (min)   5. 2.
Final hold (min)    40.33.
I 1481.1479.21480.1465.1487.
ReferenceVagionas, Graikou, et al., 2007Zizovic, Stamenic, et al., 2007Champagnat, Figueredo, et al., 2006Filippi, Lanfranchi, et al., 2006Garneau F.X., Collin G., et al., 2006
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase CP Sil 5 CBDB-5BP-1DB-5MSHP-5
Column length (m) 30.30.50.30.30.
Carrier gas  HeliumHeHeHelium
Substrate      
Column diameter (mm) 0.250.250.220.250.32
Phase thickness (μm) 0.250.250.250.250.25
Tstart (C) 40.60.60.60.40.
Tend (C) 220.260.220.280.240.
Heat rate (K/min) 3.3.2.3.4.
Initial hold (min)      
Final hold (min) 3. 20.30.5.
I 1481.1481.1462.1460.1475.
ReferenceHymete, Rohloff, et al., 2006Javidnia, Miri, et al., 2006Lesueur, Ban, et al., 2006Maronigiu, Piras, et al., 2006Miyazawa and Kawata, 2006
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase NB-30DB-1HP-5MSDB-5DB-5
Column length (m) 30.50.30.30.30.
Carrier gas HeN2HeHydrogenHe
Substrate      
Column diameter (mm) 0.20.250.250.250.25
Phase thickness (μm) 0.250.250.250.250.25
Tstart (C) 50.95.40.120.40.
Tend (C) 250.240.260.180.250.
Heat rate (K/min) 2.4.4.2.4.
Initial hold (min)     2.
Final hold (min)     10.
I 1470.1472.1488.1468.1480.
ReferenceOrav, Raal, et al., 2006Pala-Paul J., Perez-Alonso M.J., et al., 2006Petrovic, Ristic, et al., 2006Pripdeevech, Wongpornchai, et al., 2006Shen X., Gao Y., et al., 2006
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-5DB-1BPX-5HP-5DB-5
Column length (m) 30.50.50.25.30.
Carrier gas N2N2 HeHe
Substrate      
Column diameter (mm) 0.250.250.220.20.25
Phase thickness (μm) 0.250.251.0.330.25
Tstart (C) 60.90.70.60.60.
Tend (C) 240.240.280.240.300.
Heat rate (K/min) 4.4.4.3.3.
Initial hold (min)     3.
Final hold (min)   4.7. 
I 1477.1453.1509.1481.1477.
ReferenceTrilles, Bombarda, et al., 2006Velasco-Negueruela, Pérez-Alonso, et al., 2006Wohlmuth, Smith, et al., 2006Duarte, Figueira, et al., 2005Ferraz, Limberger, et al., 2005
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-5MSHP-5MSCP Sil 5 CBHP-5HP-5MS
Column length (m) 30.30.25.30.30.
Carrier gas He  HeHe
Substrate      
Column diameter (mm) 0.250.250.250.250.25
Phase thickness (μm) 0.250.250.150.250.25
Tstart (C) 60.50.50.70.60.
Tend (C) 280.250.230.240.280.
Heat rate (K/min) 3.3.3.5.3.
Initial hold (min) 30.10.   
Final hold (min)  5.   
I 1459.1486.1472.1488.1483.
ReferenceMarongiu, Piras, et al., 2005Melkani, Dev, et al., 2005Olawore, Ogunwande, et al., 2005Oyedeji, Yani, et al., 2005Slavkovska, Couladis, et al., 2005
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase HP-5DB-1SPB-5RTX-1DB-5
Column length (m) 30.50.60.30.30.
Carrier gas HeliumN2HeN2He
Substrate      
Column diameter (mm) 0.320.250.320.250.25
Phase thickness (μm) 0.250.251.0.250.25
Tstart (C) 40.90.60.60.60.
Tend (C) 300.240.200.300.300.
Heat rate (K/min) 4.4.4.4.3.
Initial hold (min)      
Final hold (min) 5. 30.  
I 1477.1453.1491.1473.1477.
ReferenceUtsunomia, Kawata, et al., 2005Velasco-Negueruela, Pérez-Alonso, et al., 2005Gauvin, Ravaomanarivo, et al., 2004Kalemba and Thiem, 2004Limberger, Sobral, et al., 2004
