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Van Den Dool and Kratz 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 BP-20HP-20MHP-20MRTX-WaxRTX-Wax
Column length (m) 50.50.50.60.60.
Carrier gas HeHeHeHeHe
Substrate      
Column diameter (mm) 0.220.20.20.220.22
Phase thickness (mum) 0.250.20.20.250.25
Tstart (C) 60.70.70.60.60.
Tend (C) 220.180.180.230.230.
Heat rate (K/min) 2.4.4.2.2.
Initial hold (min)  4.4.  
Final hold (min) 20.10.15.35.35.
I 1459.1438.1440.1460.1460.
ReferenceLesueur, de Rocca Serra, et al., 2007Maksimovic, Vidic, et al., 2007Maric, Jukic, et al., 2007Paolini J., Costa J., et al., 2007Paolini, Muselli, et al., 2007
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase HP-InnowaxDB-WaxBP-20Polyethylene GlycolHP-Wax
Column length (m) 30.30.50.30.30.
Carrier gas HeHeHeN2N2
Substrate      
Column diameter (mm) 0.250.250.220.320.25
Phase thickness (mum) 0.50.250.250.250.25
Tstart (C) 60.40.60.50.60.
Tend (C) 260.250.220.230.220.
Heat rate (K/min) 3.3.2.2.5.
Initial hold (min)  5. 10.10.
Final hold (min)  10.20.15. 
I 1457.1459.1453.1463.1461.
ReferenceSaroglou, Marin, et al., 2007Aromdee and Sriubolmas, 2006Boti, Bighelli, et al., 2006Dob, Dahmane, et al., 2006Flamini, Tebano, et al., 2006
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase Supelcowax-10Supelcowax-10BP-20DB-WaxDB-Wax
Column length (m) 30.30.50.60.30.
Carrier gas HeHeHeN2He
Substrate      
Column diameter (mm) 0.20.20.220.250.25
Phase thickness (mum) 0.20.20.250.250.25
Tstart (C) 70.70.60.70.40.
Tend (C) 220.220.220.230.250.
Heat rate (K/min) 3.3.2.2.3.
Initial hold (min)    2. 
Final hold (min) 15.15.20.20.20.
I 1455.1457.1458.1466.1449.
ReferencePinto, Pina-Vaz, et al., 2006Salgueiro L.R., Pinto E., et al., 2006Boti J.B., Koukoua G., et al., 2005Choi, 2005Fanciullino, Gancel, et al., 2005
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase InnowaxRTX-WaxDB-WaxHP-InnowaxDB-Wax
Column length (m) 50.60.30.30.30.
Carrier gas HeHeN2HeHe
Substrate      
Column diameter (mm) 0.250.220.250.250.25
Phase thickness (mum) 0.250.250.250.50.25
Tstart (C) 50.60.60.60.40.
Tend (C) 220.230.220.260.200.
Heat rate (K/min) 2.2.5.3.4.
Initial hold (min) 3. 10. 5.
Final hold (min) 20.35.  20.
I 1442.1460.1458.1468.1463.
ReferenceLee, Lee, et al., 2005Paolini, Costa, et al., 2005Bertoli, Menichini, et al., 2004Grujic-Jovanovic, Skaltsa, et al., 2004Yu, Kim, et al., 2004
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-WaxCarbowax 20MRTX-WaxDB-WaxDB-Wax
Column length (m) 30.25.60.60.60.
Carrier gas HeHeHeN2H2
Substrate      
Column diameter (mm) 0.250.250.220.250.32
Phase thickness (mum) 0.250.30.250.250.25
Tstart (C) 40.50.60.70.40.
Tend (C) 200.200.230.230.245.
Heat rate (K/min) 4.3.2.2.1.5
Initial hold (min) 5.1. 2. 
Final hold (min) 20.20.45.20.20.
I 1463.1457.1450.1463.1448.
ReferenceYu, Kim, et al., 2004, 2Bicchi, Rubiolo, et al., 2003Cavalli, Tomi, et al., 2003Choi, 2003Gancel, Ollitrault, et al., 2003
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase RTX-WaxHP-InnowaxHP-InnowaxAT-WaxHP-Innowax
