1,3-Cyclohexadiene, 1-methyl-4-(1-methylethyl)-

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Normal alkane RI, 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 Innowax FSCDB-WaxInnowax FSCInnowax FSCInnowax
Column length (m) 60.30.60.60.30.
Carrier gas HeliumHeliumHeliumHeliumHelium
Substrate      
Column diameter (mm) 0.250.250.250.250.25
Phase thickness (μm) 0.250.250.250.250.25
Program 60 0C (10 min) 4 0C/min -> 220 0C (10 min) 1 oC/min -> 240 0Cnot specified60 0C (10 min) 4 0C/min -> 220 0C (10 min) 1 0C/min -> 240 0C60 0C (10 min) 4 0C/min -> 220 0C (10 min) 1 0C/min -> 240 0Cnot specified
I 1188.1183.1188.1188.1186.
ReferenceAkin, Saracoglu, et al., 2012Zeng, Xie, et al., 2011Polatoglu, Demirci, et al., 2010Baser, Demirci, et al., 2009Aicha, Ines, et al., 2008
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase CP-Wax 52 CBCarbowax 20MInnowax FSCHP-InnowaxHP-Innowax
Column length (m) 50.30.60.30.30.
Carrier gas HeliumHeNitrogenHeHe
Substrate      
Column diameter (mm) 0.250.250.250.250.25
Phase thickness (μm) 0.290.250.250.250.25
Program 33 0C (1 min) 2 0C/min -> 130 0C 10 0C/min -> 220 0Cnot specified60 0C (10 min) 1 0C/min -> 220 0C (10 min) 1 0C/min -> 240 0C30C(5min) => 7C/min => 100C(5min) => 1C/min => 130C => 10C/min => 195C(45min)30C(5min) => 7C/min => 100C(5min) => 1C/min => 130C => 10C/min => 195C(45min)
I 1145.1188.1188.1178.1179.
ReferenceKaack and Christensen, 2008Hudaib and Aburjai, 2007Kaya, Benirci, et al., 2007Narain, Galvao, et al., 2007Narain, Galvao, et al., 2007
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase Innowax FSCHP Innowax FSPInnowax FSCHP-Innowax FSCHP-Innowax FSC
Column length (m) 60.60.60.60.60.
Carrier gas HeN2HeN2He
Substrate      
Column diameter (mm) 0.250.250.250.250.25
Phase thickness (μm) 0.250.250.250.250.25
Program 60C(10min) => 4C/min => 220C (10min) => 1C/min => 240C60C(10min) => 4C/min => 220C(10min) => 1C/min => 240C60C(10min) => 4C/min >220C (10min) => 1C/min => 240C60C(10min) => 4C/min => 220C(10min) => 1C/min => 240C60C(10min) => 4C/min => 220C (10min) => 1C/min => 240C
I 1188.1188.1188.1188.1188.
ReferenceTabanca, Demirci, et al., 2007Tabanca N., Demirci B., et al., 2007Baser, Özek, et al., 2006Demirci B., Baser K.H.C., et al., 2006Erdurak, Coskun, et al., 2006
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase HP-Innowax FSCCarbowax 20MHP-Innowax FSCHP-Innowax FSCHP-Innowax FSC
Column length (m) 60.25.60.60.60.
Carrier gas HeH2He N2
Substrate      
Column diameter (mm) 0.250.320.250.250.25
Phase thickness (μm) 0.250.250.250.250.25
Program 60C(10min) => 4C/min => 220C (10min) => 1C/min => 240C40C(8min) => 3C/min => 180C => 20C/min => 230C (10min)60(10min) => 4C/min => 220C(10min) => 1C/min => 240C60C(10min) => 4C/min => 220C (10min) => 1C/min => 240C60C(10min) => 4C/min => 220C => (10min) => 1C/min => 240C
I 1182.1154.1188.1188.1188.
ReferenceKürkçüoglu, Hüsnü Can Baser, et al., 2006Lorenzo, Loayza, et al., 2006Suleimenov Y.M., Atazhanova G.A., et al., 2006Tabanca, Demirci, et al., 2006Tabanca, Demirci, et al., 2006, 2
