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(1R,3E,7E,11R)-1,5,5,8-Tetramethyl-12-oxabicyclo[9.1.0]dodeca-3,7-diene


Normal alkane RI, non-polar column, custom temperature program

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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 % Ph groupsHP-5Optima-5MSRTX-5RTX-5
Column length (m) 30.25.30.30.30.
Carrier gas HeliumHydrogenHeliumNitrogenNitrogen
Substrate      
Column diameter (mm) 0.250.320.320.250.25
Phase thickness (mum) 0.250.520.250.250.25
Program 50 0C 4 0C/min -> 200 0C (5 min) 20 0C/min -> 280 0Cnot specified40 0C (5 min) 5 0C/min -> 230 0C 30 0C/min -> 280 0C (5 min)60 0C 95 min) 110 0C 3 0C/min -> 200 0C 5 0C/min -> 220 0C 95 min)not specified
I 1608.1608.1604.1615.1614.
Referenceda Silva, de Souza, et al., 2012Velickovic, Ristic, et al., 2012HEuskin, Godin, et al., 2009Leela, Vipin, et al., 2009Leela, Vipin, et al., 2009
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase CP Sil 8 CBSLB-5 MSHP-5MSElite-1CBP-5
Column length (m) 30.30.30.30.30.
Carrier gas  HeliumHeHeliumHe
Substrate      
Column diameter (mm) 0.250.250.250.320.25
Phase thickness (mum) 0.250.250.250.250.25
Program 60C => 2.5C/min => 170C => 10C/min => 250C (5min)not specified40 0C (2 min) 3 0C/min -> 180 0C (2 min) 15 0C -> 280 0Cnot specified60C(2min) => 3C/min => 240C => 10C/min => 300C
I 1606.1608.1583.1608.1603.
ReferenceKristiawan, Sobolik, et al., 2008Lo Presti, Sciarrone, et al., 2008Ning, Zheng, et al., 2008Raj, Baby, et al., 2008Cheriti, Saad, et al., 2007
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase HP-5MSHP-5HP-5 MSHP-5MSCP Sil 8 CB
Column length (m) 30.30.30.30.30.
Carrier gas He HeliumHeHe
Substrate      
Column diameter (mm) 0.250.250.250.250.25
Phase thickness (mum) 0.250.250.250.250.25
Program 40C(10min) => 3C/min => 200C => 2C/min => 220C75C(4min) => 5C/min => 135C => 1C/min => 220C => 10C/min => 280C40 0C (10 min) 3 0C/min -> 200 0C 2 0C/min -> 220 0C40C(5min) => 2C/min => 250C(15min) => 10C/min => 270C50C(3min) => 3C/min => 100C => 2.7C/min => 140C => 2.4C/min => 180C => 6C/min => 250C
I 1607.1602.1607.1605.1611.
ReferenceCole, Haber, et al., 2007Duschatzky, Almeida, et al., 2007Eason and Setzer, 2007Formisano, Mignola, et al., 2007Meekijjaroenroj, Bessière, et al., 2007
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase CP Sil 8 CBHP-5HP-5 MSHP-5MSHP-5MS
Column length (m) 50.30.30.30.30.
Carrier gas HeliumHeliumHeliumHeHe
Substrate      
Column diameter (mm) 0.320.250.250.250.25
Phase thickness (mum) 0.250.25  0.25
Program 60 0C (2 min) 5 0C/min -> 160 0C (1 min) 10 0C/min -> 280 0C (3 min)not specified40 0C (10 min) 3 oC/min -> 200 0C 2 0C/min -> 220 0C40C(10min) => 3C/min => 200C => 2C/min => 220C40C(5min) => 2C/min => 250C(15min) => 10C/min => 270C
I 1608.1608.1605.1607.1605.
ReferenceRadusiene, Judzentiene, et al., 2007Ristic, Krivokuca-Dokic, et al., 2007Setzer, Stokes, et al., 2007Takaku, Haber, et al., 2007Formisano C., Senatore F., et al., 2006
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase CP Sil 8 CBCP Sil 8 CBHP-5 MSHP-5 MSHP-5MS