Column length (m) 30.30.30.60.30.
Carrier gas HeHeHeHeHe
Substrate      
Column diameter (mm) 0.250.250.250.320.25
Phase thickness (mum) 0.250.50.50.250.50
Tstart (C) 45.60.60.65.60.
Tend (C) 250.260.260.250.260.
Heat rate (K/min) 3.3.3.2.3.
Initial hold (min) 6.  10. 
Final hold (min)    60. 
I 1441.1457.1456.1447.1456.
ReferenceShellie, Marriott, et al., 2003Skaltsa, Demetzos, et al., 2003Tzakou, Couladis, et al., 2003Pino, Marbot, et al., 2002Couladis, Tzakou, et al., 2001
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-WaxDB-WaxDB-WaxDB-WaxHP-20M
Column length (m) 60.60.60.60.50.
Carrier gas HeHeHeN2 
Substrate      
Column diameter (mm) 0.500.530.530.250.2
Phase thickness (mum) 1.01.01.00.250.2
Tstart (C) 60.50.50.70.70.
Tend (C) 225.220.220.230.180.
Heat rate (K/min) 3.3.3.2.4.
Initial hold (min)    2.4.
Final hold (min)    20.10.
I 1468.1468.1468.1466.1438.
ReferenceBrophy, Goldsack, et al., 2000Brophy, Goldsack, et al., 2000, 2Brophy, Goldsack, et al., 2000, 3Choi and Sawamura, 2000Milos and Radonic, 2000
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-WaxDB-WaxInnowaxDB-WaxSP-1000
Column length (m) 60.60.60.60.85.
Carrier gas HeHeHeHeHe
Substrate      
Column diameter (mm) 0.530.530.250.320.5
Phase thickness (mum)   0.25  
Tstart (C) 50.50.50.35.60.
Tend (C) 220.220.180.220.225.
Heat rate (K/min) 3.3.2.53.3.
Initial hold (min)   5.  
Final hold (min)      
I 1468.1468.1458.1458.1468.
ReferenceBrophy, Goldsack, et al., 1999Brophy, Goldsack, et al., 1999, 2Stashenko, Cervantes, et al., 1999Brophy, Forster, et al., 1998Brophy, Forster, et al., 1998, 2
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-WaxDB-WaxCarbowax 20MDB-WaxSP-1000
Column length (m) 60.60.25.60.85.
Carrier gas HeHe HeHe
Substrate      
Column diameter (mm) 0.320.320.250.320.5
Phase thickness (mum)   0.3  
Tstart (C) 65.35.50.65.65.
Tend (C) 225.220.200.225.225.
Heat rate (K/min) 3.3.3.3.3.
Initial hold (min)   1.  
Final hold (min)   20.  
I 1468.1468.1443.1468.1468.
ReferenceBrophy, Goldsack, et al., 1998Brophy, Goldsack, et al., 1998, 2Bicchi, Fresia, et al., 1997Brophy, Goldsack, et al., 1997Brophy, Goldsack, et al., 1997, 2
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase BP-20DB-WaxDB-WaxCarbowax 20MDB-Wax
Column length (m) 50.25.60.50.60.
Carrier gas HeHeHeHeHe
Substrate      
Column diameter (mm) 0.220.250.320.20.20
Phase thickness (mum) 0.250.250.50.20.20
Tstart (C) 60.50.50.30.70.
Tend (C) 230.240.225.170.180.
Heat rate (K/min) 2.4.2.4.2.
Initial hold (min)  3. 2.5.
Final hold (min) 35. 20.20. 
I 1455.1481.1456.1456.1475.
ReferenceMariotti, Costa, et al., 1997Möllenbeck, König, et al., 1997Sagrero-Nieves, Bartley, et al., 1997Píry, Príbela, et al., 1995Stashenko, Wiame, et al., 1995
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type Capillary
Active phase Carbowax 20M
Column length (m) 60.
Carrier gas He
Substrate  
Column diameter (mm) 0.32
Phase thickness (mum)  
Tstart (C) 50.
Tend (C) 225.
Heat rate (K/min) 1.5
Initial hold (min)  
Final hold (min) 80.
I 1453.
ReferenceChen and Ho, 1988
Comment MSDC-RI