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase Innowax FSCSupelcowax-10HP-Innowax FSCHP-Innowax FSCHP-Innowax FSC
Column length (m) 60.30.60.60.60.
Carrier gas HeHeN2HeHe
Substrate      
Column diameter (mm) 0.250.250.250.250.25
Phase thickness (μm) 0.250.250.250.250.25
Program 60C(10min) => 4C/min => 220C (10min) => 1C/min => 240C40C(3min) => 4C/min => 75C => 8C/min => 260C(5min)60C(10min) => 4C/min => 220C (10min) => 1C/min => 240C60C(10min) => 4C/min => 220C(10min) => 1C/min => 240C60C(10min) => 4C/min => 220C(10min) => 1C/min => 240C
I 1188.1175.1188.1188.1188.
ReferenceTosun, Kürkcüoglu, et al., 2006Vichi, Guadayol, et al., 2006Demirci, Demirci, et al., 2005Tabanca, Demirci, et al., 2005Demirci, Paper, et al., 2004
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase HP-Innowax FSCHP-Innowax FSCInnowaxCarbowax 20MCarbowax 20M
Column length (m) 60.60.60.  
Carrier gas HeHeHe  
Substrate      
Column diameter (mm) 0.250.250.25  
Phase thickness (μm) 0.250.250.25  
Program 60C(10min) => 4C/min => 220C(10min) => 1C/min => 240C60C(10min) => 4C/min => 220C(10min) => 1C/min => 240C50C(10min) => 4C/min => 220C(10min) => 1C/min => 240Cnot specifiednot specified
I 1188.1188.1188.1186.1190.
ReferenceKivcak, Akay, et al., 2004Kivcak, Akay, et al., 2004Selli, Kürkçüoglu, et al., 2004Vinogradov, 2004Vinogradov, 2004
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase HP-Innowax FSCHP-Innowax FSCCarbowaxHP-Innowax FSCHP-Innowax FSC
Column length (m) 60.60. 60.60.
Carrier gas HeHe N2He
Substrate      
Column diameter (mm) 0.250.25 0.250.25
Phase thickness (μm) 0.250.25 0.250.25
Program 60C (10min) => 4C/min => 220C (10min) => 1C/min => 240C60C(10min) => 4C/min => 220C(10min) => 1C/min => 240Cnot specified60C(10min) => 4C/min => 220C(10min) => 1C/min => 240C60C(10min) => 4C/min => 220C(10min) => 1C/min => 240C(40min)
I 1188.1188.1179.1188.1188.
ReferenceDemirci, Baser, et al., 2003Demirci, Demirci, et al., 2003Edris, Shalaby, et al., 2003Kaya, Demirci, et al., 2003Kürkcüoglu, Demirci, et al., 2003
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase HP-FFAPHP-InnowaxHP-InnowaxInnowax FSCInnowax
Column length (m) 30.60.60.60.60.
Carrier gas He HeHeHe
Substrate      
Column diameter (mm) 0.250.250.250.250.25
Phase thickness (μm)  0.250.250.250.25
Program 60C (2min) => 5C/min => 160C (1min) => 10C/min => 230C (12min)60C(10min) => 4C/min => 220C(10min) => 1C/min => 240C60 0C (10 min) 4 K/min -> 220 0C (10 min) 1 K/min -> 240 0C60C(10min) => 4C/min => 220C(10min) => 1C/min => 240C60C(10min) => 4C/min => 220C(10min) => 1C/min => 240C
I 1208.1188.1188.1188.1188.
ReferenceMockute and Judzentiene, 2003Viljoen, van Vuuren, et al., 2003Baser, Demirci, et al., 2002Baser, Demirei, et al., 2002Baser, Nuriddinov, et al., 2002
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase HP-InnowaxHP-Innowax FSCSupelcowax-10HP-FFAPInnowax FSC