Column length (m) 50.50.30.30.30.
Carrier gas HeHeHeliumHeliumHe
Substrate      
Column diameter (mm) 0.320.320.250.250.25
Phase thickness (mum) 0.250.250.250.250.25
Program 60C(2min) => 5C/min => 160C(1min) => 10C/min => 250C (5min)60 0C (2 min) 5 0C/min -> 160 0C 10 0C/min -> 250 0C (5 min)40 0C (10 min) 3 0C/min -> 200 0C 2 0C/min -> 220 0C40 0C (10 min) 3 0C/min -> 200 0C 2 0C/min -> 220 0C40C(5min) => 2C/min => 250C (15min) => 10C/min => 270C
I 1608.1608.1608.1608.1605.
ReferenceJudzentiene and Buzelyte, 2006Mockute, Bernotiene, et al., 2006Schmidt, Noletto, et al., 2006Schmidt, Noletto, et al., 2006Senatore, Apostolides Arnold, et al., 2006
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-5SE-52DB-5MSCP Sil 8 CBDB-5
Column length (m) 30.30.30.50.30.
Carrier gas HeHe HeHe
Substrate      
Column diameter (mm) 0.320.320.250.320.25
Phase thickness (mum) 0.250.150.250.250.25
Program 60C => 2C/min => 100C => 3C/min => 160C => 5C/min => 280C45C => 1C/min => 100C => 5C/min => 250C (10min)70C(2min) => 10C/min => 150C(15min) => 5C/min => 240C50C(5min) => 2C/min => 90C => 15C/min => 240C(4min)40C(1min) => 9C/min => 130C => 2C/min => 230C
I 1607.1608.1580.1608.1607.
ReferenceSrivastava, Mallavarapu, et al., 2006Tognolini, Barocelli, et al., 2006Bagci and Baser, 2005Butkienë, Nivinskienë, et al., 2005Hamm, Bleton, et al., 2005
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase CP Sil 8 CBCP Sil 8 CBHP-5DB-5CP-Sil 8CB-MS
Column length (m) 50.50.30.30.50.
Carrier gas HeHe He 
Substrate      
Column diameter (mm) 0.320.320.250.250.32
Phase thickness (mum) 0.250.250.250.25 
Program 60C(2min) => 5C/min => 160C(1min) => 10C/min => 250C (3min)50C(5min) => 2C/min => 90C => 15C/min => 240C(4min)40C(5min) => 2C/min => 250C(15min) => 10C/min => 270C40C (1min) => 9C/min => 130C => 2C/min => 230C60C(1min) => 3C/min => 70C => 15C/min => 170C(8min) => 5C/min => 250C
I 1608.1608.1605.1607.1606.
ReferenceRadudienë, Judpintienë, et al., 2005Butkienë, Nivinskienë, et al., 2004Senatore, Apostolides Arnold, et al., 2004Hamm, Lesellier, et al., 2003Mockute, Bernotiene, et al., 2003
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase CP Sil 8 CBDB-1CP Sil 5 CBCP Sil 5 CBCP Sil 5 CB
Column length (m) 50.30.25.25.25.
Carrier gas HeHeHeN2N2
Substrate      
Column diameter (mm) 0.320.250.39  
Phase thickness (mum) 0.250.1  0.39
Program 60C(1min) => 5C/min => 160C => 10C/min => 250C(5min)35C => 4C/min => 180C => 10C/min => 250Cnot specifiednot specifiednot specified
I 1606.1586.1598.1559.1598.
ReferenceMockute, Nivinskiene, et al., 2003Silva, Matos, et al., 2003Weyerstahl, Marschall, et al., 1999Phan, Van, et al., 1998Weyerstahl, Marschall, et al., 1998
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillary
Active phase CP Sil 5 CBDB-5
Column length (m) 25.30.
Carrier gas N2He
Substrate   
Column diameter (mm)  0.25
Phase thickness (mum) 0.390.25
Program not specified60C => 3C/min => 240C => 30C/min => 300C
I 1599.1603.
ReferenceWeyerstahl, Marschall, et al., 1998, 2Yusuf, Begum, et al., 1998
Comment MSDC-RI MSDC-RI