References

Go To: Top, Van Den Dool and Kratz 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.

Lesueur, de Rocca Serra, et al., 2007
Lesueur, D.; de Rocca Serra, D.; Bighelli, A.; Hoi, T.M.; Ban, N.K.; Thai, T.H.; Casanova, J., Chemical composition and antibacterial activity of the essential oil of Michelia foveolata Merryll ex Dandy from Vietnam, Flavour Fragr. J., 2007, 22, 4, 317-321, https://doi.org/10.1002/ffj.1799 . [all data]

Maksimovic, Vidic, et al., 2007
Maksimovic, M.; Vidic, D.; Milos, M.; Solic, M.E.; Abadzic, S.; Siljak-Yakovlev, S., Effect of the environmental conditions on essential oil profile in two Dinaric Salvia species: S. brachyodon Vandas and S. officinalis L., Biochem. Syst. Ecol., 2007, 35, 8, 473-478, https://doi.org/10.1016/j.bse.2007.02.005 . [all data]

Maric, Jukic, et al., 2007
Maric, S.; Jukic, M.; Katalinic, V.; Milos, M., Comparison of chemical composition and free radical scavenging ability of glycosidically bound and free volatiles from Bosnian pine (Pinus heldreichii Christ. var. leucodermis), Molecules, 2007, 12, 3, 283-289, https://doi.org/10.3390/12030283 . [all data]

Paolini J., Costa J., et al., 2007
Paolini J.; Costa J.; Bernardini A.F., Analysis of the essential oil from the roots of Eupatorium cannabinum subsp corsicum (L.) by GC, GC-MS and C-13-NMR, Phytochem. Anal., 2007, 18, 3, 235-244, https://doi.org/10.1002/pca.977 . [all data]

Paolini, Muselli, et al., 2007
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Saroglou, Marin, et al., 2007
Saroglou, V.; Marin, P.D.; Rancic, A.; Veljic, M.; Skaltsa, H., Composition and antimicrobial activity of the essential oil of six Hypericum species from Serbia, Biochem. Syst. Ecol., 2007, 35, 3, 146-152, https://doi.org/10.1016/j.bse.2006.09.009 . [all data]

Aromdee and Sriubolmas, 2006
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Boti, Bighelli, et al., 2006
Boti, J.B.; Bighelli, A.; Cavaleiro, C.; Salgueiro, L.; Casanova, J., Chemical variability of Juniperus oxycedrus ssp. oxycedrus berry and leaf oils from Corsica, analysed by combination of GC, GC-MS and 13C-NMR, Flavour Fragr. J., 2006, 21, 2, 268-273, https://doi.org/10.1002/ffj.1579 . [all data]

Dob, Dahmane, et al., 2006
Dob, T.; Dahmane, D.; Agli, M.; Chelghoum, C., Essential oil composition of Lavandula stoechas from Algeria, Pharm. Biol., 2006, 44, 1, 60-64, https://doi.org/10.1080/13880200500496421 . [all data]

Flamini, Tebano, et al., 2006
Flamini, G.; Tebano, M.; Cioni, P.L.; Bagci, Y.; Dural, H.; Ertugrul, K.; Uysal, T.; Savran, A., A multivariate statistical approach to Centaurea classification using essential oil composition data of some species from Turkey, Pl. Syst. Evol., 2006, 261, 1-4, 217-228, https://doi.org/10.1007/s00606-006-0448-3 . [all data]

Pinto, Pina-Vaz, et al., 2006
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Salgueiro L.R., Pinto E., et al., 2006
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Boti J.B., Koukoua G., et al., 2005
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Choi, 2005
Choi, H.-S., Characteristic odor components of kumquat (Fortunella japonica Swingle) peel oil, J. Agric. Food Chem., 2005, 53, 5, 1642-1647, https://doi.org/10.1021/jf040324x . [all data]

Fanciullino, Gancel, et al., 2005
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Lee, J.-G.; Lee, C.-G.; Kwag, J.-J.; Buglass, A.J.; Lee, G.-H., Determination of optimum conditions for the analysis of volatile components in pine needles by double-shot pyrolysis-gas chromatography-mass spectrometry, J. Chromatogr. A, 2005, 1089, 1-2, 227-234, https://doi.org/10.1016/j.chroma.2005.06.060 . [all data]

Paolini, Costa, et al., 2005
Paolini, J.; Costa, J.; Bernardini, A., Analysis of the essential oil from aerial parts of Eupatorium cannabinum subsp. corsicum (L.) by gas chromatography with electron impact and chemical ionization mass spectrometry, J. Chromatogr. A, 2005, 1076, 1-2, 170-178, https://doi.org/10.1016/j.chroma.2005.03.131 . [all data]

Bertoli, Menichini, et al., 2004
Bertoli, A.; Menichini, F.; Noccioli, C.; Morelli, I.; Pistelli, L., Volatile constituents of different organs of Psoralea bituminosa L., Flavour Fragr. J., 2004, 19, 2, 166-171, https://doi.org/10.1002/ffj.1315 . [all data]