Column length (m) 60.60.60.25.60.
Carrier gas HeN2HeHe 
Substrate      
Column diameter (mm) 0.250.250.250.220.25
Phase thickness (μm) 0.250.250.25 0.25
Program 60 0C (10 min) 4 K/min -> 220 0C (10 min) 1 K/min -> 240 0C60C(10min) => 4C/min => 220C(10min) => 1C/min => 240C40C (7min) => 4C/min => 150C => 8C/min => 240C (10min)60C(2min) => 5C/min => 160C(1min) => 10C/min => 230C(12min)60C(10min) => 4C/min => 220C(10min) => 1C/min => 240C
I 1188.1188.1179.1208.1188.
ReferenceDemirci, Baser, et al., 2002Hüsnü Can Baser, Demirci, et al., 2002Kim and Lee, 2002Mockute and Judzentiene, 2002Tunalier, Kirimer, et al., 2002
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase HP-InnowaxHP-InnowaxHP-Innowax FSCInnowaxInnowax FSC
Column length (m) 60.60.60.60.60.
Carrier gas HeHeHeHeHe
Substrate      
Column diameter (mm) 0.250.250.250.250.25
Phase thickness (μm) 0.250.250.250.250.25
Program 60 0C (10 min) 10 K/min -> 220 0C (10 min) 1K/min -> 240 0C60 0C (10 min) 4 K/min -> 220 0C (10 min) 1 K/min -> 240 0C60C(10min) => 4C/min => 220C(10min) => 1C/min => 240C60C(10min) => 4C/min => 200C(10min) => 1C/min => 240C60C(10min) => 4C/min => 220C(10min) => 1C/min => 240C
I 1188.1188.1188.1188.1188.
ReferenceBaser, Demirci, et al., 2001Gören, Demirci, et al., 2001Kirimer N., Tabanea N., et al., 2001Özcan, Akgül, et al., 2001Tabanca N., Demirci F., et al., 2001
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase HP-Innowax FSCFFAPHP-WaxInnowaxInnowax
Column length (m) 60.50.60.60.60.
Carrier gas   HeHeHe
Substrate      
Column diameter (mm) 0.250.20.250.250.25
Phase thickness (μm) 0.250.330.250.250.25
Program 60C(10min) => 4C/min => 220C(10min) => 1C/min => 240C60C(1min) => 2.5C/min => 115C => 1C/min => 210C(30min)50 0C 3 K/min -> 200 0C 8 K/min -> 280 0C60 0C (10 min) 4 K/min -> 220 0C (10 min) 1 K/min -> 240 0C60 0C (10 min) 4 K/min -> 220 0C (10 min) 1 K/min -> 240 0C
I 1188.1168.1183.1188.1188.
ReferenceTabanca, Kirimer, et al., 2001Tucker, Maciarello, et al., 2001Usubillaga, Aparicio, et al., 2001Baser, Özek, et al., 2000Baser, Tabanca, et al., 2000
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase RTX-WaxRTX-WaxRTX-WaxInnowax FSCFFAP
Column length (m) 30.30.30.60.25.
Carrier gas HeHeHeHeH2
Substrate      
Column diameter (mm) 0.250.250.250.250.2
Phase thickness (μm) 0.250.250.250.250.33
Program not specifiednot specifiednot specified60C(10 min) => 4C/min => 220C(10min) => 1C/min => 240C40C(5min) => 4C/min => 170C => 8C/min => 240C (12min)
I 1148.1156.1158.1188.1167.
ReferenceKéita, Vincent, et al., 2000Kéita, Vincent, et al., 2000Kéita, Vincent, et al., 2000Kirimer, Tabanca, et al., 2000Reddy, Angers, et al., 1998
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillary
Active phase Carbowax 20MCP-Wax 52CB
Column length (m) 60.50.
Carrier gas He 
Substrate   
Column diameter (mm) 0.250.32
Phase thickness (μm) 0.25 
Program not specifiednot specified
I 1183.1155.
ReferenceTirado, Stashenko, et al., 1995Vernin, 1991
Comment MSDC-RI MSDC-RI