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-5DB-5DB-5HP-5HP-5
Column length (m) 30.30.50.25.25.
Carrier gas  HeliumHeliumN2H2
Substrate      
Column diameter (mm) 0.250.250.250.20.32
Phase thickness (μm) 0.25  0.50.52
Tstart (C) 40.60.60.30.40.
Tend (C) 210.240.240.280.240.
Heat rate (K/min) 2.2.2.3.4.
Initial hold (min) 2.    
Final hold (min) 33.999.999.  
I 1488.1477.1477.1498.1483.
ReferenceLopez Arze, Collin, et al., 2004Miyazawa, Fuhita, et al., 2004Miyazawa, Fujita, et al., 2004Shafi, Nambiar, et al., 2004Simic, Sokovic, et al., 2004
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase HP-5MSDB-5HP-1RSL-200DB-5
Column length (m) 30.30.30.30.50.
Carrier gas HeHeHeH2He
Substrate      
Column diameter (mm) 0.250.250.250.320.2
Phase thickness (μm) 0.250.250.250.250.25
Tstart (C) 60.60.70.40.50.
Tend (C) 275.240.200.280.220.
Heat rate (K/min) 4.4.10.6.3.
Initial hold (min)    5.2.
Final hold (min)    5.10.
I 1483.1483.1474.1471.1487.
ReferenceAfsharypuor and Jahromy, 2003Cabanillas, Lopez, et al., 2003Fekam Boyom, Amvam Zollo, et al., 2003Jirovetz, Buchbauer, et al., 2003Juteau, Jerkovic, et al., 2003
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-5MSHP-5DB-1DB-5HP-5
Column length (m) 30.30.60.30.60.
Carrier gas HeHeHeHe 
Substrate      
Column diameter (mm) 0.250.250.250.250.25
Phase thickness (μm) 0.250.250.250.250.25
Tstart (C) 60.60.50.60.40.
Tend (C) 240.280.280.240.250.
Heat rate (K/min) 3.3.4.3.5.
Initial hold (min)     15.
Final hold (min)      
I 1484.1461.1466.1485.1483.
ReferenceMaia, Taveira, et al., 2003Pitarokili, Tzakou, et al., 2003Shahmir, Ahmadi, et al., 2003da Silva, Luz, et al., 2003Stashenko, Jaramillo, et al., 2003
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase HP-5Cross-Linked MethylsiliconeDB-5OV-101CP Sil 8 CB
Column length (m) 60.25.30.25.30.
Carrier gas  HeHe He
Substrate      
Column diameter (mm) 0.250.20.250.320.25
Phase thickness (μm) 0.250.330.25 0.25
Tstart (C) 40.70.60.50.50.
Tend (C) 250.250.240.200.220.
Heat rate (K/min) 5.4.3.5.3.
Initial hold (min) 15.   2.
Final hold (min)      
I 1482.1453.1485.1494.1485.
ReferenceStashenko, Jaramillo, et al., 2003Velasco-Negueruela, Pérez-Alonso, et al., 2003Zoghbi, Andrade, et al., 2003Boyom, Keumedjio, et al., 2002Juteau, Masotti, et al., 2002
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-5MSDB-5DB-5DB-1DB-5MS
Column length (m) 30.30.25.50.30.
Carrier gas HeHeHeN2He
Substrate      
Column diameter (mm) 0.250.250.20.250.25
Phase thickness (μm) 0.250.25 0.250.25
Tstart (C) 60.60.60.95.60.
Tend (C) 240.300.220.240.240.
Heat rate (K/min) 3.2.3.4.3.
Initial hold (min)      
Final hold (min)      
I 1486.1474.1484.1453.1479.
ReferenceMaia, Zoghbi, et al., 2002Ruberto, Biondi, et al., 2002Schwob, Bessière, et al., 2002Velasco-Negueruela, Pérez-Alonso, et al., 2002Cherchi, Deidda, et al., 2001
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase SPB-5OV-1Optima-5CBP-1DB-1
Column length (m) 60.30.30.25.30.
Carrier gas HeH2HeNitrogenN2
Substrate      
Column diameter (mm) 0.320.320.20.250.25