References

Go To: Top, Normal alkane RI, non-polar column, custom temperature program, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

da Silva, de Souza, et al., 2012
da Silva, A.C.; de Souza, P.E.; Machado, J. daC.; da Silva, B.M.; Pinto, J.E.B.P., Effectiveness of essential oils in the treatment of Colletotrichum truncatum-infected soybean seeds, Tropical Plant Patology, 2012, 37, 5, 305-313, https://doi.org/10.1590/S1982-56762012000500001 . [all data]

Velickovic, Ristic, et al., 2012
Velickovic, D.T.; Ristic, M.S.; Karabegovic, I.T.; Stojicevic, S.S.; Lazic, M.L., The influence of the distillation method on the chemical composition of the essential oil of sage (Salvia officinalis L.), Advanced Technologies, 2012, 1, 1, 47-51. [all data]

HEuskin, Godin, et al., 2009
HEuskin, S.; Godin, B.; Leroy, P.; Quentin C.; Wathelet, J.-P.; Verheggen, F.; Haubruge, E.; Lognay, G., Fast gas chromatography characterization of purified semiochemicals from essential oils of Matricaria chamomilla L. (Asteraceae) and Nepeta cataria L. (Lamiaceae), J. Chromatorg. A., 2009, 1216, 14, 2768-2775, https://doi.org/10.1016/j.chroma.2008.09.109 . [all data]

Leela, Vipin, et al., 2009
Leela, N.K.; Vipin, T.M.; Shafeekh, K.M.; Priyanka, V.; Rema, J., Chemical composition of essential oils from aerial parts of Cinnamomum malabatrum (Burman f.) Bercht Presl., Flavor Fragr. J., 2009, 24, 1, 13-16, https://doi.org/10.1002/ffj.1910 . [all data]

Kristiawan, Sobolik, et al., 2008
Kristiawan, M.; Sobolik, V.; Al-Haddad, M.; Allaf, K., Effect of pressure-drop rate on the isolation of cananga oil using instantaneous controlled pressure-drop process, Chem. Eng. Processing, 2008, 47, 1, 66-75, https://doi.org/10.1016/j.cep.2007.08.011 . [all data]

Lo Presti, Sciarrone, et al., 2008
Lo Presti, M.; Sciarrone, D.; Crupi, M.C.; Costa, R.; Ragusa, S.; Dugo, G.; Mondello, L., Evaliation of the volatile and chiral composition in Pistacia lentiscus L. essential oil, Flavour Fragr. J., 2008, 23, 4, 249-257, https://doi.org/10.1002/ffj.1878 . [all data]

Ning, Zheng, et al., 2008
Ning, H.; Zheng, F.; Sun, B.; Xie, J.; Liu, Y., Solvent-free microwave extraction of essential oil from Zanthoxylum bungeanum Maxim., Food Environ. Ind. (Chinese), 2008, 34, 5, 179-184. [all data]

Raj, Baby, et al., 2008
Raj, G.; Baby, S.; Dan, M.; Thaha, A.R.M.; Sethuraman, M.G.; George, V., Volatile constituents from the rhisomes of Curcuma haritha Mangaly and Sabu from Sauthern India, Flavour Fragr. J., 2008, 23, 5, 348-352, https://doi.org/10.1002/ffj.1891 . [all data]

Cheriti, Saad, et al., 2007
Cheriti, A.; Saad, A.; Belboukhari, N.; Ghezali, S., The essential oil composition of Bubonium graveolens (Forssk.) Maire from the algerian Sahara, Flavour Fragr. J., 2007, 22, 4, 286-288, https://doi.org/10.1002/ffj.1794 . [all data]