References

Go To: Top, Normal alkane RI, 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.

Akin, Saracoglu, et al., 2012
Akin, M.; Saracoglu, H.T.; Demirci, B.; Baser, K.H.C., Chemical composition and antibacterial activity of essential oils from different parts of Buplerum rotundifolium L., Rec. Nat. Prod., 2012, 6, 3, 316-320. [all data]

Zeng, Xie, et al., 2011
Zeng, Z.; Xie, R.; Zhang, T.; Zhang, H.; Chen, J.Y., Analysis of volatile compositions of Magnolia biondii Pamp by steam distillation and Headspace solid phase micro-extraction, J. Oleo Sci., 2011, 60, 12, 591-596, https://doi.org/10.5650/jos.60.591 . [all data]

Polatoglu, Demirci, et al., 2010
Polatoglu, K.; Demirci, F.; Demirci, B.; Goren, N.; Baser, K.H.C., Antimicrobial activity and essential oil composition of a new T. argyrophyllum (C. Koch) Tvzel var. argyrophyllium chemotype, J. Oleo Sci., 2010, 59, 6, 307-313, https://doi.org/10.5650/jos.59.307 . [all data]

Baser, Demirci, et al., 2009
Baser, K.H.C.; Demirci, B.; Kurkcuoglu, M.; Satin, F.; Tumen, G., Comparative morphological and phytochemical charactertization of Salvia cadmica and S. smyrnaea, Pak. J. Bot., 2009, 41, 4, 1545-1555. [all data]

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Kaack, K.; Christensen, L.P., Effect of packing materials and storage time on volatile compounds in tea processes from flowers of black elder (Sambucus nigra L.), Eur. Food Res. Technol., 2008, 227, 4, 1259-1273, https://doi.org/10.1007/s00217-008-0844-8 . [all data]

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Kaya, Benirci, et al., 2007
Kaya, A.; Benirci, B.; Baser, K.H.C., Micromorphology of glandular trichomes of Nepeta congesta Fisch. Mey. var. congesta (LAmiaceae) and chemical analysis of the essential oils, South African J. Botany, 2007, 73, 1, 29-34, https://doi.org/10.1016/j.sajb.2006.05.004 . [all data]

Narain, Galvao, et al., 2007
Narain, N.; Galvao, M.S.; Madruga, M.S., Volatile compounds captured through purge and trap technique in caja-umbu (Spondias sp.) fruits during maturation, Food Chem., 2007, 102, 3, 726-731, https://doi.org/10.1016/j.foodchem.2006.06.003 . [all data]

Tabanca, Demirci, et al., 2007
Tabanca, N.; Demirci, F.; Demirci, B.; Wedge, D.E.; Baser, K.H.C., Composition, enantiomeric distribution, and antimicrobial activity of Tanacetum argenteum subsp. ?abellifolium essential oil, J. Pharm. Biomed. Anal., 2007, 45, 5, 714-719, https://doi.org/10.1016/j.jpba.2007.08.006 . [all data]

Tabanca N., Demirci B., et al., 2007
Tabanca N.; Demirci B.; Crockett S.L.; Baser K.H.C.; Wedge D.E., Chemical composition and antifungal activity of Arnica longifolia, Aster hesperius, and Chrysothamnus nauseosus essential oils, J. Agric. Food Chem., 2007, 55, 21, 8430-8435, https://doi.org/10.1021/jf071379c . [all data]

Baser, Özek, et al., 2006
Baser, K.H.C.; Özek, G.; Özek, T.; Duran, A.; Duman, H., Composition of the essential oils of Rhabdosciadium oligocarpum (Post ex Boiss.) Hedge et Lamond and Rhabdosciadium microcalycinum Hand.-Mazz., Flavour Fragr. J., 2006, 21, 4, 650-655, https://doi.org/10.1002/ffj.1639 . [all data]

Demirci B., Baser K.H.C., et al., 2006
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Erdurak, Coskun, et al., 2006
Erdurak, C.S.; Coskun, M.; Demirci, B.; Baser, K.H.C., Composition of the essential oil of fruits and roots of Ferulago isaurica Pesmen and F. syriaca Boiss. (Umbelliferae) from Turkey, Flavour Fragr. J., 2006, 21, 1, 118-121, https://doi.org/10.1002/ffj.1540 . [all data]

Kürkçüoglu, Hüsnü Can Baser, et al., 2006
Kürkçüoglu, M.; Hüsnü Can Baser, K.; Iscan, G.; Malyer, H.; Kaynak, G., Composition and anticandidal activity of the essential oil of Chaerophyllum byzantinum Boiss., Flavour Fragr. J., 2006, 21, 1, 115-117, https://doi.org/10.1002/ffj.1539 . [all data]

Lorenzo, Loayza, et al., 2006
Lorenzo, D.; Loayza, I.; Dellacassa, E., Composition and chiral characterization of the essential oil of Buddleja tucumanensis from Bolivia, Flavour Fragr. J., 2006, 21, 1, 95-98, https://doi.org/10.1002/ffj.1526 . [all data]

Suleimenov Y.M., Atazhanova G.A., et al., 2006
Suleimenov Y.M.; Atazhanova G.A.; Ozek T.; Demirci B.; Kulyyasov A.T.; Adekenov S.M.; Baser K.H.C., Essential oil composition of three species of Achillea from Kazakhstan, Chem. Nat. Compd. (Engl. Transl.), 2006, 37, 5, 447-450, https://doi.org/10.1023/A:1014471326724 . [all data]

Tabanca, Demirci, et al., 2006
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Tabanca, Demirci, et al., 2006, 2
Tabanca, N.; Demirci, B.; Can Baser, K.H.; Aytac, Z.; Ekici, M.; Khan, S.I.; Jacob, M.R.; Wedge, D.E., Chemical Composition and Antifungal Activity of Salvia macrochlamys and Salvia recognita Essential Oils, J. Agric. Food Chem., 2006, 54, 18, 6593-6597, https://doi.org/10.1021/jf0608773 . [all data]