Phase thickness (μm)  0.3 0.250.25
Tstart (C) 40.50.50.50.80.
Tend (C) 220.250.250.210.225.
Heat rate (K/min) 3.3.3.3.4.
Initial hold (min) 5.1.3.2. 
Final hold (min) 15.20.   
I 1483.1458.1487.1475.1456.
ReferenceCornu, Carnat, et al., 2001Gallori, Bilia, et al., 2001Jacquemond-Collet, Bessière, et al., 2001Ly, Yamauchi, et al., 2001Palá-Paúl, Pérez-Alonso, et al., 2001
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase CP Sil 5 CBRTX-1Ultra-2OV-101DB-1
Column length (m) 25.30.50.25.50.
Carrier gas HeN2  He
Substrate      
Column diameter (mm) 0.250.250.320.320.25
Phase thickness (μm) 0.40.25  0.25
Tstart (C) 60.60.32.50.70.
Tend (C) 260.300.250.200.240.
Heat rate (K/min) 5.4.4.5.4.
Initial hold (min) 40. 5.  
Final hold (min)      
I 1467.1475.1466.1475.1457.
ReferenceBaser, Özek, et al., 2000Kalemba, 1999Khalilov L.M., Khalilova A.Z., et al., 1999Kuiate, Zollo, et al., 1999Palá-Paúl, Pérez-Alonso, et al., 1999
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase CP Sil 5 CBSE-30OV-101DB-5CP Sil 5 CB
Column length (m) 25.25.25.30.25.
Carrier gas N2He HeN2
Substrate      
Column diameter (mm)  0.20.320.320.32
Phase thickness (μm) 0.39   0.25
Tstart (C) 60.60.50.60.50.
Tend (C) 220.180.200.250.290.
Heat rate (K/min) 5.3.5.3.4.
Initial hold (min)  10.   
Final hold (min)      
I 1473.1475.1478.1483.1464.
ReferenceWeyerstahl, Marschall, et al., 1999Jantan, Ahmad, et al., 1998Zollo, Biyiti, et al., 1998Abreu and Noronha, 1997Bos, Woerdenbag, et al., 1997
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase CP Sil 5 CBCP Sil 5 CBDB-5DB-5DB-1
Column length (m) 25.25.30.30.60.
Carrier gas N2HeHe He
Substrate      
Column diameter (mm) 0.320.250.250.250.32
Phase thickness (μm) 0.250.250.250.250.50
Tstart (C) 50.60.65.60.50.
Tend (C) 290.300.300.300.250.
Heat rate (K/min) 4.6.4.4.8.
Initial hold (min)   2.2.1.
Final hold (min)    5.6.
I 1464.1464.1463.1476.21476.
ReferenceBos, Woerdenbag, et al., 1997Bos, Woerdenbag, et al., 1997, 2Elias, Simoneit, et al., 1997Gawdzik, Mardarowicz, et al., 1996Sagrero-Nieves and Bartley, 1996
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase HP-101Methyl SiliconeMethyl SiliconeSE-54DB-1
Column length (m) 50.50.50.30. 
Carrier gas H2N2N2Hydrogen 
Substrate      
Column diameter (mm) 0.320.250.250.25 
Phase thickness (μm) 0.30.170.170.25 
Tstart (C) 65.80.80.60.50.
Tend (C) 300.200.200.250.230.
Heat rate (K/min) 2.2.3.2.4.
Initial hold (min) 5.  5. 
Final hold (min)    2.10.
I 1486.1475.1474.1479.1469.
ReferenceDemarne and van der Walt, 1993Gopalakrishnan, Menon, et al., 1993Gopalakrishnan, Menon, et al., 1993Kollmannsberger, Nitz, et al., 1992Binder, Turner, et al., 1990
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type Capillary
Active phase OV-1
Column length (m) 40.
Carrier gas He
Substrate  
Column diameter (mm) 0.5
Phase thickness (μm) 0.75
Tstart (C) 30.
Tend (C) 220.
Heat rate (K/min) 3.
Initial hold (min)  
Final hold (min)  
I 1470.
Referencede Pooter, de Buyck, et al., 1986
Comment 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.