Cole, Haber, et al., 2007
Cole, R.A.; Haber, W.A.; Setzer, W.N., Chemical composition of essential oils of seven species of Eugenia from Monteverde, Costa Rica, Biochem. Syst. Ecol., 2007, 35, 12, 877-886, https://doi.org/10.1016/j.bse.2007.06.013 . [all data]

Duschatzky, Almeida, et al., 2007
Duschatzky, C.B.; Almeida, N.V.; Possetto, M.; Michis, F.; Scappini, E.; Lampasona, M.P.; Shuff, C., Essential oil composition of Heterothalamus alienus (Spreng.) Kuntze (Romerillo) from Argentina. Effect of harvesting period on the essential oil composition, Flavour Fragr. J., 2007, 22, 1, 39-41, https://doi.org/10.1002/ffj.1747 . [all data]

Eason and Setzer, 2007
Eason, H.M.; Setzer, W.N., BArk essential oil composition of Cedrela tinduzii C. DC. (Meliaceae) from Monteverde, Costa Rica, Rec. NAt. Prod., 2007, 1, 2-3, 24-27. [all data]

Formisano, Mignola, et al., 2007
Formisano, C.; Mignola, E.; Rigano, D.; Senatore, F.; Bellone, G.; Bruno, M.; Rosselli, S., Chemical composition and antimicrobial activity of the essential oil from aerial parts of Micromeria fruticulosa (Bertol.) Grande (Lamiaceae) growing wild in Southern Italy, Flavour Fragr. J., 2007, 22, 4, 289-292, https://doi.org/10.1002/ffj.1795 . [all data]

Meekijjaroenroj, Bessière, et al., 2007
Meekijjaroenroj, A.; Bessière, J.-M.; Anstett, M.-C., Chemistry of floral scents in four Licuala species (Arecaceae), Flavour Fragr. J., 2007, 22, 4, 300-310, https://doi.org/10.1002/ffj.1797 . [all data]

Radusiene, Judzentiene, et al., 2007
Radusiene, J.; Judzentiene, A.; Peciulyte, D.; Janulis, V., Essential Oil Composition and Antimicrobial Assay of Acorus calamus Leaves from Different Wild Populations, Plant Genetic Resources: Characterization and Utilization, 2007, 5, 1, 37-44, https://doi.org/10.1017/S1479262107390928 . [all data]

Ristic, Krivokuca-Dokic, et al., 2007
Ristic, M.; Krivokuca-Dokic, D.; Radanovic, D.; Nastovski, T., Etarsko ulje Arnica montata i Arnica chamissonis, Hem. Ind., 2007, 61, 5, 272-277, https://doi.org/10.2298/HEMIND0704272R . [all data]

Setzer, Stokes, et al., 2007
Setzer, W.N.; Stokes, S.L.; Penton, A.F.; Takaku, S.; Haber, W.A.; Hansell, E.; Caffrey, C.R.; McKerrow, J.H., Cruzain inhibitory activity of leaf essential oils of neotropical Lauraceae and essential oil components, Natural Product Communications, 2007, 2, 12, 1203-1210. [all data]

Takaku, Haber, et al., 2007
Takaku, S.; Haber, W.A.; Setzer, W.N., Leaf essential oil composition of 10 species of Ocotea (Lauraceae) from Monteverde, Costa Rica, Biochem. Syst. Ecol., 2007, 35, 8, 525-532, https://doi.org/10.1016/j.bse.2007.02.003 . [all data]

Formisano C., Senatore F., et al., 2006
Formisano C.; Senatore F.; Bruno M.; Bellone G., Chemical composition and antimicrobial activity of the essential oil of Phlomis ferruginea Ten. (Lamiaceae) growing wild in Southern Italy, Flavour Fragr. J., 2006, 21, 5, 848-851, https://doi.org/10.1002/ffj.1740 . [all data]

Judzentiene and Buzelyte, 2006
Judzentiene, A.; Buzelyte, J., Chemical composition of essential oils of Artemisia vulgaris L. (mugwort) from North Lithuania, Chemija, 2006, 17, 1, 12-15. [all data]