Grujic-Jovanovic, Skaltsa, et al., 2004
Grujic-Jovanovic, S.; Skaltsa, H.D.; Marin, P.; Sokovic, M., Composition and antibacterial activity of the essential oil of six Stachys species from Serbia, Flavour Fragr. J., 2004, 19, 2, 139-144, https://doi.org/10.1002/ffj.1275 . [all data]

Yu, Kim, et al., 2004
Yu, E.J.; Kim, T.H.; Kim, K.H.; Lee, H.J., Aroma-active compounds of Pinus densiflora (red pine) needles, Flavour Fragr. J., 2004, 19, 6, 532-537, https://doi.org/10.1002/ffj.1337 . [all data]

Yu, Kim, et al., 2004, 2
Yu, E.J.; Kim, T.H.; Kim, K.H.; Lee, H.J., Characterization of aroma-active compounds of Abies nephrolepis (Khingan fir) needles using aroma extract dilution analysis, Flavour Fragr. J., 2004, 19, 1, 74-79, https://doi.org/10.1002/ffj.1314 . [all data]

Bicchi, Rubiolo, et al., 2003
Bicchi, C.; Rubiolo, P.; Camargo, E.E.S.; Vilegas, W.; Gracioso, J.S.; Brito, A.R.M.S., Components of Turnera diffusa Willd. var. afrodisiaca (Ward) Urb. essential oil, Flavour Fragr. J., 2003, 18, 1, 59-61, https://doi.org/10.1002/ffj.1155 . [all data]

Cavalli, Tomi, et al., 2003
Cavalli, J.-F.; Tomi, F.; Bernardini, A.-F.; Casanova, J., Composition and chemical variability of the bark oil of Cedrelopsis grevei H. Baillon from Madagascar, Flavour Fragr. J., 2003, 18, 6, 532-538, https://doi.org/10.1002/ffj.1263 . [all data]

Choi, 2003
Choi, H.-S., Character impact odorants of Citrus Hallabong [(C. unshiu Marcov × C. sinensis Osbeck) × C. reticulata Blanco] cold-pressed peel oil, J. Agric. Food Chem., 2003, 51, 9, 2687-2692, https://doi.org/10.1021/jf021069o . [all data]

Gancel, Ollitrault, et al., 2003
Gancel, A.-L.; Ollitrault, P.; Froelicher, Y.; Tomi, F.; Jacquemond, C.; Luro, F.; Brillouet, J.-M., Leaf volatile compounds of seven citrus somatic tetraploid hybrids sharing willow leaf mandarin (Citrus deliciosa Ten.) as their common parent, J. Agric. Food Chem., 2003, 51, 20, 6006-6013, https://doi.org/10.1021/jf0345090 . [all data]

Shellie, Marriott, et al., 2003
Shellie, R.; Marriott, P.; Zappia, G.; Mondello, L.; Dugo, G., Interactive use of linear retention indices on polar and apolar columns with an MS-Library for reliable characterization of Australian tea tree and other Melaleuca sp. oils, J. Essent. Oil Res., 2003, 15, 5, 305-312, https://doi.org/10.1080/10412905.2003.9698597 . [all data]

Skaltsa, Demetzos, et al., 2003
Skaltsa, H.D.; Demetzos, C.; Lazari, D.; Sokovic, M., Essential oil analysis and antimicrobial activity of eight Stachys species from Greece, Phytochemistry, 2003, 64, 3, 743-752, https://doi.org/10.1016/S0031-9422(03)00386-8 . [all data]

Tzakou, Couladis, et al., 2003
Tzakou, O.; Couladis, M.; Slavkovska, V.; Mimica-Dukic, N.; Jancic, R., The essential oil composition of Salvia brachyodon Vandas, Flavour Fragr. J., 2003, 18, 1, 2-4, https://doi.org/10.1002/ffj.1132 . [all data]

Pino, Marbot, et al., 2002
Pino, J.A.; Marbot, R.; Vázquez, C., Characterization of volatile in Cosa Rican Guava [Psidium friedrichsthalianum (Berg) Niedenzu] fruit, J. Agric. Food Chem., 2002, 50, 21, 6023-6026, https://doi.org/10.1021/jf011456i . [all data]

Couladis, Tzakou, et al., 2001
Couladis, M.; Tzakou, O.; Stojanovic, D.; Mimica-Dukic, N.; Jancic, R., The essential oil composition of Salvia argentea L., Flavour Fragr. J., 2001, 16, 3, 227-229, https://doi.org/10.1002/ffj.989 . [all data]