Priya, Prathapan, et al., 2012
Priya, R.; Prathapan, A.; Raghu, K.G.; Menon, A.N., Chemical composition and in vitro antioxidative potential of essential oil isolated from Curcuma longa L. leaves, Asian Pacific Journal of Tropical Biomedicine, 2012, 2, 2, s695-s699, https://doi.org/10.1016/S2221-1691(12)60298-6 . [all data]

Cui, Yang, et al., 2011
Cui, J.; Yang, X.; Dong, A.-J.; Cheng, D.-Y.; Wang, J.; Zhao, H.-T.; Xu, R.-B.; Wang, P.; Li, W.-J., Chemical composition and antioxidant activity of Wuphorbia fischeriana essential oil from China, J. Med. Plants Res., 2011, 5, 19, 4894-4798. [all data]

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Yousefzadi, M.; Heidari, M.; Akbarpour, M.; Mirjalili, M.H.; Zainali, A.; Parsa, M., in vitro cytotoxic activity of the essential oil of Dorema ammoniacum D. Don., Middle-East J. Sci. Res., 2011, 7, 4, 511-514. [all data]

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Baharum, S.N.; Bunawan, H.; Ghani, M.A.; Mustafa, W.A.W.; Noor, N.M., Analysis of the chemical composition of the essential oil of Polygonum minus Huds. using two-dimensional gas chromatography - time of flight mass spectrometry (GC-TOF-MS), Molecules, 2010, 15, 10, 7006-7015, https://doi.org/10.3390/molecules15107006 . [all data]

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Lazarevic, J.; Radulovic, N.; Palic, R.; Zlatkovic, B., Chemical Analusis of volatile constituents of Berula erecta (Hudson) Coville subsp. erecta (Apiaceae) from Serbia, J. Essential Oil. Res., 2010, 22, 3, 153-156, https://doi.org/10.1080/10412905.2010.9700290 . [all data]

Magalhaes, Lima, et al., 2010
Magalhaes, L.A.M.; Lima, M. daP.; Marques, M.O.M.; Facanali, R.; Pinto, A.C. daS.; Tadei, W.P., Chemical composition and larvicidal activity against Aedes aegypti Larvae of essential oils from four Guarea species, Molecules, 2010, 15, 8, 5734-5741, https://doi.org/10.3390/molecules15085734 . [all data]

Benites, Moiteiro, et al., 2009
Benites, J.; Moiteiro, C.; Miguel, G.; Rojo, L.; Lopez, J.; Venancio, F.; Ramalho, L.; Feio, S.; Dandlen, S.; Casanova, H.; Torres, I., Composition and biological activity of the essential oil of Peruvial Lantana camara, J. Chilean Chem. Soc., 2009, 54, 4, 379-384, https://doi.org/10.4067/S0717-97072009000400012 . [all data]

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Zhao, Zeng, et al., 2009
Zhao, C.; Zeng, Y.; Wan, M.; Li, R.; Liang, Y.; Li, C.; Zeng, Z.; Chau, F.-T., Comparative analysis of essential oils from eight herbal medicines with pungent flavor and cool nature by GC-MS and chemometric resolution methods, J. Sep. Sci., 2009, 32, 4, 660-670, https://doi.org/10.1002/jssc.200800484 . [all data]

Byun and Shin, 2008
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Notes

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