Tosun, Kürkcüoglu, et al., 2006
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Vichi, Guadayol, et al., 2006
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Demirci, Demirci, et al., 2005
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Tabanca, Demirci, et al., 2005
Tabanca, N.; Demirci, B.; Kirimer, N.; Baser, K.H.C.; Bedir, E.; Khand, I.A.; Wedge, D.E., Gas chromatographic-mass spectrometric analysis of essential oils from Pimpinella aurea, Pimpinella corymbosa, Pimpinella peregrina and Pimpinella puberula gathered from Eastern and Southern Turkey, J. Chromatogr. A, 2005, 1097, 1-2, 192-198, https://doi.org/10.1016/j.chroma.2005.10.047 . [all data]

Demirci, Paper, et al., 2004
Demirci, F.; Paper, D.H.; Franz, G.; Hüsnü Can Baser, K., Investigation of the origanum onites L. essential oil using the Chorioallantoic Membrane (CAM) assay, J. Agric. Food Chem., 2004, 52, 2, 251-254, https://doi.org/10.1021/jf034850k . [all data]

Kivcak, Akay, et al., 2004
Kivcak, B.; Akay, S.; Demirci, B.; Baser, K.H.C., Chemical composition of essential oils from leaves and twigs of Pistacia lentiscus, Pistacia lentiscus var. chia, and Pistacia terebinthus from Turkey, Pharm. Biol, 2004, 42, 4-5, 360-366, https://doi.org/10.1080/13880200490519677 . [all data]

Selli, Kürkçüoglu, et al., 2004
Selli, S.; Kürkçüoglu, M.; Kafkas, E.; Cabaroglu, T.; Demirci, B.; Baser, K.H.C.; Canbas, A., Volatile flavour components of mandarin wine obtained from clementines (Citrus reticula Blanco) extracted by solid-phase microextraction, Flavour Fragr. J., 2004, 19, 5, 413-416, https://doi.org/10.1002/ffj.1323 . [all data]

Vinogradov, 2004
Vinogradov, B.A., Production, composition, properties and application of essential oils, 2004, retrieved from http://viness.narod.ru. [all data]

Demirci, Baser, et al., 2003
Demirci, B.; Baser, K.H.C.; Yildiz, B.; Bahcecioglu, Z., Composition of the essential oils of six endemic Salvia spp. from Turkey, Flavour Fragr. J., 2003, 18, 2, 116-121, https://doi.org/10.1002/ffj.1173 . [all data]

Demirci, Demirci, et al., 2003
Demirci, B.; Demirci, F.; Baser, K.H.C., Composition of the essential oil of Cotinus coggygria Scop. from Turkey, Flavour Fragr. J., 2003, 18, 1, 43-44, https://doi.org/10.1002/ffj.1149 . [all data]

Edris, Shalaby, et al., 2003
Edris, A.E.; Shalaby, A.; Fadel, H.M., Effect of organic agriculture practices on the volatile aroma components of some essential oil plants growing in Egypt II: sweet Marjoram (Origanum marjorana L.) essential oil, Flavour Fragr. J., 2003, 18, 4, 345-351, https://doi.org/10.1002/ffj.1235 . [all data]

Kaya, Demirci, et al., 2003
Kaya, A.; Demirci, B.; Baser, K.H.C., The essential oil of Seseli tortuosum L. growing in Turkey, Flavour Fragr. J., 2003, 18, 2, 159-161, https://doi.org/10.1002/ffj.1162 . [all data]

Kürkcüoglu, Demirci, et al., 2003
Kürkcüoglu, M.; Demirci, B.; Tabanca, N.; Özek, T.; Baser, K.H.C., The essential oil of Achillea falcata L., Flavour Fragr. J., 2003, 18, 3, 192-194, https://doi.org/10.1002/ffj.1176 . [all data]

Mockute and Judzentiene, 2003
Mockute, D.; Judzentiene, A., Variability of the essential oils composition of Achillea millefolium ssp. millefolium growing wild in Lithuania, Biochem. Syst. Ecol., 2003, 31, 9, 1033-1045, https://doi.org/10.1016/S0305-1978(03)00066-8 . [all data]

Viljoen, van Vuuren, et al., 2003
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Notes

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