Mockute, Bernotiene, et al., 2006
Mockute, D.; Bernotiene, G.; Judzentiene, A., Germacrene D chemotype of essential oils of Leonurus cardiaca L. growing wild in Vilnus district (Lithuania), J. Essent. Oil Res., 2006, 18, 5, 566-568, https://doi.org/10.1080/10412905.2006.9699169 . [all data]

Schmidt, Noletto, et al., 2006
Schmidt, J.M.; Noletto, J.A.; Vogler, B.; Setzer, W.N., Abaco Bush Medicine: Chemical composition of the essential oils of four aromatic medicinal plants from Abaco Island, Bahamas, J. Herbs, Spices Medicinal Plants, 2006, 12, 3, 43-65, https://doi.org/10.1300/J044v12n03_04 . [all data]

Senatore, Apostolides Arnold, et al., 2006
Senatore, F.; Apostolides Arnold, N.; Piozzi, F.; Formisano, C., Chemical composition of the essential oil of Salvia microstegia Boiss. et Balansa growing wild in Lebanon, J. Chromatogr. A, 2006, 1108, 2, 276-278, https://doi.org/10.1016/j.chroma.2006.01.066 . [all data]

Srivastava, Mallavarapu, et al., 2006
Srivastava, S.; Mallavarapu, G.R.; Rai, S.K.; Singh, D.; Mishra, R.; Pandey-Rai, S.; Kumar, S., Composition of the essential oils of the leaves and flowers of Rhus mysurensis Heyne ex Wight Arn growing in the Aravalli mountain range at New Delhi, Flavour Fragr. J., 2006, 21, 2, 228-229, https://doi.org/10.1002/ffj.1561 . [all data]

Tognolini, Barocelli, et al., 2006
Tognolini, M.; Barocelli, E.; Ballabeni, V.; Bruni, R.; Bianchi, A.; Chiavarini, M.; Impicciatore, M., Comparative screening of plant essential oils: Phenylpropanoid moiety as basic core for antiplatelet activity, Life Sciences, 2006, 78, 13, 1419-1432, https://doi.org/10.1016/j.lfs.2005.07.020 . [all data]

Bagci and Baser, 2005
Bagci, E.; Baser, K.H.C., Study of the essential oils of Thymus haussknechtii Velen and Thymus kotschyanus Boiss. et Hohen var. kotschyanus (Lamiaceae) taxa from the eastern Anatolian region in Turkey, Flavour Fragr. J., 2005, 20, 2, 199-202, https://doi.org/10.1002/ffj.1397 . [all data]

Butkienë, Nivinskienë, et al., 2005
Butkienë, R.; Nivinskienë, O.; Mockutë, D., «alpha»-Pinene chemotype of leaf (needle) essential oils of Juniperus communis L. growing wild in Vilnius district, Chemija, 2005, 16, 1, 53-60. [all data]

Hamm, Bleton, et al., 2005
Hamm, S.; Bleton, J.; Connan, J.; Tchapla, A., A chemical investigation by headspace SPME and GC-MS of volatile and semi-volatile terpenes in various olibanum samples, Phytochemistry, 2005, 66, 12, 1499-1514, https://doi.org/10.1016/j.phytochem.2005.04.025 . [all data]

Radudienë, Judpintienë, et al., 2005
Radudienë, J.; Judpintienë, A.; Peèiulytë, D.; Janulis, V., Chemical composition of essential oil and antimicrobial activity of Origanum vulgare, Biologija, 2005, 4, 53-58. [all data]

Butkienë, Nivinskienë, et al., 2004
Butkienë, R.; Nivinskienë, O.; Mockutë, D., Chemical composition of unripe and ripe berry essential oils of Juniperus communis L. growing wild in Vilnius district, Chemija, 2004, 15, 4, 57-63. [all data]