Brophy, Goldsack, et al., 2000
Brophy, J.J.; Goldsack, R.J.; Forster, P.I., Essential oils of the genus Lophostemon (Myrtaceae), Flavour Fragr. J., 2000, 15, 1, 17-20, https://doi.org/10.1002/(SICI)1099-1026(200001/02)15:1<17::AID-FFJ859>3.0.CO;2-D . [all data]

Brophy, Goldsack, et al., 2000, 2
Brophy, J.; Goldsack, R.J.; Bean, A.R.; Forster, P.I.; Lepschi, B.J., Leaf essential oils of the genus Leptospermum (Myrtaceae) in eastern Australia. Part 6. Leptospermum polygalifolium and allies, Flavour Fragr. J., 2000, 15, 4, 271-277, https://doi.org/10.1002/1099-1026(200007/08)15:4<271::AID-FFJ910>3.0.CO;2-E . [all data]

Brophy, Goldsack, et al., 2000, 3
Brophy, J.J.; Goldsack, R.J.; Punruckvong, A.; Bean, A.R.; Forster, P.I.; Lepschi, B.J.; Doran, J.C.; Rozefelds, A.C., Leaf essential oils of the genus Leptospermum (Myrtaceae) in eastern Australia. Part 7. Leptospermum petersonii, L. liversidgei and allies, Flavour Fragr. J., 2000, 15, 5, 342-351, https://doi.org/10.1002/1099-1026(200009/10)15:5<342::AID-FFJ924>3.0.CO;2-V . [all data]

Choi and Sawamura, 2000
Choi, H.-S.; Sawamura, M., Composition of the essential oil of Citrus tamurana Hort. ex Tanaka (Hyuganatsu), J. Agric. Food Chem., 2000, 48, 10, 4868-4873, https://doi.org/10.1021/jf000651e . [all data]

Milos and Radonic, 2000
Milos, M.; Radonic, A., Gas chromatography mass spectral analysis of free and glycosidically bound volatile compounds from Juniperus oxycedrus L. growing wild in Croatia, Food Chem., 2000, 68, 3, 333-338, https://doi.org/10.1016/S0308-8146(99)00192-2 . [all data]

Brophy, Goldsack, et al., 1999
Brophy, J.J.; Goldsack, R.J.; Punruckvong, A.; Forster, P.I., The leaf essential oils of Pilidiostigma (Myrtaceae), Flavour Fragr. J., 1999, 14, 2, 143-146, https://doi.org/10.1002/(SICI)1099-1026(199903/04)14:2<143::AID-FFJ798>3.0.CO;2-P . [all data]

Brophy, Goldsack, et al., 1999, 2
Brophy, J.J.; Goldsack, R.J.; Bean, A.R.; Forster, P.I.; Lepschi, B.J., Leaf essential oils of the genus Leptospermum (Myrtaceae) in eastern Australia. Part 5. Leptospermum continentale and allies, Flavour Fragr. J., 1999, 14, 2, 98-104, https://doi.org/10.1002/(SICI)1099-1026(199903/04)14:2<98::AID-FFJ797>3.0.CO;2-V . [all data]

Stashenko, Cervantes, et al., 1999
Stashenko, E.E.; Cervantes, M.; Combariza, Y.; Fuentes, H.; Martínez, J.R., HRGC/FID and HRGC/MSD analysis of the secondary metabolites obtained by different extraction methods from Lepechinia schiedeana, an in vitro evaluation of its antioxidant activity, J. Hi. Res. Chromatogr., 1999, 22, 6, 343-349, https://doi.org/10.1002/(SICI)1521-4168(19990601)22:6<343::AID-JHRC343>3.0.CO;2-J . [all data]

Brophy, Forster, et al., 1998
Brophy, J.J.; Forster, P.I.; Goldsack, R.J., Esssential oils of some Australian monimiaceae, Flavour Fragr. J., 1998, 13, 4, 273-276, https://doi.org/10.1002/(SICI)1099-1026(1998070)13:4<273::AID-FFJ745>3.0.CO;2-O . [all data]

Brophy, Forster, et al., 1998, 2
Brophy, J.J.; Forster, P.I.; Goldsack, R.J., The essential oils of three unusual Eucalypts: Eucalyptus curtisii, E. rubiginosa and E. tenuipes (Myrtaceae), Flavour Fragr. J., 1998, 13, 2, 87-89, https://doi.org/10.1002/(SICI)1099-1026(199803/04)13:2<87::AID-FFJ699>3.0.CO;2-Y . [all data]

Brophy, Goldsack, et al., 1998
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Brophy, Goldsack, et al., 1998, 2
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Notes

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