Senatore, Apostolides Arnold, et al., 2004
Senatore, F.; Apostolides Arnold, N.; Piozzi, F., Chemical composition of the essential oil of Salvia multicaulis Vahl. var. simplicifolia Boiss. growing wild in Lebanon, J. Chromatogr. A, 2004, 1052, 1-2, 237-240, https://doi.org/10.1016/j.chroma.2004.08.095 . [all data]

Hamm, Lesellier, et al., 2003
Hamm, S.; Lesellier, E.; Bleton, J.; Tchapla, A., Optimization of headspace solid phase microextraction for gas chromatography/mass spectrometry analysis of widely different volatility and polarity terpenoids in olibanum, J. Chromatogr. A, 2003, 1018, 1, 73-83, https://doi.org/10.1016/j.chroma.2003.08.027 . [all data]

Mockute, Bernotiene, et al., 2003
Mockute, D.; Bernotiene, G.; Judzentiene, A., Volatile compounds of the aerial parts of wild St. John's wort (Hypericum perforatum L.) plants, Chemija, 2003, 14, 3, 108-111. [all data]

Mockute, Nivinskiene, et al., 2003
Mockute, D.; Nivinskiene, O.; Bernotiene, G.; Butkiene, R., The cis-thujone chemotype of Salvia officinalis L. essential oils, Chemija, 2003, 14, 4, 216-220. [all data]

Silva, Matos, et al., 2003
Silva, M.G.V.; Matos, F.J.A.; Machado, M.I.L.; Craveiro, A.A., Essential oils of Ociumum basilicum L., O. basilicum. var. minimum L. and O. basilicum. var. purpurascens Benth. grown in north-eastern Brazil, Flavour Fragr. J., 2003, 18, 1, 13-14, https://doi.org/10.1002/ffj.1134 . [all data]

Weyerstahl, Marschall, et al., 1999
Weyerstahl, P.; Marschall, H.; Son, P.T.; Giang, P.M., Constituents of the flower essential oil of Aglaia odorata Lour. from Vietnam, Flavour Fragr. J., 1999, 14, 4, 219-224, https://doi.org/10.1002/(SICI)1099-1026(199907/08)14:4<219::AID-FFJ815>3.0.CO;2-# . [all data]

Phan, Van, et al., 1998
Phan, M.G.; Van, N.H.; Phan, T.S., Sesquiterpenoids fron the rhizomes of Curcuma aff. aeruginosa Roxb. of Vietnam, Tap chi Hoa hoc, 1998, 36, 3, 67-72. [all data]

Weyerstahl, Marschall, et al., 1998
Weyerstahl, P.; Marschall, H.; Seelmann, I.; Jakupovic, J., Cameroonane, Prenopsane and Nopsane, Three New Tricyclic Sesquiterpene Skeletons, Eur.J.Org.Chem., 1998, 1998, 6, 1205-1212, https://doi.org/10.1002/(SICI)1099-0690(199806)1998:6<1205::AID-EJOC1205>3.0.CO;2-K . [all data]

Weyerstahl, Marschall, et al., 1998, 2
Weyerstahl, P.; Marschall, H.; Thefeld, K.; Subba, G.C., Constituents of the essential oil from the rhizomes of Hedychium gardnerianum Roscoe, Flavour Fragr. J., 1998, 13, 6, 377-388, https://doi.org/10.1002/(SICI)1099-1026(199811/12)13:6<377::AID-FFJ755>3.0.CO;2-F . [all data]

Yusuf, Begum, et al., 1998
Yusuf, M.; Begum, J.; Mondello, L.; Stagno d'Alcontres, I.S., Studies on the essential oil bearing plants of Bangladesh. Part VI. Composition of the oil of Ocimum gratissimum L., Flavour Fragr. J., 1998, 13, 3, 163-166, https://doi.org/10.1002/(SICI)1099-1026(199805/06)13:3<163::AID-FFJ714>3.0.CO;2-1 . [all data]


Notes

Go To: Top, Normal alkane RI, non-polar column, custom temperature program, References